*HEADER    HYDROLASE                               24-SEP-99   1B2I              
*TITLE     KRINGLE 2 DOMAIN OF HUMAN PLASMINOGEN: NMR SOLUTION                   
*TITLE    2 STRUCTURE OF TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC             
*TITLE    3 ACID (AMCHA) COMPLEX                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PLASMINOGEN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: KRINGLE 2 DOMAIN;                                          
*COMPND   5 EC: 3.4.21.7;                                                        
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: C181T, E182S, C188G                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PQE-8                                     
*KEYWDS    SERINE PROTEASE, FIBRINOLYSIS, LYSINE-BINDING DOMAIN,                 
*KEYWDS   2 PLASMINOGEN, KRINGLE 2, HYDROLASE                                    
*EXPDTA    NMR                                                                   
*AUTHOR    D.N.MARTI,J.SCHALLER,M.LLINAS                                         
*REVDAT   1   19-NOV-99 1B2I    0                                                


{  Distance Constraints }                                                       
ASSIGN (RESID 29  AND NAME HN   ) (RESID 29  AND NAME HE1  )    5.0   1.5   1.5 
ASSIGN (RESID 29  AND NAME HZ2  ) (RESID 29  AND NAME HE1  )    3.3   1.0   1.0 
ASSIGN (RESID 29  AND NAME HD1  ) (RESID 29  AND NAME HE1  )    2.9   0.9   0.9 
ASSIGN (RESID 53  AND NAME HN   ) (RESID 29  AND NAME HE1  )    3.9   1.2   1.2 
ASSIGN (RESID 49  AND NAME HD1* ) (RESID 29  AND NAME HE1  )    5.0   1.5   1.5 
ASSIGN (RESID 60  AND NAME HN   ) (RESID 64  AND NAME HE1  )    4.4   1.3   1.3 
ASSIGN (RESID 58  AND NAME HN   ) (RESID 64  AND NAME HE1  )    3.8   1.1   1.1 
ASSIGN (RESID 64  AND NAME HD1  ) (RESID 64  AND NAME HE1  )    2.9   0.9   0.9 
ASSIGN (RESID 64  AND NAME HZ2  ) (RESID 64  AND NAME HE1  )    3.3   1.0   1.0 
ASSIGN (RESID 57  AND NAME HD2  ) (RESID 64  AND NAME HE1  )    3.5   1.0   1.0 
ASSIGN (RESID 60  AND NAME HB*  ) (RESID 64  AND NAME HE1  )    3.3   1.0   1.0 
ASSIGN (RESID 57  AND NAME HD1  ) (RESID 64  AND NAME HE1  )    4.4   1.3   1.3 
ASSIGN (RESID 74  AND NAME HZ2  ) (RESID 74  AND NAME HE1  )    3.0   0.9   0.9 
ASSIGN (RESID 74  AND NAME HH2  ) (RESID 74  AND NAME HE1  )    4.9   1.5   1.5 
ASSIGN (RESID 74  AND NAME HD1  ) (RESID 74  AND NAME HE1  )    2.7   0.8   0.8 
ASSIGN (RESID 26  AND NAME HN   ) (RESID 27  AND NAME HN   )    4.9   1.5   1.5 
ASSIGN (RESID 67  AND NAME HA   ) (RESID 27  AND NAME HN   )    3.3   1.0   1.0 
ASSIGN (RESID 26  AND NAME HB1  ) (RESID 27  AND NAME HN   )    3.4   1.0   1.0 
ASSIGN (RESID 68  AND NAME HG2* ) (RESID 27  AND NAME HN   )    4.5   1.3   1.3 
ASSIGN (RESID 61  AND NAME HD2* ) (RESID 61  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 60  AND NAME HN   ) (RESID 61  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 62  AND NAME HN   ) (RESID 61  AND NAME HN   )    3.0   0.9   0.9 
ASSIGN (RESID 61  AND NAME HA   ) (RESID 61  AND NAME HN   )    3.8   1.1   1.1 
ASSIGN (RESID 60  AND NAME HB*  ) (RESID 61  AND NAME HN   )    3.2   1.0   1.0 
ASSIGN (RESID 61  AND NAME HB1  ) (RESID 61  AND NAME HN   )    2.7   0.8   0.8 
ASSIGN (RESID 76  AND NAME HD2* ) (RESID 61  AND NAME HN   )    3.8   1.1   1.1 
ASSIGN (RESID 60  AND NAME HG*  ) (RESID 61  AND NAME HN   )    3.1   0.9   0.9 
ASSIGN (RESID 61  AND NAME HD1* ) (RESID 61  AND NAME HN   )    4.7   1.4   1.4 
ASSIGN (RESID 79  AND NAME HN   ) (RESID 78  AND NAME HN   )    4.5   1.4   1.4 
ASSIGN (RESID 77  AND NAME HB1  ) (RESID 78  AND NAME HN   )    3.0   0.9   0.9 
ASSIGN (RESID 78  AND NAME HB1  ) (RESID 78  AND NAME HN   )    3.1   0.9   0.9 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 78  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 10  AND NAME HN   ) (RESID 11  AND NAME HN   )    3.0   0.9   0.9 
ASSIGN (RESID 11  AND NAME HG*  ) (RESID 11  AND NAME HN   )    3.9   1.2   1.2 
ASSIGN (RESID 11  AND NAME HB*  ) (RESID 11  AND NAME HN   )    3.3   1.0   1.0 
ASSIGN (RESID 12  AND NAME HN   ) (RESID 11  AND NAME HN   )    3.4   1.0   1.0 
ASSIGN (RESID 82  AND NAME HN   ) (RESID 6   AND NAME HN   )    3.3   1.0   1.0 
ASSIGN (RESID 5   AND NAME HN   ) (RESID 6   AND NAME HN   )    4.7   1.4   1.4 
ASSIGN (RESID 6   AND NAME HB2  ) (RESID 6   AND NAME HN   )    3.4   1.0   1.0 
ASSIGN (RESID 79  AND NAME HG2* ) (RESID 6   AND NAME HN   )    3.8   1.1   1.1 
ASSIGN (RESID 6   AND NAME HG2  ) (RESID 6   AND NAME HN   )    3.4   1.0   1.0 
ASSIGN (RESID 29  AND NAME HZ2  ) (RESID 55  AND NAME HN   )    3.0   0.9   0.9 
ASSIGN (RESID 54  AND NAME HB1  ) (RESID 55  AND NAME HN   )    3.7   1.1   1.1 
ASSIGN (RESID 55  AND NAME HB2  ) (RESID 55  AND NAME HN   )    3.6   1.1   1.1 
ASSIGN (RESID 16  AND NAME HA   ) (RESID 16  AND NAME HN   )    3.5   1.1   1.1 
ASSIGN (RESID 15  AND NAME HA1  ) (RESID 16  AND NAME HN   )    3.0   0.9   0.9 
ASSIGN (RESID 16  AND NAME HB1  ) (RESID 16  AND NAME HN   )    3.9   1.2   1.2 
ASSIGN (RESID 16  AND NAME HB2  ) (RESID 16  AND NAME HN   )    3.1   0.9   0.9 
ASSIGN (RESID 16  AND NAME HG1  ) (RESID 16  AND NAME HN   )    3.9   1.2   1.2 
ASSIGN (RESID 37  AND NAME HD2  ) (RESID 37  AND NAME HN   )    3.4   1.0   1.0 
ASSIGN (RESID 32  AND NAME HE22 ) (RESID 37  AND NAME HN   )    3.6   1.1   1.1 
ASSIGN (RESID 36  AND NAME HB*  ) (RESID 37  AND NAME HN   )    3.8   1.1   1.1 
ASSIGN (RESID 76  AND NAME HN   ) (RESID 77  AND NAME HN   )    4.6   1.4   1.4 
ASSIGN (RESID 64  AND NAME HA   ) (RESID 77  AND NAME HN   )    3.4   1.0   1.0 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 77  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 58  AND NAME HN   ) (RESID 60  AND NAME HN   )    4.2   1.3   1.3 
ASSIGN (RESID 59  AND NAME HN   ) (RESID 60  AND NAME HN   )    3.1   0.9   0.9 
ASSIGN (RESID 65  AND NAME HN   ) (RESID 77  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 56  AND NAME HD22 ) (RESID 60  AND NAME HN   )    3.1   0.9   0.9 
ASSIGN (RESID 56  AND NAME HD21 ) (RESID 60  AND NAME HN   )    3.9   1.2   1.2 
ASSIGN (RESID 60  AND NAME HB*  ) (RESID 60  AND NAME HN   )    2.8   0.8   0.8 
ASSIGN (RESID 76  AND NAME HB1  ) (RESID 77  AND NAME HN   )    2.9   0.9   0.9 
ASSIGN (RESID 76  AND NAME HD2* ) (RESID 77  AND NAME HN   )    4.3   1.3   1.3 
ASSIGN (RESID 22  AND NAME HN   ) (RESID 21  AND NAME HN   )    3.2   1.0   1.0 
ASSIGN (RESID 20  AND NAME HG1  ) (RESID 21  AND NAME HN   )    3.3   1.0   1.0 
ASSIGN (RESID 21  AND NAME HG1  ) (RESID 21  AND NAME HN   )    4.2   1.3   1.3 
ASSIGN (RESID 21  AND NAME HB1  ) (RESID 21  AND NAME HN   )    3.1   0.9   0.9 
ASSIGN (RESID 75  AND NAME HG2  ) (RESID 21  AND NAME HN   )    4.2   1.2   1.2 
ASSIGN (RESID 55  AND NAME HN   ) (RESID 54  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 53  AND NAME HD*  ) (RESID 54  AND NAME HN   )    4.6   1.4   1.4 
ASSIGN (RESID 13  AND NAME HE*  ) (RESID 54  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 24  AND NAME HB2  ) (RESID 20  AND NAME HN   )    4.3   1.3   1.3 
ASSIGN (RESID 19  AND NAME HG*  ) (RESID 20  AND NAME HN   )    4.8   1.4   1.4 
ASSIGN (RESID 19  AND NAME HA   ) (RESID 20  AND NAME HN   )    2.9   0.9   0.9 
ASSIGN (RESID 19  AND NAME HB2  ) (RESID 20  AND NAME HN   )    3.8   1.1   1.1 
ASSIGN (RESID 19  AND NAME HB1  ) (RESID 20  AND NAME HN   )    3.7   1.1   1.1 
ASSIGN (RESID 20  AND NAME HG2* ) (RESID 20  AND NAME HN   )    3.1   0.9   0.9 
ASSIGN (RESID 26  AND NAME HN   ) (RESID 20  AND NAME HN   )    4.1   1.2   1.2 
ASSIGN (RESID 23  AND NAME HN   ) (RESID 20  AND NAME HN   )    4.9   1.5   1.5 
ASSIGN (RESID 6   AND NAME HG1  ) (RESID 10  AND NAME HN   )    3.8   1.1   1.1 
ASSIGN (RESID 6   AND NAME HB1  ) (RESID 10  AND NAME HN   )    3.8   1.2   1.2 
ASSIGN (RESID 8   AND NAME HA2  ) (RESID 9   AND NAME HN   )    3.5   1.1   1.1 
ASSIGN (RESID 8   AND NAME HA1  ) (RESID 9   AND NAME HN   )    3.9   1.2   1.2 
ASSIGN (RESID 68  AND NAME HG2* ) (RESID 69  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 67  AND NAME HG1  ) (RESID 69  AND NAME HN   )    3.0   0.9   0.9 
ASSIGN (RESID 69  AND NAME HB1  ) (RESID 69  AND NAME HN   )    2.8   0.8   0.8 
ASSIGN (RESID 24  AND NAME HD*  ) (RESID 69  AND NAME HN   )    4.8   1.5   1.5 
ASSIGN (RESID 71  AND NAME HD21 ) (RESID 71  AND NAME HN   )    3.9   1.2   1.2 
ASSIGN (RESID 72  AND NAME HN   ) (RESID 71  AND NAME HN   )    2.6   0.8   0.8 
ASSIGN (RESID 71  AND NAME HD22 ) (RESID 71  AND NAME HN   )    3.9   1.2   1.2 
ASSIGN (RESID 71  AND NAME HB1  ) (RESID 71  AND NAME HN   )    3.8   1.1   1.1 
ASSIGN (RESID 70  AND NAME HB1  ) (RESID 71  AND NAME HN   )    4.7   1.4   1.4 
ASSIGN (RESID 59  AND NAME HN   ) (RESID 58  AND NAME HN   )    2.8   0.8   0.8 
ASSIGN (RESID 58  AND NAME HB1  ) (RESID 58  AND NAME HN   )    3.4   1.0   1.0 
ASSIGN (RESID 57  AND NAME HD1  ) (RESID 58  AND NAME HN   )    4.9   1.5   1.5 
ASSIGN (RESID 70  AND NAME HG2  ) (RESID 71  AND NAME HN   )    3.9   1.2   1.2 
ASSIGN (RESID 64  AND NAME HZ2  ) (RESID 58  AND NAME HN   )    4.7   1.4   1.4 
ASSIGN (RESID 39  AND NAME HD*  ) (RESID 38  AND NAME HN   )    4.8   1.4   1.4 
ASSIGN (RESID 65  AND NAME HN   ) (RESID 64  AND NAME HN   )    4.5   1.4   1.4 
ASSIGN (RESID 64  AND NAME HD1  ) (RESID 64  AND NAME HN   )    3.1   0.9   0.9 
ASSIGN (RESID 37  AND NAME HB2  ) (RESID 38  AND NAME HN   )    3.0   0.9   0.9 
ASSIGN (RESID 49  AND NAME HD1* ) (RESID 56  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 66  AND NAME HZ   ) (RESID 38  AND NAME HN   )    3.9   1.2   1.2 
ASSIGN (RESID 54  AND NAME HN   ) (RESID 18  AND NAME HN   )    4.3   1.3   1.3 
ASSIGN (RESID 19  AND NAME HN   ) (RESID 18  AND NAME HN   )    2.7   0.8   0.8 
ASSIGN (RESID 18  AND NAME HA   ) (RESID 18  AND NAME HN   )    4.2   1.3   1.3 
ASSIGN (RESID 17  AND NAME HA   ) (RESID 18  AND NAME HN   )    2.8   0.8   0.8 
ASSIGN (RESID 74  AND NAME HD1  ) (RESID 73  AND NAME HN   )    4.1   1.2   1.2 
ASSIGN (RESID 18  AND NAME HB2  ) (RESID 18  AND NAME HN   )    3.9   1.2   1.2 
ASSIGN (RESID 73  AND NAME HA   ) (RESID 73  AND NAME HN   )    3.3   1.0   1.0 
ASSIGN (RESID 51  AND NAME HB1  ) (RESID 51  AND NAME HN   )    4.4   1.3   1.3 
ASSIGN (RESID 29  AND NAME HD1  ) (RESID 51  AND NAME HN   )    4.4   1.3   1.3 
ASSIGN (RESID 51  AND NAME HA   ) (RESID 51  AND NAME HN   )    2.7   0.8   0.8 
ASSIGN (RESID 51  AND NAME HD*  ) (RESID 51  AND NAME HN   )    3.3   1.0   1.0 
ASSIGN (RESID 51  AND NAME HB2  ) (RESID 51  AND NAME HN   )    3.9   1.2   1.2 
ASSIGN (RESID 37  AND NAME HN   ) (RESID 36  AND NAME HN   )    4.0   1.2   1.2 
ASSIGN (RESID 81  AND NAME HG*  ) (RESID 82  AND NAME HN   )    3.1   0.9   0.9 
ASSIGN (RESID 49  AND NAME HG   ) (RESID 49  AND NAME HN   )    3.3   1.0   1.0 
ASSIGN (RESID 49  AND NAME HD1* ) (RESID 49  AND NAME HN   )    4.3   1.3   1.3 
ASSIGN (RESID 27  AND NAME HN   ) (RESID 28  AND NAME HN   )    4.7   1.4   1.4 
ASSIGN (RESID 83  AND NAME HN   ) (RESID 82  AND NAME HN   )    3.8   1.1   1.1 
ASSIGN (RESID 27  AND NAME HA   ) (RESID 28  AND NAME HN   )    3.0   0.9   0.9 
ASSIGN (RESID 82  AND NAME HB1  ) (RESID 82  AND NAME HN   )    3.6   1.1   1.1 
ASSIGN (RESID 28  AND NAME HB*  ) (RESID 28  AND NAME HN   )    3.0   0.9   0.9 
ASSIGN (RESID 68  AND NAME HG2* ) (RESID 28  AND NAME HN   )    4.9   1.5   1.5 
ASSIGN (RESID 26  AND NAME HN   ) (RESID 25  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 31  AND NAME HN   ) (RESID 30  AND NAME HN   )    3.0   0.9   0.9 
ASSIGN (RESID 29  AND NAME HN   ) (RESID 30  AND NAME HN   )    2.9   0.9   0.9 
ASSIGN (RESID 34  AND NAME HG2  ) (RESID 35  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 24  AND NAME HN   ) (RESID 25  AND NAME HN   )    4.4   1.3   1.3 
ASSIGN (RESID 29  AND NAME HD1  ) (RESID 30  AND NAME HN   )    4.8   1.4   1.4 
ASSIGN (RESID 35  AND NAME HB2  ) (RESID 35  AND NAME HN   )    3.2   1.0   1.0 
ASSIGN (RESID 25  AND NAME HG*  ) (RESID 25  AND NAME HN   )    4.2   1.3   1.3 
ASSIGN (RESID 25  AND NAME HB2  ) (RESID 25  AND NAME HN   )    2.7   0.8   0.8 
ASSIGN (RESID 25  AND NAME HB1  ) (RESID 25  AND NAME HN   )    2.8   0.8   0.8 
ASSIGN (RESID 24  AND NAME HB1  ) (RESID 25  AND NAME HN   )    2.8   0.8   0.8 
ASSIGN (RESID 24  AND NAME HD*  ) (RESID 25  AND NAME HN   )    4.6   1.4   1.4 
ASSIGN (RESID 20  AND NAME HG2* ) (RESID 75  AND NAME HN   )    4.3   1.3   1.3 
ASSIGN (RESID 65  AND NAME HN   ) (RESID 75  AND NAME HN   )    3.7   1.1   1.1 
ASSIGN (RESID 67  AND NAME HN   ) (RESID 75  AND NAME HN   )    4.6   1.4   1.4 
ASSIGN (RESID 74  AND NAME HE3  ) (RESID 75  AND NAME HN   )    3.4   1.0   1.0 
ASSIGN (RESID 64  AND NAME HE3  ) (RESID 75  AND NAME HN   )    4.0   1.2   1.2 
ASSIGN (RESID 13  AND NAME HN   ) (RESID 14  AND NAME HN   )    4.6   1.4   1.4 
ASSIGN (RESID 13  AND NAME HD*  ) (RESID 14  AND NAME HN   )    4.3   1.3   1.3 
ASSIGN (RESID 74  AND NAME HB1  ) (RESID 75  AND NAME HN   )    4.5   1.3   1.3 
ASSIGN (RESID 14  AND NAME HB2  ) (RESID 14  AND NAME HN   )    3.5   1.0   1.0 
ASSIGN (RESID 80  AND NAME HB1  ) (RESID 81  AND NAME HN   )    3.0   0.9   0.9 
ASSIGN (RESID 3   AND NAME HB1  ) (RESID 3   AND NAME HN   )    3.6   1.1   1.1 
ASSIGN (RESID 47  AND NAME HN   ) (RESID 46  AND NAME HN   )    3.6   1.1   1.1 
ASSIGN (RESID 46  AND NAME HB*  ) (RESID 46  AND NAME HN   )    3.1   0.9   0.9 
ASSIGN (RESID 45  AND NAME HG1  ) (RESID 46  AND NAME HN   )    3.5   1.0   1.0 
ASSIGN (RESID 59  AND NAME HB1  ) (RESID 59  AND NAME HN   )    4.1   1.2   1.2 
ASSIGN (RESID 58  AND NAME HB1  ) (RESID 59  AND NAME HN   )    3.8   1.1   1.1 
ASSIGN (RESID 59  AND NAME HG*  ) (RESID 59  AND NAME HN   )    3.4   1.0   1.0 
ASSIGN (RESID 59  AND NAME HA   ) (RESID 59  AND NAME HN   )    2.8   0.8   0.8 
ASSIGN (RESID 58  AND NAME HB2  ) (RESID 59  AND NAME HN   )    4.5   1.3   1.3 
ASSIGN (RESID 26  AND NAME HB2  ) (RESID 26  AND NAME HN   )    3.0   0.9   0.9 
ASSIGN (RESID 25  AND NAME HB2  ) (RESID 26  AND NAME HN   )    3.8   1.1   1.1 
ASSIGN (RESID 26  AND NAME HB1  ) (RESID 26  AND NAME HN   )    3.7   1.1   1.1 
ASSIGN (RESID 25  AND NAME HG*  ) (RESID 26  AND NAME HN   )    3.6   1.1   1.1 
ASSIGN (RESID 52  AND NAME HD21 ) (RESID 26  AND NAME HN   )    4.2   1.2   1.2 
ASSIGN (RESID 52  AND NAME HD22 ) (RESID 26  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 19  AND NAME HA   ) (RESID 26  AND NAME HN   )    3.6   1.1   1.1 
ASSIGN (RESID 20  AND NAME HG2* ) (RESID 26  AND NAME HN   )    4.7   1.4   1.4 
ASSIGN (RESID 5   AND NAME HN   ) (RESID 4   AND NAME HN   )    3.4   1.0   1.0 
ASSIGN (RESID 4   AND NAME HB1  ) (RESID 4   AND NAME HN   )    3.1   0.9   0.9 
ASSIGN (RESID 64  AND NAME HB1  ) (RESID 65  AND NAME HN   )    3.7   1.1   1.1 
ASSIGN (RESID 20  AND NAME HG2* ) (RESID 65  AND NAME HN   )    4.8   1.5   1.5 
ASSIGN (RESID 64  AND NAME HE3  ) (RESID 65  AND NAME HN   )    3.0   0.9   0.9 
ASSIGN (RESID 13  AND NAME HN   ) (RESID 12  AND NAME HN   )    3.3   1.0   1.0 
ASSIGN (RESID 32  AND NAME HG1  ) (RESID 32  AND NAME HN   )    3.2   0.9   0.9 
ASSIGN (RESID 33  AND NAME HN   ) (RESID 32  AND NAME HN   )    2.8   0.9   0.9 
ASSIGN (RESID 32  AND NAME HB1  ) (RESID 32  AND NAME HN   )    3.7   1.1   1.1 
ASSIGN (RESID 32  AND NAME HG2  ) (RESID 32  AND NAME HN   )    4.1   1.2   1.2 
ASSIGN (RESID 32  AND NAME HB2  ) (RESID 32  AND NAME HN   )    2.9   0.9   0.9 
ASSIGN (RESID 31  AND NAME HN   ) (RESID 32  AND NAME HN   )    4.1   1.2   1.2 
ASSIGN (RESID 39  AND NAME HB1  ) (RESID 37  AND NAME HE1  )    5.0   1.5   1.5 
ASSIGN (RESID 49  AND NAME HG   ) (RESID 37  AND NAME HE1  )    4.0   1.2   1.2 
ASSIGN (RESID 22  AND NAME HN   ) (RESID 23  AND NAME HN   )    2.9   0.9   0.9 
ASSIGN (RESID 20  AND NAME HG1  ) (RESID 23  AND NAME HN   )    4.0   1.2   1.2 
ASSIGN (RESID 24  AND NAME HD*  ) (RESID 68  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 67  AND NAME HN   ) (RESID 68  AND NAME HN   )    4.2   1.3   1.3 
ASSIGN (RESID 42  AND NAME HA   ) (RESID 42  AND NAME HN   )    3.7   1.1   1.1 
ASSIGN (RESID 42  AND NAME HB*  ) (RESID 42  AND NAME HN   )    3.9   1.2   1.2 
ASSIGN (RESID 43  AND NAME HN   ) (RESID 42  AND NAME HN   )    4.0   1.2   1.2 
ASSIGN (RESID 44  AND NAME HN   ) (RESID 42  AND NAME HN   )    4.0   1.2   1.2 
ASSIGN (RESID 41  AND NAME HB1  ) (RESID 42  AND NAME HN   )    3.4   1.0   1.0 
ASSIGN (RESID 41  AND NAME HB2  ) (RESID 42  AND NAME HN   )    3.3   1.0   1.0 
ASSIGN (RESID 40  AND NAME HG2* ) (RESID 42  AND NAME HN   )    3.7   1.1   1.1 
ASSIGN (RESID 65  AND NAME HB2  ) (RESID 66  AND NAME HN   )    3.4   1.0   1.0 
ASSIGN (RESID 65  AND NAME HB1  ) (RESID 66  AND NAME HN   )    3.4   1.0   1.0 
ASSIGN (RESID 66  AND NAME HB2  ) (RESID 66  AND NAME HN   )    3.1   0.9   0.9 
ASSIGN (RESID 49  AND NAME HN   ) (RESID 48  AND NAME HN   )    3.3   1.0   1.0 
ASSIGN (RESID 48  AND NAME HA   ) (RESID 48  AND NAME HN   )    3.8   1.1   1.1 
ASSIGN (RESID 31  AND NAME HB1  ) (RESID 31  AND NAME HN   )    3.9   1.2   1.2 
ASSIGN (RESID 31  AND NAME HB2  ) (RESID 31  AND NAME HN   )    3.4   1.0   1.0 
ASSIGN (RESID 48  AND NAME HB2  ) (RESID 48  AND NAME HN   )    4.2   1.3   1.3 
ASSIGN (RESID 47  AND NAME HB2  ) (RESID 48  AND NAME HN   )    3.8   1.1   1.1 
ASSIGN (RESID 47  AND NAME HN   ) (RESID 48  AND NAME HN   )    2.9   0.9   0.9 
ASSIGN (RESID 71  AND NAME HD22 ) (RESID 71  AND NAME HD21 )    1.9   0.6   0.6 
ASSIGN (RESID 43  AND NAME HA   ) (RESID 43  AND NAME HN   )    3.9   1.2   1.2 
ASSIGN (RESID 44  AND NAME HN   ) (RESID 43  AND NAME HN   )    2.5   0.8   0.8 
ASSIGN (RESID 29  AND NAME HZ3  ) (RESID 29  AND NAME HE3  )    2.9   0.9   0.9 
ASSIGN (RESID 48  AND NAME HB2  ) (RESID 55  AND NAME HE   )    2.7   0.8   0.8 
ASSIGN (RESID 43  AND NAME HG2  ) (RESID 43  AND NAME HN   )    3.3   1.0   1.0 
ASSIGN (RESID 49  AND NAME HD2* ) (RESID 29  AND NAME HE3  )    4.2   1.3   1.3 
ASSIGN (RESID 79  AND NAME HG2* ) (RESID 5   AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 69  AND NAME HB2  ) (RESID 72  AND NAME HN   )    4.1   1.2   1.2 
ASSIGN (RESID 72  AND NAME HB2  ) (RESID 72  AND NAME HN   )    3.3   1.0   1.0 
ASSIGN (RESID 48  AND NAME HD22 ) (RESID 48  AND NAME HD21 )    2.0   0.6   0.6 
ASSIGN (RESID 48  AND NAME HB2  ) (RESID 48  AND NAME HD21 )    3.7   1.1   1.1 
ASSIGN (RESID 48  AND NAME HB1  ) (RESID 48  AND NAME HD21 )    2.9   0.9   0.9 
ASSIGN (RESID 22  AND NAME HB1  ) (RESID 22  AND NAME HN   )    4.2   1.3   1.3 
ASSIGN (RESID 21  AND NAME HB1  ) (RESID 22  AND NAME HN   )    4.0   1.2   1.2 
ASSIGN (RESID 20  AND NAME HG1  ) (RESID 22  AND NAME HN   )    2.8   0.8   0.8 
ASSIGN (RESID 32  AND NAME HB2  ) (RESID 33  AND NAME HN   )    4.1   1.2   1.2 
ASSIGN (RESID 33  AND NAME HB*  ) (RESID 33  AND NAME HN   )    3.6   1.1   1.1 
ASSIGN (RESID 52  AND NAME HD22 ) (RESID 52  AND NAME HD21 )    2.1   0.6   0.6 
ASSIGN (RESID 29  AND NAME HB2  ) (RESID 29  AND NAME HN   )    3.3   1.0   1.0 
ASSIGN (RESID 25  AND NAME HG*  ) (RESID 52  AND NAME HD21 )    3.0   0.9   0.9 
ASSIGN (RESID 28  AND NAME HB*  ) (RESID 29  AND NAME HN   )    3.9   1.2   1.2 
ASSIGN (RESID 68  AND NAME HG2* ) (RESID 52  AND NAME HD21 )    4.7   1.4   1.4 
ASSIGN (RESID 37  AND NAME HD2  ) (RESID 27  AND NAME HE22 )    3.1   0.9   0.9 
ASSIGN (RESID 26  AND NAME HB2  ) (RESID 52  AND NAME HD21 )    3.8   1.1   1.1 
ASSIGN (RESID 66  AND NAME HB1  ) (RESID 27  AND NAME HE22 )    4.0   1.2   1.2 
ASSIGN (RESID 47  AND NAME HG1  ) (RESID 47  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 51  AND NAME HN   ) (RESID 52  AND NAME HN   )    3.8   1.1   1.1 
ASSIGN (RESID 46  AND NAME HB*  ) (RESID 46  AND NAME HD21 )    3.5   1.0   1.0 
ASSIGN (RESID 64  AND NAME HH2  ) (RESID 66  AND NAME HZ   )    4.0   1.2   1.2 
ASSIGN (RESID 51  AND NAME HA   ) (RESID 52  AND NAME HN   )    3.8   1.1   1.1 
ASSIGN (RESID 51  AND NAME HD*  ) (RESID 52  AND NAME HN   )    4.6   1.4   1.4 
ASSIGN (RESID 51  AND NAME HG2  ) (RESID 52  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 51  AND NAME HG1  ) (RESID 52  AND NAME HN   )    3.5   1.0   1.0 
ASSIGN (RESID 51  AND NAME HB1  ) (RESID 52  AND NAME HN   )    2.4   0.7   0.7 
ASSIGN (RESID 51  AND NAME HB2  ) (RESID 52  AND NAME HN   )    2.5   0.8   0.8 
ASSIGN (RESID 39  AND NAME HD*  ) (RESID 66  AND NAME HZ   )    3.2   1.0   1.0 
ASSIGN (RESID 53  AND NAME HB2  ) (RESID 53  AND NAME HN   )    2.8   0.8   0.8 
ASSIGN (RESID 52  AND NAME HB2  ) (RESID 53  AND NAME HN   )    4.5   1.3   1.3 
ASSIGN (RESID 16  AND NAME HA   ) (RESID 17  AND NAME HN   )    3.2   1.0   1.0 
ASSIGN (RESID 17  AND NAME HG12 ) (RESID 17  AND NAME HN   )    3.1   0.9   0.9 
ASSIGN (RESID 16  AND NAME HB2  ) (RESID 17  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 17  AND NAME HD1* ) (RESID 17  AND NAME HN   )    4.5   1.4   1.4 
ASSIGN (RESID 13  AND NAME HB1  ) (RESID 13  AND NAME HN   )    2.7   0.8   0.8 
ASSIGN (RESID 17  AND NAME HB   ) (RESID 17  AND NAME HN   )    2.7   0.8   0.8 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 17  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 18  AND NAME HN   ) (RESID 17  AND NAME HN   )    4.6   1.4   1.4 
ASSIGN (RESID 17  AND NAME HA   ) (RESID 17  AND NAME HN   )    4.0   1.2   1.2 
ASSIGN (RESID 13  AND NAME HD*  ) (RESID 13  AND NAME HN   )    3.5   1.1   1.1 
ASSIGN (RESID 13  AND NAME HB2  ) (RESID 13  AND NAME HN   )    3.0   0.9   0.9 
ASSIGN (RESID 44  AND NAME HD*  ) (RESID 44  AND NAME HE*  )    3.3   1.0   1.0 
ASSIGN (RESID 75  AND NAME HA   ) (RESID 76  AND NAME HN   )    2.7   0.8   0.8 
ASSIGN (RESID 76  AND NAME HG   ) (RESID 76  AND NAME HN   )    2.6   0.8   0.8 
ASSIGN (RESID 76  AND NAME HD1* ) (RESID 76  AND NAME HN   )    4.0   1.2   1.2 
ASSIGN (RESID 49  AND NAME HD2* ) (RESID 44  AND NAME HE*  )    5.0   1.5   1.5 
ASSIGN (RESID 76  AND NAME HB1  ) (RESID 76  AND NAME HN   )    3.7   1.1   1.1 
ASSIGN (RESID 49  AND NAME HD1* ) (RESID 29  AND NAME HZ2  )    5.0   1.5   1.5 
ASSIGN (RESID 55  AND NAME HB2  ) (RESID 29  AND NAME HZ2  )    3.7   1.1   1.1 
ASSIGN (RESID 76  AND NAME HD2* ) (RESID 62  AND NAME HN   )    3.5   1.1   1.1 
ASSIGN (RESID 74  AND NAME HE1  ) (RESID 74  AND NAME HN   )    4.3   1.3   1.3 
ASSIGN (RESID 60  AND NAME HG*  ) (RESID 64  AND NAME HD1  )    2.9   0.9   0.9 
ASSIGN (RESID 73  AND NAME HN   ) (RESID 74  AND NAME HN   )    3.4   1.0   1.0 
ASSIGN (RESID 57  AND NAME HD2  ) (RESID 64  AND NAME HD1  )    3.3   1.0   1.0 
ASSIGN (RESID 64  AND NAME HB1  ) (RESID 64  AND NAME HD1  )    3.2   1.0   1.0 
ASSIGN (RESID 73  AND NAME HD1  ) (RESID 74  AND NAME HN   )    3.4   1.0   1.0 
ASSIGN (RESID 60  AND NAME HB*  ) (RESID 64  AND NAME HD1  )    2.7   0.8   0.8 
ASSIGN (RESID 73  AND NAME HB2  ) (RESID 74  AND NAME HN   )    3.2   1.0   1.0 
ASSIGN (RESID 73  AND NAME HB1  ) (RESID 74  AND NAME HN   )    3.1   0.9   0.9 
ASSIGN (RESID 45  AND NAME HD2  ) (RESID 44  AND NAME HN   )    3.5   1.1   1.1 
ASSIGN (RESID 45  AND NAME HD1  ) (RESID 44  AND NAME HN   )    3.3   1.0   1.0 
ASSIGN (RESID 44  AND NAME HB2  ) (RESID 44  AND NAME HD*  )    3.0   0.9   0.9 
ASSIGN (RESID 43  AND NAME HB1  ) (RESID 44  AND NAME HD*  )    3.8   1.1   1.1 
ASSIGN (RESID 49  AND NAME HG   ) (RESID 44  AND NAME HD*  )    4.9   1.5   1.5 
ASSIGN (RESID 44  AND NAME HZ   ) (RESID 44  AND NAME HD*  )    5.0   1.5   1.5 
ASSIGN (RESID 44  AND NAME HB1  ) (RESID 44  AND NAME HD*  )    3.3   1.0   1.0 
ASSIGN (RESID 49  AND NAME HD2* ) (RESID 44  AND NAME HD*  )    4.5   1.4   1.4 
ASSIGN (RESID 62  AND NAME HD*  ) (RESID 62  AND NAME HE   )    3.8   1.1   1.1 
ASSIGN (RESID 74  AND NAME HH2  ) (RESID 74  AND NAME HZ2  )    2.4   0.7   0.7 
ASSIGN (RESID 74  AND NAME HZ3  ) (RESID 74  AND NAME HZ2  )    4.1   1.2   1.2 
ASSIGN (RESID 13  AND NAME HE*  ) (RESID 13  AND NAME HD*  )    3.0   0.9   0.9 
ASSIGN (RESID 13  AND NAME HB2  ) (RESID 13  AND NAME HD*  )    3.2   1.0   1.0 
ASSIGN (RESID 13  AND NAME HB1  ) (RESID 13  AND NAME HD*  )    3.2   1.0   1.0 
ASSIGN (RESID 79  AND NAME HG2* ) (RESID 13  AND NAME HD*  )    5.0   1.5   1.5 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 13  AND NAME HD*  )    5.0   1.5   1.5 
ASSIGN (RESID 19  AND NAME HA   ) (RESID 19  AND NAME HN   )    3.5   1.1   1.1 
ASSIGN (RESID 19  AND NAME HG*  ) (RESID 19  AND NAME HN   )    3.9   1.2   1.2 
ASSIGN (RESID 20  AND NAME HN   ) (RESID 24  AND NAME HN   )    3.1   0.9   0.9 
ASSIGN (RESID 24  AND NAME HG   ) (RESID 24  AND NAME HN   )    2.6   0.8   0.8 
ASSIGN (RESID 24  AND NAME HB1  ) (RESID 24  AND NAME HN   )    3.3   1.0   1.0 
ASSIGN (RESID 67  AND NAME HG2* ) (RESID 24  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 24  AND NAME HD*  ) (RESID 24  AND NAME HN   )    4.5   1.4   1.4 
ASSIGN (RESID 39  AND NAME HD*  ) (RESID 66  AND NAME HE*  )    5.0   1.5   1.5 
ASSIGN (RESID 64  AND NAME HZ2  ) (RESID 66  AND NAME HE*  )    5.0   1.5   1.5 
ASSIGN (RESID 20  AND NAME HG1  ) (RESID 24  AND NAME HN   )    3.2   1.0   1.0 
ASSIGN (RESID 37  AND NAME HB1  ) (RESID 66  AND NAME HE*  )    5.0   1.5   1.5 
ASSIGN (RESID 49  AND NAME HD1* ) (RESID 29  AND NAME HD1  )    5.0   1.5   1.5 
ASSIGN (RESID 29  AND NAME HZ2  ) (RESID 29  AND NAME HD1  )    4.1   1.2   1.2 
ASSIGN (RESID 29  AND NAME HZ3  ) (RESID 66  AND NAME HE*  )    3.4   1.0   1.0 
ASSIGN (RESID 39  AND NAME HB1  ) (RESID 66  AND NAME HE*  )    5.0   1.5   1.5 
ASSIGN (RESID 57  AND NAME HG1  ) (RESID 39  AND NAME HD*  )    4.6   1.4   1.4 
ASSIGN (RESID 64  AND NAME HZ2  ) (RESID 39  AND NAME HD*  )    5.0   1.5   1.5 
ASSIGN (RESID 29  AND NAME HZ3  ) (RESID 39  AND NAME HD*  )    3.8   1.2   1.2 
ASSIGN (RESID 77  AND NAME HB2  ) (RESID 79  AND NAME HN   )    3.6   1.1   1.1 
ASSIGN (RESID 46  AND NAME HB*  ) (RESID 46  AND NAME HD22 )    4.1   1.2   1.2 
ASSIGN (RESID 79  AND NAME HG12 ) (RESID 79  AND NAME HN   )    3.3   1.0   1.0 
ASSIGN (RESID 79  AND NAME HG11 ) (RESID 79  AND NAME HN   )    4.0   1.2   1.2 
ASSIGN (RESID 49  AND NAME HD2* ) (RESID 39  AND NAME HD*  )    4.3   1.3   1.3 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 79  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 44  AND NAME HE*  ) (RESID 40  AND NAME HN   )    3.4   1.0   1.0 
ASSIGN (RESID 44  AND NAME HD*  ) (RESID 40  AND NAME HN   )    4.1   1.2   1.2 
ASSIGN (RESID 49  AND NAME HD1* ) (RESID 50  AND NAME HN   )    4.5   1.3   1.3 
ASSIGN (RESID 29  AND NAME HE1  ) (RESID 50  AND NAME HN   )    4.4   1.3   1.3 
ASSIGN (RESID 56  AND NAME HD21 ) (RESID 56  AND NAME HD22 )    2.5   0.8   0.8 
ASSIGN (RESID 49  AND NAME HA   ) (RESID 50  AND NAME HN   )    2.8   0.8   0.8 
ASSIGN (RESID 56  AND NAME HB1  ) (RESID 56  AND NAME HD22 )    3.4   1.0   1.0 
ASSIGN (RESID 40  AND NAME HG12 ) (RESID 40  AND NAME HN   )    3.3   1.0   1.0 
ASSIGN (RESID 40  AND NAME HD1* ) (RESID 40  AND NAME HN   )    4.8   1.4   1.4 
ASSIGN (RESID 74  AND NAME HZ2  ) (RESID 74  AND NAME HE3  )    4.0   1.2   1.2 
ASSIGN (RESID 74  AND NAME HH2  ) (RESID 74  AND NAME HE3  )    5.0   1.5   1.5 
ASSIGN (RESID 60  AND NAME HB*  ) (RESID 56  AND NAME HD22 )    4.2   1.3   1.3 
ASSIGN (RESID 76  AND NAME HD2* ) (RESID 74  AND NAME HE3  )    3.7   1.1   1.1 
ASSIGN (RESID 74  AND NAME HZ3  ) (RESID 74  AND NAME HE3  )    2.8   0.8   0.8 
ASSIGN (RESID 67  AND NAME HN   ) (RESID 66  AND NAME HD*  )    3.9   1.2   1.2 
ASSIGN (RESID 18  AND NAME HB2  ) (RESID 53  AND NAME HD*  )    3.3   1.0   1.0 
ASSIGN (RESID 18  AND NAME HN   ) (RESID 53  AND NAME HD*  )    4.8   1.4   1.4 
ASSIGN (RESID 27  AND NAME HE22 ) (RESID 66  AND NAME HD*  )    5.0   1.5   1.5 
ASSIGN (RESID 57  AND NAME HG1  ) (RESID 39  AND NAME HE*  )    5.0   1.5   1.5 
ASSIGN (RESID 64  AND NAME HZ2  ) (RESID 39  AND NAME HE*  )    4.4   1.3   1.3 
ASSIGN (RESID 46  AND NAME HB*  ) (RESID 48  AND NAME HD22 )    5.0   1.5   1.5 
ASSIGN (RESID 33  AND NAME HN   ) (RESID 37  AND NAME HD2  )    4.4   1.3   1.3 
ASSIGN (RESID 76  AND NAME HD2* ) (RESID 74  AND NAME HH2  )    4.8   1.4   1.4 
ASSIGN (RESID 67  AND NAME HN   ) (RESID 37  AND NAME HD2  )    5.0   1.5   1.5 
ASSIGN (RESID 74  AND NAME HZ3  ) (RESID 74  AND NAME HH2  )    2.8   0.8   0.8 
ASSIGN (RESID 27  AND NAME HG1  ) (RESID 37  AND NAME HD2  )    3.7   1.1   1.1 
ASSIGN (RESID 50  AND NAME HG2  ) (RESID 53  AND NAME HE*  )    4.8   1.4   1.4 
ASSIGN (RESID 17  AND NAME HD1* ) (RESID 13  AND NAME HE*  )    5.0   1.5   1.5 
ASSIGN (RESID 51  AND NAME HB2  ) (RESID 53  AND NAME HE*  )    4.3   1.3   1.3 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 13  AND NAME HE*  )    4.5   1.3   1.3 
ASSIGN (RESID 54  AND NAME HB2  ) (RESID 13  AND NAME HE*  )    4.2   1.2   1.2 
ASSIGN (RESID 54  AND NAME HB1  ) (RESID 13  AND NAME HE*  )    4.8   1.4   1.4 
ASSIGN (RESID 79  AND NAME HG2* ) (RESID 13  AND NAME HE*  )    4.5   1.3   1.3 
ASSIGN (RESID 73  AND NAME HG*  ) (RESID 74  AND NAME HD1  )    4.1   1.2   1.2 
ASSIGN (RESID 57  AND NAME HD1  ) (RESID 64  AND NAME HZ2  )    3.8   1.1   1.1 
ASSIGN (RESID 64  AND NAME HH2  ) (RESID 64  AND NAME HZ2  )    3.1   0.9   0.9 
ASSIGN (RESID 57  AND NAME HG2  ) (RESID 64  AND NAME HZ2  )    3.2   1.0   1.0 
ASSIGN (RESID 57  AND NAME HG1  ) (RESID 64  AND NAME HZ2  )    3.9   1.2   1.2 
ASSIGN (RESID 64  AND NAME HD1  ) (RESID 64  AND NAME HZ2  )    5.0   1.5   1.5 
ASSIGN (RESID 66  AND NAME HZ   ) (RESID 29  AND NAME HZ3  )    5.0   1.5   1.5 
ASSIGN (RESID 49  AND NAME HD1* ) (RESID 29  AND NAME HZ3  )    5.0   1.5   1.5 
ASSIGN (RESID 29  AND NAME HZ2  ) (RESID 29  AND NAME HZ3  )    4.4   1.3   1.3 
ASSIGN (RESID 49  AND NAME HD2* ) (RESID 29  AND NAME HZ3  )    5.0   1.5   1.5 
ASSIGN (RESID 76  AND NAME HN   ) (RESID 74  AND NAME HZ3  )    4.0   1.2   1.2 
ASSIGN (RESID 64  AND NAME HD1  ) (RESID 74  AND NAME HZ3  )    5.0   1.5   1.5 
ASSIGN (RESID 64  AND NAME HB2  ) (RESID 74  AND NAME HZ3  )    3.8   1.1   1.1 
ASSIGN (RESID 76  AND NAME HD2* ) (RESID 74  AND NAME HZ3  )    3.3   1.0   1.0 
ASSIGN (RESID 76  AND NAME HD1* ) (RESID 74  AND NAME HZ3  )    5.0   1.5   1.5 
ASSIGN (RESID 64  AND NAME HB1  ) (RESID 74  AND NAME HZ3  )    3.9   1.2   1.2 
ASSIGN (RESID 60  AND NAME HG*  ) (RESID 74  AND NAME HZ3  )    4.7   1.4   1.4 
ASSIGN (RESID 60  AND NAME HB*  ) (RESID 74  AND NAME HZ3  )    4.0   1.2   1.2 
ASSIGN (RESID 76  AND NAME HG   ) (RESID 74  AND NAME HZ3  )    3.4   1.0   1.0 
ASSIGN (RESID 32  AND NAME HG2  ) (RESID 27  AND NAME HE21 )    3.6   1.1   1.1 
ASSIGN (RESID 72  AND NAME HB2  ) (RESID 67  AND NAME HG1  )    4.0   1.2   1.2 
ASSIGN (RESID 24  AND NAME HD*  ) (RESID 67  AND NAME HG1  )    4.8   1.4   1.4 
ASSIGN (RESID 37  AND NAME HD2  ) (RESID 32  AND NAME HE22 )    4.0   1.2   1.2 
ASSIGN (RESID 32  AND NAME HG2  ) (RESID 32  AND NAME HE22 )    4.0   1.2   1.2 
ASSIGN (RESID 37  AND NAME HE1  ) (RESID 32  AND NAME HE22 )    5.0   1.5   1.5 
ASSIGN (RESID 39  AND NAME HD*  ) (RESID 64  AND NAME HH2  )    4.0   1.2   1.2 
ASSIGN (RESID 39  AND NAME HE*  ) (RESID 64  AND NAME HH2  )    4.5   1.3   1.3 
ASSIGN (RESID 24  AND NAME HG   ) (RESID 20  AND NAME HG1  )    3.8   1.1   1.1 
ASSIGN (RESID 20  AND NAME HN   ) (RESID 20  AND NAME HG1  )    4.0   1.2   1.2 
ASSIGN (RESID 29  AND NAME HZ3  ) (RESID 64  AND NAME HH2  )    3.6   1.1   1.1 
ASSIGN (RESID 24  AND NAME HB2  ) (RESID 20  AND NAME HG1  )    3.8   1.1   1.1 
ASSIGN (RESID 67  AND NAME HG2* ) (RESID 20  AND NAME HG1  )    5.0   1.5   1.5 
ASSIGN (RESID 19  AND NAME HB2  ) (RESID 19  AND NAME HA   )    2.9   0.9   0.9 
ASSIGN (RESID 19  AND NAME HB1  ) (RESID 19  AND NAME HA   )    3.3   1.0   1.0 
ASSIGN (RESID 19  AND NAME HG*  ) (RESID 19  AND NAME HA   )    3.6   1.1   1.1 
ASSIGN (RESID 64  AND NAME HN   ) (RESID 64  AND NAME HA   )    3.5   1.0   1.0 
ASSIGN (RESID 25  AND NAME HN   ) (RESID 19  AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 64  AND NAME HD1  ) (RESID 64  AND NAME HA   )    4.2   1.3   1.3 
ASSIGN (RESID 24  AND NAME HN   ) (RESID 19  AND NAME HA   )    4.3   1.3   1.3 
ASSIGN (RESID 74  AND NAME HE3  ) (RESID 64  AND NAME HA   )    4.8   1.4   1.4 
ASSIGN (RESID 64  AND NAME HB2  ) (RESID 64  AND NAME HA   )    3.6   1.1   1.1 
ASSIGN (RESID 25  AND NAME HG*  ) (RESID 19  AND NAME HA   )    4.5   1.4   1.4 
ASSIGN (RESID 64  AND NAME HE3  ) (RESID 64  AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 64  AND NAME HB1  ) (RESID 64  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 76  AND NAME HD2* ) (RESID 64  AND NAME HA   )    4.6   1.4   1.4 
ASSIGN (RESID 69  AND NAME HN   ) (RESID 67  AND NAME HA   )    3.9   1.2   1.2 
ASSIGN (RESID 68  AND NAME HG2* ) (RESID 67  AND NAME HA   )    4.7   1.4   1.4 
ASSIGN (RESID 24  AND NAME HB1  ) (RESID 67  AND NAME HA   )    4.4   1.3   1.3 
ASSIGN (RESID 67  AND NAME HG1  ) (RESID 67  AND NAME HA   )    3.8   1.1   1.1 
ASSIGN (RESID 74  AND NAME HE3  ) (RESID 74  AND NAME HA   )    3.5   1.1   1.1 
ASSIGN (RESID 74  AND NAME HD1  ) (RESID 74  AND NAME HA   )    4.2   1.3   1.3 
ASSIGN (RESID 64  AND NAME HE1  ) (RESID 56  AND NAME HA   )    3.9   1.2   1.2 
ASSIGN (RESID 58  AND NAME HN   ) (RESID 56  AND NAME HA   )    3.7   1.1   1.1 
ASSIGN (RESID 57  AND NAME HD2  ) (RESID 56  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 56  AND NAME HB2  ) (RESID 56  AND NAME HA   )    3.8   1.1   1.1 
ASSIGN (RESID 57  AND NAME HD1  ) (RESID 56  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 57  AND NAME HG2  ) (RESID 56  AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 54  AND NAME HN   ) (RESID 18  AND NAME HA   )    3.1   0.9   0.9 
ASSIGN (RESID 19  AND NAME HN   ) (RESID 18  AND NAME HA   )    3.6   1.1   1.1 
ASSIGN (RESID 53  AND NAME HD*  ) (RESID 18  AND NAME HA   )    4.6   1.4   1.4 
ASSIGN (RESID 18  AND NAME HB2  ) (RESID 18  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 17  AND NAME HG2* ) (RESID 18  AND NAME HA   )    4.8   1.4   1.4 
ASSIGN (RESID 46  AND NAME HN   ) (RESID 44  AND NAME HA   )    3.8   1.1   1.1 
ASSIGN (RESID 12  AND NAME HN   ) (RESID 12  AND NAME HA   )    3.4   1.0   1.0 
ASSIGN (RESID 44  AND NAME HE*  ) (RESID 44  AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 12  AND NAME HB1  ) (RESID 12  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 45  AND NAME HG2  ) (RESID 44  AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 12  AND NAME HD21 ) (RESID 12  AND NAME HA   )    4.3   1.3   1.3 
ASSIGN (RESID 13  AND NAME HN   ) (RESID 12  AND NAME HA   )    3.3   1.0   1.0 
ASSIGN (RESID 44  AND NAME HN   ) (RESID 44  AND NAME HA   )    2.7   0.8   0.8 
ASSIGN (RESID 44  AND NAME HD*  ) (RESID 44  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 45  AND NAME HD2  ) (RESID 44  AND NAME HA   )    2.8   0.8   0.8 
ASSIGN (RESID 45  AND NAME HD1  ) (RESID 44  AND NAME HA   )    3.4   1.0   1.0 
ASSIGN (RESID 7   AND NAME HN   ) (RESID 6   AND NAME HA   )    2.6   0.8   0.8 
ASSIGN (RESID 80  AND NAME HG1  ) (RESID 5   AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 72  AND NAME HN   ) (RESID 69  AND NAME HA   )    4.2   1.2   1.2 
ASSIGN (RESID 70  AND NAME HD2  ) (RESID 69  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 24  AND NAME HD*  ) (RESID 69  AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 69  AND NAME HN   ) (RESID 69  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 72  AND NAME HB2  ) (RESID 69  AND NAME HA   )    4.5   1.4   1.4 
ASSIGN (RESID 70  AND NAME HG2  ) (RESID 69  AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 55  AND NAME HB1  ) (RESID 55  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 55  AND NAME HB2  ) (RESID 55  AND NAME HA   )    3.4   1.0   1.0 
ASSIGN (RESID 29  AND NAME HZ3  ) (RESID 29  AND NAME HH2  )    2.9   0.9   0.9 
ASSIGN (RESID 49  AND NAME HD1* ) (RESID 29  AND NAME HH2  )    5.0   1.5   1.5 
ASSIGN (RESID 55  AND NAME HD2  ) (RESID 55  AND NAME HA   )    3.1   0.9   0.9 
ASSIGN (RESID 63  AND NAME HD1  ) (RESID 62  AND NAME HA   )    3.1   0.9   0.9 
ASSIGN (RESID 61  AND NAME HN   ) (RESID 62  AND NAME HA   )    4.4   1.3   1.3 
ASSIGN (RESID 63  AND NAME HD2  ) (RESID 62  AND NAME HA   )    3.4   1.0   1.0 
ASSIGN (RESID 62  AND NAME HB2  ) (RESID 62  AND NAME HA   )    3.1   0.9   0.9 
ASSIGN (RESID 62  AND NAME HG*  ) (RESID 62  AND NAME HA   )    4.3   1.3   1.3 
ASSIGN (RESID 54  AND NAME HN   ) (RESID 53  AND NAME HA   )    2.6   0.8   0.8 
ASSIGN (RESID 66  AND NAME HE*  ) (RESID 64  AND NAME HZ3  )    4.0   1.2   1.2 
ASSIGN (RESID 56  AND NAME HD22 ) (RESID 62  AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 65  AND NAME HN   ) (RESID 64  AND NAME HZ3  )    5.0   1.5   1.5 
ASSIGN (RESID 18  AND NAME HA   ) (RESID 53  AND NAME HA   )    3.6   1.1   1.1 
ASSIGN (RESID 76  AND NAME HD2* ) (RESID 62  AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 64  AND NAME HH2  ) (RESID 64  AND NAME HZ3  )    3.1   0.9   0.9 
ASSIGN (RESID 35  AND NAME HN   ) (RESID 35  AND NAME HA   )    3.1   0.9   0.9 
ASSIGN (RESID 36  AND NAME HB*  ) (RESID 35  AND NAME HA   )    4.2   1.3   1.3 
ASSIGN (RESID 33  AND NAME HB*  ) (RESID 35  AND NAME HA   )    4.3   1.3   1.3 
ASSIGN (RESID 27  AND NAME HN   ) (RESID 26  AND NAME HA   )    2.5   0.8   0.8 
ASSIGN (RESID 26  AND NAME HN   ) (RESID 26  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 67  AND NAME HA   ) (RESID 26  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 26  AND NAME HB2  ) (RESID 26  AND NAME HA   )    4.2   1.3   1.3 
ASSIGN (RESID 46  AND NAME HN   ) (RESID 46  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 48  AND NAME HN   ) (RESID 46  AND NAME HA   )    4.6   1.4   1.4 
ASSIGN (RESID 47  AND NAME HN   ) (RESID 46  AND NAME HA   )    3.5   1.0   1.0 
ASSIGN (RESID 68  AND NAME HG2* ) (RESID 26  AND NAME HA   )    4.9   1.5   1.5 
ASSIGN (RESID 17  AND NAME HD1* ) (RESID 4   AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 71  AND NAME HN   ) (RESID 71  AND NAME HA   )    2.9   0.9   0.9 
ASSIGN (RESID 4   AND NAME HN   ) (RESID 4   AND NAME HA   )    3.1   0.9   0.9 
ASSIGN (RESID 5   AND NAME HN   ) (RESID 4   AND NAME HA   )    2.7   0.8   0.8 
ASSIGN (RESID 37  AND NAME HD2  ) (RESID 37  AND NAME HA   )    4.0   1.2   1.2 
ASSIGN (RESID 13  AND NAME HE*  ) (RESID 4   AND NAME HA   )    3.7   1.1   1.1 
ASSIGN (RESID 4   AND NAME HB1  ) (RESID 4   AND NAME HA   )    3.4   1.0   1.0 
ASSIGN (RESID 37  AND NAME HN   ) (RESID 37  AND NAME HA   )    3.6   1.1   1.1 
ASSIGN (RESID 38  AND NAME HN   ) (RESID 37  AND NAME HA   )    2.8   0.8   0.8 
ASSIGN (RESID 66  AND NAME HZ   ) (RESID 37  AND NAME HA   )    4.4   1.3   1.3 
ASSIGN (RESID 39  AND NAME HE*  ) (RESID 58  AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 59  AND NAME HN   ) (RESID 58  AND NAME HA   )    2.9   0.9   0.9 
ASSIGN (RESID 58  AND NAME HB2  ) (RESID 58  AND NAME HA   )    2.5   0.8   0.8 
ASSIGN (RESID 32  AND NAME HN   ) (RESID 31  AND NAME HA   )    2.5   0.8   0.8 
ASSIGN (RESID 31  AND NAME HN   ) (RESID 31  AND NAME HA   )    3.1   0.9   0.9 
ASSIGN (RESID 62  AND NAME HD*  ) (RESID 78  AND NAME HA   )    3.8   1.1   1.1 
ASSIGN (RESID 33  AND NAME HN   ) (RESID 31  AND NAME HA   )    3.4   1.0   1.0 
ASSIGN (RESID 32  AND NAME HB1  ) (RESID 31  AND NAME HA   )    4.3   1.3   1.3 
ASSIGN (RESID 29  AND NAME HE1  ) (RESID 52  AND NAME HA   )    3.9   1.2   1.2 
ASSIGN (RESID 27  AND NAME HN   ) (RESID 52  AND NAME HA   )    3.9   1.2   1.2 
ASSIGN (RESID 6   AND NAME HN   ) (RESID 81  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 21  AND NAME HN   ) (RESID 20  AND NAME HA   )    2.4   0.7   0.7 
ASSIGN (RESID 82  AND NAME HN   ) (RESID 81  AND NAME HA   )    2.5   0.8   0.8 
ASSIGN (RESID 20  AND NAME HG2* ) (RESID 20  AND NAME HA   )    3.3   1.0   1.0 
ASSIGN (RESID 14  AND NAME HB2  ) (RESID 14  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 40  AND NAME HD1* ) (RESID 40  AND NAME HA   )    4.1   1.2   1.2 
ASSIGN (RESID 83  AND NAME HN   ) (RESID 82  AND NAME HA   )    2.4   0.7   0.7 
ASSIGN (RESID 22  AND NAME HB1  ) (RESID 22  AND NAME HA   )    3.1   0.9   0.9 
ASSIGN (RESID 22  AND NAME HN   ) (RESID 20  AND NAME HB   )    2.9   0.9   0.9 
ASSIGN (RESID 76  AND NAME HN   ) (RESID 76  AND NAME HA   )    3.6   1.1   1.1 
ASSIGN (RESID 74  AND NAME HZ3  ) (RESID 76  AND NAME HA   )    3.7   1.1   1.1 
ASSIGN (RESID 64  AND NAME HA   ) (RESID 76  AND NAME HA   )    3.3   1.0   1.0 
ASSIGN (RESID 68  AND NAME HA   ) (RESID 68  AND NAME HB   )    3.2   1.0   1.0 
ASSIGN (RESID 64  AND NAME HB1  ) (RESID 76  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 37  AND NAME HN   ) (RESID 36  AND NAME HA   )    2.6   0.8   0.8 
ASSIGN (RESID 65  AND NAME HN   ) (RESID 76  AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 64  AND NAME HB2  ) (RESID 76  AND NAME HA   )    3.5   1.0   1.0 
ASSIGN (RESID 57  AND NAME HD2  ) (RESID 57  AND NAME HA   )    4.2   1.3   1.3 
ASSIGN (RESID 68  AND NAME HG2* ) (RESID 68  AND NAME HB   )    3.0   0.9   0.9 
ASSIGN (RESID 3   AND NAME HN   ) (RESID 2   AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 74  AND NAME HN   ) (RESID 72  AND NAME HA   )    4.7   1.4   1.4 
ASSIGN (RESID 73  AND NAME HN   ) (RESID 72  AND NAME HA   )    2.5   0.7   0.7 
ASSIGN (RESID 37  AND NAME HB2  ) (RESID 38  AND NAME HA2  )    5.0   1.5   1.5 
ASSIGN (RESID 38  AND NAME HN   ) (RESID 38  AND NAME HA2  )    2.9   0.9   0.9 
ASSIGN (RESID 46  AND NAME HB*  ) (RESID 47  AND NAME HA   )    4.3   1.3   1.3 
ASSIGN (RESID 75  AND NAME HB2  ) (RESID 20  AND NAME HB   )    3.0   0.9   0.9 
ASSIGN (RESID 75  AND NAME HB1  ) (RESID 20  AND NAME HB   )    2.9   0.9   0.9 
ASSIGN (RESID 20  AND NAME HG2* ) (RESID 20  AND NAME HB   )    3.0   0.9   0.9 
ASSIGN (RESID 48  AND NAME HN   ) (RESID 47  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 23  AND NAME HA1  ) (RESID 20  AND NAME HB   )    3.6   1.1   1.1 
ASSIGN (RESID 47  AND NAME HN   ) (RESID 47  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 55  AND NAME HN   ) (RESID 54  AND NAME HA   )    2.7   0.8   0.8 
ASSIGN (RESID 26  AND NAME HN   ) (RESID 25  AND NAME HA   )    2.4   0.7   0.7 
ASSIGN (RESID 29  AND NAME HZ2  ) (RESID 54  AND NAME HA   )    3.6   1.1   1.1 
ASSIGN (RESID 19  AND NAME HA   ) (RESID 25  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 25  AND NAME HG*  ) (RESID 25  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 45  AND NAME HB*  ) (RESID 45  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 45  AND NAME HG2  ) (RESID 45  AND NAME HA   )    3.3   1.0   1.0 
ASSIGN (RESID 46  AND NAME HN   ) (RESID 45  AND NAME HA   )    2.9   0.9   0.9 
ASSIGN (RESID 18  AND NAME HA   ) (RESID 18  AND NAME HB1  )    4.2   1.3   1.3 
ASSIGN (RESID 32  AND NAME HG1  ) (RESID 32  AND NAME HA   )    4.9   1.5   1.5 
ASSIGN (RESID 18  AND NAME HN   ) (RESID 18  AND NAME HB1  )    3.5   1.1   1.1 
ASSIGN (RESID 13  AND NAME HN   ) (RESID 13  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 13  AND NAME HD*  ) (RESID 13  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 52  AND NAME HD22 ) (RESID 18  AND NAME HB1  )    3.2   1.0   1.0 
ASSIGN (RESID 53  AND NAME HD*  ) (RESID 18  AND NAME HB1  )    4.4   1.3   1.3 
ASSIGN (RESID 13  AND NAME HB2  ) (RESID 13  AND NAME HA   )    3.1   0.9   0.9 
ASSIGN (RESID 13  AND NAME HB1  ) (RESID 13  AND NAME HA   )    3.7   1.1   1.1 
ASSIGN (RESID 32  AND NAME HB1  ) (RESID 32  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 32  AND NAME HB2  ) (RESID 32  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 79  AND NAME HG12 ) (RESID 79  AND NAME HA   )    3.4   1.0   1.0 
ASSIGN (RESID 79  AND NAME HG11 ) (RESID 79  AND NAME HA   )    4.0   1.2   1.2 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 79  AND NAME HA   )    3.5   1.0   1.0 
ASSIGN (RESID 29  AND NAME HZ3  ) (RESID 65  AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 65  AND NAME HB1  ) (RESID 65  AND NAME HA   )    3.1   0.9   0.9 
ASSIGN (RESID 65  AND NAME HN   ) (RESID 65  AND NAME HA   )    3.4   1.0   1.0 
ASSIGN (RESID 66  AND NAME HN   ) (RESID 65  AND NAME HA   )    2.8   0.8   0.8 
ASSIGN (RESID 29  AND NAME HZ2  ) (RESID 65  AND NAME HA   )    3.5   1.1   1.1 
ASSIGN (RESID 65  AND NAME HB2  ) (RESID 65  AND NAME HA   )    3.5   1.1   1.1 
ASSIGN (RESID 4   AND NAME HN   ) (RESID 3   AND NAME HA   )    2.7   0.8   0.8 
ASSIGN (RESID 5   AND NAME HN   ) (RESID 3   AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 3   AND NAME HB2  ) (RESID 3   AND NAME HA   )    2.9   0.9   0.9 
ASSIGN (RESID 50  AND NAME HN   ) (RESID 50  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 51  AND NAME HA   ) (RESID 50  AND NAME HA   )    3.5   1.1   1.1 
ASSIGN (RESID 50  AND NAME HB1  ) (RESID 50  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 25  AND NAME HB2  ) (RESID 24  AND NAME HA   )    4.2   1.2   1.2 
ASSIGN (RESID 69  AND NAME HN   ) (RESID 67  AND NAME HB   )    3.0   0.9   0.9 
ASSIGN (RESID 67  AND NAME HG1  ) (RESID 67  AND NAME HB   )    3.2   1.0   1.0 
ASSIGN (RESID 27  AND NAME HN   ) (RESID 67  AND NAME HB   )    3.9   1.2   1.2 
ASSIGN (RESID 47  AND NAME HN   ) (RESID 48  AND NAME HA   )    4.6   1.4   1.4 
ASSIGN (RESID 67  AND NAME HA   ) (RESID 67  AND NAME HB   )    3.0   0.9   0.9 
ASSIGN (RESID 48  AND NAME HB2  ) (RESID 48  AND NAME HA   )    3.1   0.9   0.9 
ASSIGN (RESID 48  AND NAME HD21 ) (RESID 48  AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 48  AND NAME HB1  ) (RESID 48  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 83  AND NAME HG2* ) (RESID 83  AND NAME HB   )    3.6   1.1   1.1 
ASSIGN (RESID 29  AND NAME HN   ) (RESID 29  AND NAME HA   )    3.5   1.1   1.1 
ASSIGN (RESID 29  AND NAME HB2  ) (RESID 29  AND NAME HA   )    3.4   1.0   1.0 
ASSIGN (RESID 28  AND NAME HB*  ) (RESID 29  AND NAME HA   )    4.5   1.4   1.4 
ASSIGN (RESID 30  AND NAME HN   ) (RESID 29  AND NAME HA   )    4.5   1.4   1.4 
ASSIGN (RESID 29  AND NAME HB1  ) (RESID 29  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 56  AND NAME HB1  ) (RESID 11  AND NAME HA   )    3.5   1.1   1.1 
ASSIGN (RESID 11  AND NAME HN   ) (RESID 11  AND NAME HA   )    3.1   0.9   0.9 
ASSIGN (RESID 13  AND NAME HN   ) (RESID 11  AND NAME HA   )    4.5   1.3   1.3 
ASSIGN (RESID 56  AND NAME HD21 ) (RESID 11  AND NAME HA   )    4.9   1.5   1.5 
ASSIGN (RESID 56  AND NAME HB2  ) (RESID 11  AND NAME HA   )    2.9   0.9   0.9 
ASSIGN (RESID 41  AND NAME HB1  ) (RESID 41  AND NAME HA   )    2.7   0.8   0.8 
ASSIGN (RESID 49  AND NAME HD2* ) (RESID 41  AND NAME HA   )    3.5   1.0   1.0 
ASSIGN (RESID 44  AND NAME HB2  ) (RESID 41  AND NAME HA   )    3.7   1.1   1.1 
ASSIGN (RESID 45  AND NAME HD2  ) (RESID 43  AND NAME HA   )    4.0   1.2   1.2 
ASSIGN (RESID 82  AND NAME HB1  ) (RESID 83  AND NAME HA   )    3.6   1.1   1.1 
ASSIGN (RESID 43  AND NAME HB1  ) (RESID 43  AND NAME HA   )    2.5   0.8   0.8 
ASSIGN (RESID 32  AND NAME HN   ) (RESID 31  AND NAME HB1  )    4.8   1.4   1.4 
ASSIGN (RESID 13  AND NAME HD*  ) (RESID 10  AND NAME HA2  )    4.6   1.4   1.4 
ASSIGN (RESID 63  AND NAME HB2  ) (RESID 63  AND NAME HA   )    3.3   1.0   1.0 
ASSIGN (RESID 83  AND NAME HG2* ) (RESID 83  AND NAME HA   )    4.2   1.3   1.3 
ASSIGN (RESID 78  AND NAME HN   ) (RESID 21  AND NAME HA   )    3.6   1.1   1.1 
ASSIGN (RESID 11  AND NAME HN   ) (RESID 10  AND NAME HA2  )    3.6   1.1   1.1 
ASSIGN (RESID 55  AND NAME HN   ) (RESID 63  AND NAME HA   )    3.7   1.1   1.1 
ASSIGN (RESID 10  AND NAME HN   ) (RESID 10  AND NAME HA2  )    2.5   0.8   0.8 
ASSIGN (RESID 64  AND NAME HN   ) (RESID 63  AND NAME HA   )    2.6   0.8   0.8 
ASSIGN (RESID 22  AND NAME HN   ) (RESID 21  AND NAME HA   )    3.7   1.1   1.1 
ASSIGN (RESID 13  AND NAME HN   ) (RESID 10  AND NAME HA2  )    3.8   1.1   1.1 
ASSIGN (RESID 13  AND NAME HB2  ) (RESID 10  AND NAME HA2  )    3.2   1.0   1.0 
ASSIGN (RESID 76  AND NAME HD2* ) (RESID 63  AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 78  AND NAME HB1  ) (RESID 21  AND NAME HA   )    3.8   1.1   1.1 
ASSIGN (RESID 69  AND NAME HB2  ) (RESID 70  AND NAME HD2  )    4.0   1.2   1.2 
ASSIGN (RESID 70  AND NAME HB1  ) (RESID 70  AND NAME HD2  )    3.3   1.0   1.0 
ASSIGN (RESID 70  AND NAME HG2  ) (RESID 70  AND NAME HD2  )    3.3   1.0   1.0 
ASSIGN (RESID 21  AND NAME HB1  ) (RESID 21  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 72  AND NAME HN   ) (RESID 70  AND NAME HD2  )    4.8   1.4   1.4 
ASSIGN (RESID 16  AND NAME HN   ) (RESID 15  AND NAME HA2  )    2.9   0.9   0.9 
ASSIGN (RESID 15  AND NAME HA1  ) (RESID 15  AND NAME HA2  )    2.4   0.7   0.7 
ASSIGN (RESID 16  AND NAME HG2  ) (RESID 15  AND NAME HA2  )    4.4   1.3   1.3 
ASSIGN (RESID 53  AND NAME HN   ) (RESID 28  AND NAME HA   )    3.6   1.1   1.1 
ASSIGN (RESID 29  AND NAME HD1  ) (RESID 28  AND NAME HA   )    3.9   1.2   1.2 
ASSIGN (RESID 27  AND NAME HG2  ) (RESID 28  AND NAME HA   )    3.6   1.1   1.1 
ASSIGN (RESID 62  AND NAME HB2  ) (RESID 63  AND NAME HD2  )    4.7   1.4   1.4 
ASSIGN (RESID 62  AND NAME HB1  ) (RESID 63  AND NAME HD2  )    3.6   1.1   1.1 
ASSIGN (RESID 63  AND NAME HG1  ) (RESID 63  AND NAME HD2  )    3.1   0.9   0.9 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 63  AND NAME HD2  )    5.0   1.5   1.5 
ASSIGN (RESID 77  AND NAME HN   ) (RESID 63  AND NAME HD2  )    5.0   1.5   1.5 
ASSIGN (RESID 28  AND NAME HN   ) (RESID 28  AND NAME HA   )    3.3   1.0   1.0 
ASSIGN (RESID 30  AND NAME HN   ) (RESID 28  AND NAME HA   )    4.0   1.2   1.2 
ASSIGN (RESID 63  AND NAME HD1  ) (RESID 63  AND NAME HD2  )    2.3   0.7   0.7 
ASSIGN (RESID 28  AND NAME HB*  ) (RESID 28  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 22  AND NAME HN   ) (RESID 22  AND NAME HB2  )    3.3   1.0   1.0 
ASSIGN (RESID 62  AND NAME HN   ) (RESID 61  AND NAME HA   )    3.7   1.1   1.1 
ASSIGN (RESID 61  AND NAME HB2  ) (RESID 61  AND NAME HA   )    2.6   0.8   0.8 
ASSIGN (RESID 61  AND NAME HD1* ) (RESID 61  AND NAME HA   )    3.4   1.0   1.0 
ASSIGN (RESID 34  AND NAME HD1  ) (RESID 68  AND NAME HA   )    2.9   0.9   0.9 
ASSIGN (RESID 68  AND NAME HG2* ) (RESID 68  AND NAME HA   )    3.3   1.0   1.0 
ASSIGN (RESID 17  AND NAME HD1* ) (RESID 17  AND NAME HA   )    3.8   1.1   1.1 
ASSIGN (RESID 54  AND NAME HN   ) (RESID 17  AND NAME HA   )    4.6   1.4   1.4 
ASSIGN (RESID 19  AND NAME HN   ) (RESID 17  AND NAME HA   )    3.6   1.1   1.1 
ASSIGN (RESID 17  AND NAME HB   ) (RESID 17  AND NAME HA   )    2.8   0.8   0.8 
ASSIGN (RESID 18  AND NAME HB2  ) (RESID 17  AND NAME HA   )    3.9   1.2   1.2 
ASSIGN (RESID 56  AND NAME HD22 ) (RESID 9   AND NAME HB*  )    3.7   1.1   1.1 
ASSIGN (RESID 56  AND NAME HD21 ) (RESID 9   AND NAME HB*  )    3.8   1.1   1.1 
ASSIGN (RESID 32  AND NAME HN   ) (RESID 31  AND NAME HB2  )    3.4   1.0   1.0 
ASSIGN (RESID 11  AND NAME HN   ) (RESID 9   AND NAME HB*  )    4.1   1.2   1.2 
ASSIGN (RESID 13  AND NAME HB2  ) (RESID 10  AND NAME HA1  )    3.8   1.1   1.1 
ASSIGN (RESID 10  AND NAME HN   ) (RESID 10  AND NAME HA1  )    2.9   0.9   0.9 
ASSIGN (RESID 69  AND NAME HB2  ) (RESID 70  AND NAME HD1  )    4.0   1.2   1.2 
ASSIGN (RESID 6   AND NAME HB2  ) (RESID 10  AND NAME HA1  )    3.6   1.1   1.1 
ASSIGN (RESID 44  AND NAME HN   ) (RESID 42  AND NAME HB*  )    5.0   1.5   1.5 
ASSIGN (RESID 30  AND NAME HB2  ) (RESID 41  AND NAME HD*  )    5.0   1.5   1.5 
ASSIGN (RESID 41  AND NAME HB1  ) (RESID 41  AND NAME HD*  )    4.6   1.4   1.4 
ASSIGN (RESID 27  AND NAME HN   ) (RESID 27  AND NAME HA   )    3.3   1.0   1.0 
ASSIGN (RESID 34  AND NAME HD1  ) (RESID 34  AND NAME HD2  )    2.2   0.7   0.7 
ASSIGN (RESID 34  AND NAME HG2  ) (RESID 34  AND NAME HD2  )    2.9   0.9   0.9 
ASSIGN (RESID 68  AND NAME HG2* ) (RESID 27  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 3   AND NAME HN   ) (RESID 2   AND NAME HB*  )    4.5   1.3   1.3 
ASSIGN (RESID 66  AND NAME HE*  ) (RESID 39  AND NAME HB2  )    3.4   1.0   1.0 
ASSIGN (RESID 39  AND NAME HE*  ) (RESID 39  AND NAME HB2  )    5.0   1.5   1.5 
ASSIGN (RESID 39  AND NAME HB1  ) (RESID 39  AND NAME HB2  )    2.3   0.7   0.7 
ASSIGN (RESID 29  AND NAME HZ3  ) (RESID 39  AND NAME HB2  )    3.4   1.0   1.0 
ASSIGN (RESID 49  AND NAME HD2* ) (RESID 39  AND NAME HB2  )    4.4   1.3   1.3 
ASSIGN (RESID 80  AND NAME HD1  ) (RESID 80  AND NAME HD2  )    2.3   0.7   0.7 
ASSIGN (RESID 80  AND NAME HG2  ) (RESID 80  AND NAME HD2  )    3.0   0.9   0.9 
ASSIGN (RESID 80  AND NAME HB2  ) (RESID 80  AND NAME HD2  )    5.0   1.5   1.5 
ASSIGN (RESID 17  AND NAME HD1* ) (RESID 80  AND NAME HD2  )    3.4   1.0   1.0 
ASSIGN (RESID 79  AND NAME HG2* ) (RESID 80  AND NAME HD2  )    3.8   1.1   1.1 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 80  AND NAME HD2  )    5.0   1.5   1.5 
ASSIGN (RESID 80  AND NAME HB1  ) (RESID 80  AND NAME HD2  )    3.3   1.0   1.0 
ASSIGN (RESID 59  AND NAME HB2  ) (RESID 59  AND NAME HA   )    2.5   0.8   0.8 
ASSIGN (RESID 58  AND NAME HN   ) (RESID 59  AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 30  AND NAME HN   ) (RESID 29  AND NAME HB1  )    3.7   1.1   1.1 
ASSIGN (RESID 29  AND NAME HN   ) (RESID 29  AND NAME HB1  )    3.3   1.0   1.0 
ASSIGN (RESID 59  AND NAME HD*  ) (RESID 59  AND NAME HA   )    3.6   1.1   1.1 
ASSIGN (RESID 59  AND NAME HG*  ) (RESID 59  AND NAME HA   )    3.3   1.0   1.0 
ASSIGN (RESID 60  AND NAME HN   ) (RESID 59  AND NAME HA   )    2.8   0.8   0.8 
ASSIGN (RESID 59  AND NAME HB1  ) (RESID 59  AND NAME HA   )    2.9   0.9   0.9 
ASSIGN (RESID 51  AND NAME HD*  ) (RESID 51  AND NAME HA   )    3.4   1.0   1.0 
ASSIGN (RESID 51  AND NAME HG1  ) (RESID 51  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 51  AND NAME HB1  ) (RESID 51  AND NAME HA   )    2.8   0.8   0.8 
ASSIGN (RESID 49  AND NAME HD1* ) (RESID 29  AND NAME HB1  )    5.0   1.5   1.5 
ASSIGN (RESID 13  AND NAME HD*  ) (RESID 55  AND NAME HD2  )    3.9   1.2   1.2 
ASSIGN (RESID 55  AND NAME HD1  ) (RESID 55  AND NAME HD2  )    2.3   0.7   0.7 
ASSIGN (RESID 40  AND NAME HD1* ) (RESID 38  AND NAME HA1  )    4.9   1.5   1.5 
ASSIGN (RESID 20  AND NAME HG2* ) (RESID 75  AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 77  AND NAME HN   ) (RESID 64  AND NAME HB2  )    5.0   1.5   1.5 
ASSIGN (RESID 75  AND NAME HN   ) (RESID 75  AND NAME HA   )    3.1   0.9   0.9 
ASSIGN (RESID 75  AND NAME HB2  ) (RESID 75  AND NAME HA   )    3.8   1.1   1.1 
ASSIGN (RESID 64  AND NAME HE3  ) (RESID 64  AND NAME HB2  )    3.2   1.0   1.0 
ASSIGN (RESID 64  AND NAME HB1  ) (RESID 64  AND NAME HB2  )    2.4   0.7   0.7 
ASSIGN (RESID 58  AND NAME HN   ) (RESID 57  AND NAME HD2  )    3.3   1.0   1.0 
ASSIGN (RESID 64  AND NAME HZ2  ) (RESID 57  AND NAME HD2  )    3.6   1.1   1.1 
ASSIGN (RESID 57  AND NAME HD1  ) (RESID 57  AND NAME HD2  )    2.3   0.7   0.7 
ASSIGN (RESID 57  AND NAME HG1  ) (RESID 57  AND NAME HD2  )    3.0   0.9   0.9 
ASSIGN (RESID 49  AND NAME HD1* ) (RESID 57  AND NAME HD2  )    5.0   1.5   1.5 
ASSIGN (RESID 46  AND NAME HN   ) (RESID 45  AND NAME HD2  )    3.7   1.1   1.1 
ASSIGN (RESID 45  AND NAME HD1  ) (RESID 45  AND NAME HD2  )    2.3   0.7   0.7 
ASSIGN (RESID 45  AND NAME HB*  ) (RESID 45  AND NAME HD2  )    3.8   1.1   1.1 
ASSIGN (RESID 80  AND NAME HG2  ) (RESID 80  AND NAME HD1  )    2.9   0.9   0.9 
ASSIGN (RESID 80  AND NAME HG1  ) (RESID 80  AND NAME HD1  )    2.5   0.7   0.7 
ASSIGN (RESID 80  AND NAME HB2  ) (RESID 80  AND NAME HD1  )    5.0   1.5   1.5 
ASSIGN (RESID 45  AND NAME HG1  ) (RESID 45  AND NAME HD2  )    2.7   0.8   0.8 
ASSIGN (RESID 17  AND NAME HD1* ) (RESID 80  AND NAME HD1  )    3.8   1.1   1.1 
ASSIGN (RESID 79  AND NAME HG2* ) (RESID 80  AND NAME HD1  )    3.3   1.0   1.0 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 80  AND NAME HD1  )    5.0   1.5   1.5 
ASSIGN (RESID 73  AND NAME HD1  ) (RESID 73  AND NAME HD2  )    2.3   0.7   0.7 
ASSIGN (RESID 73  AND NAME HG*  ) (RESID 73  AND NAME HD2  )    3.3   1.0   1.0 
ASSIGN (RESID 73  AND NAME HE   ) (RESID 73  AND NAME HD2  )    3.7   1.1   1.1 
ASSIGN (RESID 53  AND NAME HE*  ) (RESID 18  AND NAME HB2  )    4.5   1.3   1.3 
ASSIGN (RESID 54  AND NAME HN   ) (RESID 18  AND NAME HB2  )    4.0   1.2   1.2 
ASSIGN (RESID 32  AND NAME HN   ) (RESID 33  AND NAME HB*  )    5.0   1.5   1.5 
ASSIGN (RESID 52  AND NAME HD22 ) (RESID 18  AND NAME HB2  )    4.2   1.3   1.3 
ASSIGN (RESID 19  AND NAME HN   ) (RESID 18  AND NAME HB2  )    5.0   1.5   1.5 
ASSIGN (RESID 23  AND NAME HN   ) (RESID 23  AND NAME HA1  )    2.6   0.8   0.8 
ASSIGN (RESID 24  AND NAME HN   ) (RESID 23  AND NAME HA1  )    3.5   1.1   1.1 
ASSIGN (RESID 22  AND NAME HN   ) (RESID 23  AND NAME HA1  )    3.3   1.0   1.0 
ASSIGN (RESID 24  AND NAME HD*  ) (RESID 23  AND NAME HA1  )    5.0   1.5   1.5 
ASSIGN (RESID 49  AND NAME HB2  ) (RESID 49  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 49  AND NAME HG   ) (RESID 49  AND NAME HA   )    4.5   1.3   1.3 
ASSIGN (RESID 29  AND NAME HE1  ) (RESID 49  AND NAME HA   )    4.2   1.3   1.3 
ASSIGN (RESID 29  AND NAME HD1  ) (RESID 49  AND NAME HA   )    4.1   1.2   1.2 
ASSIGN (RESID 49  AND NAME HB1  ) (RESID 49  AND NAME HA   )    2.8   0.8   0.8 
ASSIGN (RESID 49  AND NAME HD1* ) (RESID 49  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 65  AND NAME HB1  ) (RESID 65  AND NAME HB2  )    2.4   0.7   0.7 
ASSIGN (RESID 26  AND NAME HB1  ) (RESID 65  AND NAME HB2  )    3.0   0.9   0.9 
ASSIGN (RESID 29  AND NAME HZ2  ) (RESID 65  AND NAME HB2  )    3.7   1.1   1.1 
ASSIGN (RESID 54  AND NAME HN   ) (RESID 54  AND NAME HB2  )    2.8   0.9   0.9 
ASSIGN (RESID 64  AND NAME HN   ) (RESID 64  AND NAME HB1  )    3.8   1.1   1.1 
ASSIGN (RESID 74  AND NAME HE3  ) (RESID 64  AND NAME HB1  )    2.9   0.9   0.9 
ASSIGN (RESID 64  AND NAME HE3  ) (RESID 64  AND NAME HB1  )    3.2   1.0   1.0 
ASSIGN (RESID 54  AND NAME HB1  ) (RESID 54  AND NAME HB2  )    2.2   0.7   0.7 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 54  AND NAME HB2  )    3.6   1.1   1.1 
ASSIGN (RESID 76  AND NAME HD2* ) (RESID 64  AND NAME HB1  )    3.4   1.0   1.0 
ASSIGN (RESID 17  AND NAME HB   ) (RESID 54  AND NAME HB2  )    4.2   1.3   1.3 
ASSIGN (RESID 73  AND NAME HE   ) (RESID 73  AND NAME HD1  )    3.1   0.9   0.9 
ASSIGN (RESID 76  AND NAME HN   ) (RESID 64  AND NAME HB1  )    4.2   1.3   1.3 
ASSIGN (RESID 62  AND NAME HB2  ) (RESID 62  AND NAME HD*  )    3.0   0.9   0.9 
ASSIGN (RESID 76  AND NAME HD1* ) (RESID 62  AND NAME HD*  )    4.4   1.3   1.3 
ASSIGN (RESID 79  AND NAME HN   ) (RESID 62  AND NAME HD*  )    5.0   1.5   1.5 
ASSIGN (RESID 62  AND NAME HG*  ) (RESID 62  AND NAME HD*  )    3.2   1.0   1.0 
ASSIGN (RESID 16  AND NAME HG1  ) (RESID 16  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 16  AND NAME HB2  ) (RESID 16  AND NAME HA   )    2.9   0.9   0.9 
ASSIGN (RESID 81  AND NAME HN   ) (RESID 81  AND NAME HD*  )    4.9   1.5   1.5 
ASSIGN (RESID 45  AND NAME HB*  ) (RESID 45  AND NAME HD1  )    3.6   1.1   1.1 
ASSIGN (RESID 45  AND NAME HG2  ) (RESID 45  AND NAME HD1  )    2.3   0.7   0.7 
ASSIGN (RESID 35  AND NAME HN   ) (RESID 34  AND NAME HD1  )    5.0   1.5   1.5 
ASSIGN (RESID 34  AND NAME HB1  ) (RESID 34  AND NAME HD1  )    3.4   1.0   1.0 
ASSIGN (RESID 34  AND NAME HG2  ) (RESID 34  AND NAME HD1  )    3.2   1.0   1.0 
ASSIGN (RESID 27  AND NAME HN   ) (RESID 26  AND NAME HB2  )    4.0   1.2   1.2 
ASSIGN (RESID 26  AND NAME HB1  ) (RESID 26  AND NAME HB2  )    2.2   0.7   0.7 
ASSIGN (RESID 63  AND NAME HG1  ) (RESID 63  AND NAME HD1  )    3.0   0.9   0.9 
ASSIGN (RESID 63  AND NAME HB2  ) (RESID 63  AND NAME HD1  )    4.5   1.4   1.4 
ASSIGN (RESID 62  AND NAME HB2  ) (RESID 63  AND NAME HD1  )    3.6   1.1   1.1 
ASSIGN (RESID 44  AND NAME HE*  ) (RESID 39  AND NAME HB1  )    4.0   1.2   1.2 
ASSIGN (RESID 39  AND NAME HE*  ) (RESID 39  AND NAME HB1  )    5.0   1.5   1.5 
ASSIGN (RESID 29  AND NAME HZ3  ) (RESID 39  AND NAME HB1  )    3.4   1.0   1.0 
ASSIGN (RESID 49  AND NAME HD2* ) (RESID 39  AND NAME HB1  )    3.7   1.1   1.1 
ASSIGN (RESID 49  AND NAME HD1* ) (RESID 39  AND NAME HB1  )    5.0   1.5   1.5 
ASSIGN (RESID 59  AND NAME HN   ) (RESID 59  AND NAME HD*  )    3.7   1.1   1.1 
ASSIGN (RESID 59  AND NAME HB2  ) (RESID 59  AND NAME HD*  )    5.0   1.5   1.5 
ASSIGN (RESID 59  AND NAME HG*  ) (RESID 59  AND NAME HD*  )    3.2   1.0   1.0 
ASSIGN (RESID 77  AND NAME HN   ) (RESID 77  AND NAME HB2  )    3.0   0.9   0.9 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 77  AND NAME HB2  )    3.5   1.0   1.0 
ASSIGN (RESID 78  AND NAME HN   ) (RESID 77  AND NAME HB2  )    3.4   1.0   1.0 
ASSIGN (RESID 47  AND NAME HE1  ) (RESID 47  AND NAME HE2  )    2.0   0.6   0.6 
ASSIGN (RESID 47  AND NAME HG1  ) (RESID 47  AND NAME HE2  )    4.0   1.2   1.2 
ASSIGN (RESID 77  AND NAME HB1  ) (RESID 77  AND NAME HB2  )    1.9   0.6   0.6 
ASSIGN (RESID 11  AND NAME HN   ) (RESID 56  AND NAME HB2  )    4.4   1.3   1.3 
ASSIGN (RESID 56  AND NAME HD21 ) (RESID 56  AND NAME HB2  )    3.3   1.0   1.0 
ASSIGN (RESID 56  AND NAME HD22 ) (RESID 56  AND NAME HB2  )    3.9   1.2   1.2 
ASSIGN (RESID 56  AND NAME HN   ) (RESID 56  AND NAME HB2  )    2.9   0.9   0.9 
ASSIGN (RESID 5   AND NAME HN   ) (RESID 5   AND NAME HB1  )    2.6   0.8   0.8 
ASSIGN (RESID 48  AND NAME HD22 ) (RESID 48  AND NAME HB2  )    4.1   1.2   1.2 
ASSIGN (RESID 49  AND NAME HD1* ) (RESID 55  AND NAME HD1  )    4.5   1.3   1.3 
ASSIGN (RESID 58  AND NAME HN   ) (RESID 58  AND NAME HB2  )    2.8   0.8   0.8 
ASSIGN (RESID 37  AND NAME HD2  ) (RESID 37  AND NAME HB2  )    4.3   1.3   1.3 
ASSIGN (RESID 37  AND NAME HB1  ) (RESID 37  AND NAME HB2  )    2.3   0.7   0.7 
ASSIGN (RESID 37  AND NAME HN   ) (RESID 37  AND NAME HB2  )    5.0   1.5   1.5 
ASSIGN (RESID 66  AND NAME HE*  ) (RESID 37  AND NAME HB2  )    3.7   1.1   1.1 
ASSIGN (RESID 44  AND NAME HE*  ) (RESID 44  AND NAME HB1  )    5.0   1.5   1.5 
ASSIGN (RESID 44  AND NAME HN   ) (RESID 44  AND NAME HB1  )    4.0   1.2   1.2 
ASSIGN (RESID 67  AND NAME HG1  ) (RESID 69  AND NAME HB1  )    3.2   1.0   1.0 
ASSIGN (RESID 24  AND NAME HD*  ) (RESID 69  AND NAME HB1  )    3.8   1.1   1.1 
ASSIGN (RESID 49  AND NAME HD2* ) (RESID 44  AND NAME HB1  )    3.9   1.2   1.2 
ASSIGN (RESID 74  AND NAME HD1  ) (RESID 74  AND NAME HB2  )    3.5   1.0   1.0 
ASSIGN (RESID 74  AND NAME HE3  ) (RESID 74  AND NAME HB2  )    2.9   0.9   0.9 
ASSIGN (RESID 74  AND NAME HB1  ) (RESID 74  AND NAME HB2  )    2.0   0.6   0.6 
ASSIGN (RESID 12  AND NAME HN   ) (RESID 12  AND NAME HB2  )    3.6   1.1   1.1 
ASSIGN (RESID 29  AND NAME HD1  ) (RESID 29  AND NAME HB2  )    2.9   0.9   0.9 
ASSIGN (RESID 48  AND NAME HB1  ) (RESID 46  AND NAME HB*  )    5.0   1.5   1.5 
ASSIGN (RESID 41  AND NAME HB2  ) (RESID 29  AND NAME HB2  )    4.4   1.3   1.3 
ASSIGN (RESID 41  AND NAME HG2  ) (RESID 29  AND NAME HB2  )    3.4   1.0   1.0 
ASSIGN (RESID 16  AND NAME HB2  ) (RESID 16  AND NAME HE*  )    4.4   1.3   1.3 
ASSIGN (RESID 16  AND NAME HG1  ) (RESID 16  AND NAME HE*  )    3.9   1.2   1.2 
ASSIGN (RESID 83  AND NAME HN   ) (RESID 5   AND NAME HB2  )    4.8   1.4   1.4 
ASSIGN (RESID 6   AND NAME HN   ) (RESID 5   AND NAME HB2  )    2.8   0.8   0.8 
ASSIGN (RESID 82  AND NAME HN   ) (RESID 5   AND NAME HB2  )    3.2   1.0   1.0 
ASSIGN (RESID 66  AND NAME HB2  ) (RESID 66  AND NAME HB1  )    2.2   0.7   0.7 
ASSIGN (RESID 79  AND NAME HG2* ) (RESID 5   AND NAME HB2  )    5.0   1.5   1.5 
ASSIGN (RESID 66  AND NAME HD*  ) (RESID 66  AND NAME HB1  )    3.4   1.0   1.0 
ASSIGN (RESID 54  AND NAME HB1  ) (RESID 77  AND NAME HB1  )    3.0   0.9   0.9 
ASSIGN (RESID 63  AND NAME HB1  ) (RESID 77  AND NAME HB1  )    4.9   1.5   1.5 
ASSIGN (RESID 73  AND NAME HG*  ) (RESID 66  AND NAME HB1  )    4.8   1.4   1.4 
ASSIGN (RESID 27  AND NAME HN   ) (RESID 66  AND NAME HB1  )    4.9   1.5   1.5 
ASSIGN (RESID 40  AND NAME HD1* ) (RESID 43  AND NAME HE*  )    4.3   1.3   1.3 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 77  AND NAME HB1  )    3.7   1.1   1.1 
ASSIGN (RESID 77  AND NAME HN   ) (RESID 77  AND NAME HB1  )    3.2   1.0   1.0 
ASSIGN (RESID 72  AND NAME HN   ) (RESID 71  AND NAME HB1  )    3.6   1.1   1.1 
ASSIGN (RESID 19  AND NAME HN   ) (RESID 77  AND NAME HB1  )    5.0   1.5   1.5 
ASSIGN (RESID 29  AND NAME HZ2  ) (RESID 65  AND NAME HB1  )    3.2   0.9   0.9 
ASSIGN (RESID 71  AND NAME HD21 ) (RESID 71  AND NAME HB1  )    3.5   1.1   1.1 
ASSIGN (RESID 71  AND NAME HD22 ) (RESID 71  AND NAME HB1  )    4.6   1.4   1.4 
ASSIGN (RESID 76  AND NAME HN   ) (RESID 75  AND NAME HG2  )    2.9   0.9   0.9 
ASSIGN (RESID 75  AND NAME HA   ) (RESID 75  AND NAME HG2  )    3.7   1.1   1.1 
ASSIGN (RESID 28  AND NAME HB*  ) (RESID 30  AND NAME HB2  )    5.0   1.5   1.5 
ASSIGN (RESID 20  AND NAME HG1  ) (RESID 75  AND NAME HG2  )    4.1   1.2   1.2 
ASSIGN (RESID 21  AND NAME HG2  ) (RESID 75  AND NAME HG2  )    4.5   1.3   1.3 
ASSIGN (RESID 75  AND NAME HB2  ) (RESID 75  AND NAME HG2  )    3.0   0.9   0.9 
ASSIGN (RESID 50  AND NAME HB1  ) (RESID 53  AND NAME HB2  )    3.4   1.0   1.0 
ASSIGN (RESID 54  AND NAME HN   ) (RESID 53  AND NAME HB2  )    3.7   1.1   1.1 
ASSIGN (RESID 53  AND NAME HD*  ) (RESID 53  AND NAME HB2  )    3.1   0.9   0.9 
ASSIGN (RESID 53  AND NAME HE*  ) (RESID 53  AND NAME HB2  )    5.0   1.5   1.5 
ASSIGN (RESID 53  AND NAME HB1  ) (RESID 53  AND NAME HB2  )    2.3   0.7   0.7 
ASSIGN (RESID 72  AND NAME HG2  ) (RESID 72  AND NAME HE*  )    4.7   1.4   1.4 
ASSIGN (RESID 72  AND NAME HG1  ) (RESID 72  AND NAME HE*  )    4.3   1.3   1.3 
ASSIGN (RESID 29  AND NAME HE1  ) (RESID 53  AND NAME HB2  )    4.2   1.2   1.2 
ASSIGN (RESID 12  AND NAME HN   ) (RESID 12  AND NAME HB1  )    3.3   1.0   1.0 
ASSIGN (RESID 12  AND NAME HD21 ) (RESID 12  AND NAME HB1  )    3.2   1.0   1.0 
ASSIGN (RESID 48  AND NAME HD22 ) (RESID 48  AND NAME HB1  )    3.5   1.0   1.0 
ASSIGN (RESID 48  AND NAME HN   ) (RESID 48  AND NAME HB1  )    3.6   1.1   1.1 
ASSIGN (RESID 48  AND NAME HB2  ) (RESID 48  AND NAME HB1  )    2.2   0.7   0.7 
ASSIGN (RESID 21  AND NAME HB2  ) (RESID 78  AND NAME HB1  )    4.8   1.4   1.4 
ASSIGN (RESID 79  AND NAME HN   ) (RESID 78  AND NAME HB1  )    4.6   1.4   1.4 
ASSIGN (RESID 21  AND NAME HB1  ) (RESID 78  AND NAME HB1  )    3.9   1.2   1.2 
ASSIGN (RESID 71  AND NAME HN   ) (RESID 71  AND NAME HB2  )    2.8   0.8   0.8 
ASSIGN (RESID 71  AND NAME HD21 ) (RESID 71  AND NAME HB2  )    2.9   0.9   0.9 
ASSIGN (RESID 72  AND NAME HN   ) (RESID 71  AND NAME HB2  )    3.5   1.0   1.0 
ASSIGN (RESID 71  AND NAME HD22 ) (RESID 71  AND NAME HB2  )    3.5   1.0   1.0 
ASSIGN (RESID 71  AND NAME HB1  ) (RESID 71  AND NAME HB2  )    2.1   0.6   0.6 
ASSIGN (RESID 28  AND NAME HB*  ) (RESID 30  AND NAME HB1  )    5.0   1.5   1.5 
ASSIGN (RESID 30  AND NAME HN   ) (RESID 30  AND NAME HB1  )    3.2   0.9   0.9 
ASSIGN (RESID 52  AND NAME HD21 ) (RESID 26  AND NAME HB1  )    4.0   1.2   1.2 
ASSIGN (RESID 52  AND NAME HB2  ) (RESID 26  AND NAME HB1  )    3.2   1.0   1.0 
ASSIGN (RESID 52  AND NAME HD22 ) (RESID 26  AND NAME HB1  )    4.5   1.4   1.4 
ASSIGN (RESID 47  AND NAME HN   ) (RESID 44  AND NAME HB2  )    5.0   1.5   1.5 
ASSIGN (RESID 43  AND NAME HN   ) (RESID 44  AND NAME HB2  )    4.7   1.4   1.4 
ASSIGN (RESID 44  AND NAME HE*  ) (RESID 44  AND NAME HB2  )    4.4   1.3   1.3 
ASSIGN (RESID 49  AND NAME HD2* ) (RESID 44  AND NAME HB2  )    3.7   1.1   1.1 
ASSIGN (RESID 33  AND NAME HN   ) (RESID 32  AND NAME HB1  )    4.1   1.2   1.2 
ASSIGN (RESID 32  AND NAME HG2  ) (RESID 32  AND NAME HB1  )    2.3   0.7   0.7 
ASSIGN (RESID 32  AND NAME HB2  ) (RESID 32  AND NAME HB1  )    2.1   0.6   0.6 
ASSIGN (RESID 67  AND NAME HG1  ) (RESID 69  AND NAME HB2  )    3.7   1.1   1.1 
ASSIGN (RESID 72  AND NAME HB1  ) (RESID 69  AND NAME HB2  )    4.1   1.2   1.2 
ASSIGN (RESID 72  AND NAME HB2  ) (RESID 69  AND NAME HB2  )    4.5   1.3   1.3 
ASSIGN (RESID 69  AND NAME HN   ) (RESID 69  AND NAME HB2  )    2.8   0.8   0.8 
ASSIGN (RESID 24  AND NAME HD*  ) (RESID 69  AND NAME HB2  )    3.5   1.1   1.1 
ASSIGN (RESID 64  AND NAME HE1  ) (RESID 60  AND NAME HG*  )    5.0   1.5   1.5 
ASSIGN (RESID 22  AND NAME HN   ) (RESID 21  AND NAME HG2  )    3.5   1.0   1.0 
ASSIGN (RESID 21  AND NAME HG1  ) (RESID 21  AND NAME HG2  )    2.4   0.7   0.7 
ASSIGN (RESID 21  AND NAME HB1  ) (RESID 21  AND NAME HG2  )    2.8   0.9   0.9 
ASSIGN (RESID 49  AND NAME HB2  ) (RESID 41  AND NAME HB1  )    3.4   1.0   1.0 
ASSIGN (RESID 76  AND NAME HD2* ) (RESID 60  AND NAME HG*  )    3.4   1.0   1.0 
ASSIGN (RESID 76  AND NAME HN   ) (RESID 21  AND NAME HG2  )    4.3   1.3   1.3 
ASSIGN (RESID 76  AND NAME HD1* ) (RESID 60  AND NAME HG*  )    5.0   1.5   1.5 
ASSIGN (RESID 66  AND NAME HE*  ) (RESID 74  AND NAME HB1  )    4.2   1.3   1.3 
ASSIGN (RESID 74  AND NAME HE3  ) (RESID 74  AND NAME HB1  )    3.4   1.0   1.0 
ASSIGN (RESID 74  AND NAME HD1  ) (RESID 74  AND NAME HB1  )    3.3   1.0   1.0 
ASSIGN (RESID 27  AND NAME HN   ) (RESID 27  AND NAME HG2  )    4.2   1.2   1.2 
ASSIGN (RESID 28  AND NAME HN   ) (RESID 27  AND NAME HG2  )    3.0   0.9   0.9 
ASSIGN (RESID 39  AND NAME HE*  ) (RESID 58  AND NAME HB1  )    3.7   1.1   1.1 
ASSIGN (RESID 26  AND NAME HB2  ) (RESID 52  AND NAME HB2  )    3.0   0.9   0.9 
ASSIGN (RESID 28  AND NAME HA   ) (RESID 52  AND NAME HB2  )    4.1   1.2   1.2 
ASSIGN (RESID 25  AND NAME HB2  ) (RESID 25  AND NAME HG*  )    2.9   0.9   0.9 
ASSIGN (RESID 25  AND NAME HB1  ) (RESID 25  AND NAME HG*  )    2.8   0.8   0.8 
ASSIGN (RESID 55  AND NAME HB2  ) (RESID 57  AND NAME HD1  )    3.1   0.9   0.9 
ASSIGN (RESID 68  AND NAME HG2* ) (RESID 25  AND NAME HG*  )    4.2   1.2   1.2 
ASSIGN (RESID 57  AND NAME HG1  ) (RESID 57  AND NAME HD1  )    3.1   0.9   0.9 
ASSIGN (RESID 57  AND NAME HG2  ) (RESID 57  AND NAME HD1  )    3.1   0.9   0.9 
ASSIGN (RESID 49  AND NAME HD1* ) (RESID 57  AND NAME HD1  )    4.3   1.3   1.3 
ASSIGN (RESID 54  AND NAME HN   ) (RESID 54  AND NAME HB1  )    3.5   1.0   1.0 
ASSIGN (RESID 29  AND NAME HZ2  ) (RESID 54  AND NAME HB1  )    5.0   1.5   1.5 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 54  AND NAME HB1  )    3.7   1.1   1.1 
ASSIGN (RESID 77  AND NAME HB2  ) (RESID 54  AND NAME HB1  )    3.6   1.1   1.1 
ASSIGN (RESID 57  AND NAME HB2  ) (RESID 57  AND NAME HD1  )    4.2   1.3   1.3 
ASSIGN (RESID 67  AND NAME HN   ) (RESID 66  AND NAME HB2  )    3.7   1.1   1.1 
ASSIGN (RESID 11  AND NAME HA   ) (RESID 11  AND NAME HG*  )    4.2   1.3   1.3 
ASSIGN (RESID 59  AND NAME HG*  ) (RESID 11  AND NAME HG*  )    5.0   1.5   1.5 
ASSIGN (RESID 27  AND NAME HB1  ) (RESID 66  AND NAME HB2  )    3.1   0.9   0.9 
ASSIGN (RESID 56  AND NAME HD21 ) (RESID 11  AND NAME HG*  )    5.0   1.5   1.5 
ASSIGN (RESID 75  AND NAME HG2  ) (RESID 21  AND NAME HG1  )    4.6   1.4   1.4 
ASSIGN (RESID 21  AND NAME HB1  ) (RESID 21  AND NAME HG1  )    3.7   1.1   1.1 
ASSIGN (RESID 22  AND NAME HN   ) (RESID 21  AND NAME HG1  )    3.3   1.0   1.0 
ASSIGN (RESID 80  AND NAME HB2  ) (RESID 80  AND NAME HB1  )    2.2   0.7   0.7 
ASSIGN (RESID 34  AND NAME HB2  ) (RESID 70  AND NAME HB1  )    3.7   1.1   1.1 
ASSIGN (RESID 79  AND NAME HG2* ) (RESID 6   AND NAME HG2  )    3.7   1.1   1.1 
ASSIGN (RESID 30  AND NAME HN   ) (RESID 41  AND NAME HG2  )    3.9   1.2   1.2 
ASSIGN (RESID 46  AND NAME HN   ) (RESID 45  AND NAME HB*  )    5.0   1.5   1.5 
ASSIGN (RESID 42  AND NAME HN   ) (RESID 41  AND NAME HG2  )    4.4   1.3   1.3 
ASSIGN (RESID 78  AND NAME HN   ) (RESID 78  AND NAME HB2  )    3.0   0.9   0.9 
ASSIGN (RESID 79  AND NAME HN   ) (RESID 78  AND NAME HB2  )    3.7   1.1   1.1 
ASSIGN (RESID 40  AND NAME HG2* ) (RESID 41  AND NAME HG2  )    5.0   1.5   1.5 
ASSIGN (RESID 27  AND NAME HA   ) (RESID 32  AND NAME HG2  )    4.0   1.2   1.2 
ASSIGN (RESID 28  AND NAME HN   ) (RESID 32  AND NAME HG2  )    3.2   1.0   1.0 
ASSIGN (RESID 32  AND NAME HB2  ) (RESID 32  AND NAME HG2  )    3.0   0.9   0.9 
ASSIGN (RESID 58  AND NAME HN   ) (RESID 60  AND NAME HB*  )    5.0   1.5   1.5 
ASSIGN (RESID 59  AND NAME HN   ) (RESID 60  AND NAME HB*  )    5.0   1.5   1.5 
ASSIGN (RESID 4   AND NAME HN   ) (RESID 4   AND NAME HB2  )    2.9   0.9   0.9 
ASSIGN (RESID 64  AND NAME HZ2  ) (RESID 60  AND NAME HB*  )    5.0   1.5   1.5 
ASSIGN (RESID 76  AND NAME HD2* ) (RESID 60  AND NAME HB*  )    3.7   1.1   1.1 
ASSIGN (RESID 17  AND NAME HD1* ) (RESID 4   AND NAME HB2  )    4.3   1.3   1.3 
ASSIGN (RESID 42  AND NAME HN   ) (RESID 41  AND NAME HG1  )    5.0   1.5   1.5 
ASSIGN (RESID 29  AND NAME HB2  ) (RESID 41  AND NAME HG1  )    3.8   1.1   1.1 
ASSIGN (RESID 49  AND NAME HB1  ) (RESID 41  AND NAME HG1  )    3.2   1.0   1.0 
ASSIGN (RESID 34  AND NAME HG2  ) (RESID 34  AND NAME HB1  )    3.1   0.9   0.9 
ASSIGN (RESID 34  AND NAME HB2  ) (RESID 34  AND NAME HB1  )    2.2   0.7   0.7 
ASSIGN (RESID 38  AND NAME HN   ) (RESID 37  AND NAME HB1  )    3.4   1.0   1.0 
ASSIGN (RESID 66  AND NAME HZ   ) (RESID 37  AND NAME HB1  )    3.7   1.1   1.1 
ASSIGN (RESID 76  AND NAME HN   ) (RESID 75  AND NAME HG1  )    3.1   0.9   0.9 
ASSIGN (RESID 66  AND NAME HD*  ) (RESID 37  AND NAME HB1  )    5.0   1.5   1.5 
ASSIGN (RESID 75  AND NAME HA   ) (RESID 75  AND NAME HG1  )    3.1   0.9   0.9 
ASSIGN (RESID 3   AND NAME HN   ) (RESID 3   AND NAME HB2  )    4.3   1.3   1.3 
ASSIGN (RESID 32  AND NAME HB2  ) (RESID 32  AND NAME HG1  )    3.3   1.0   1.0 
ASSIGN (RESID 32  AND NAME HE22 ) (RESID 32  AND NAME HG1  )    3.6   1.1   1.1 
ASSIGN (RESID 21  AND NAME HN   ) (RESID 21  AND NAME HB2  )    3.7   1.1   1.1 
ASSIGN (RESID 21  AND NAME HB1  ) (RESID 21  AND NAME HB2  )    2.1   0.6   0.6 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 6   AND NAME HE*  )    5.0   1.5   1.5 
ASSIGN (RESID 81  AND NAME HN   ) (RESID 80  AND NAME HG2  )    5.0   1.5   1.5 
ASSIGN (RESID 40  AND NAME HG2* ) (RESID 41  AND NAME HB2  )    5.0   1.5   1.5 
ASSIGN (RESID 59  AND NAME HA   ) (RESID 11  AND NAME HB*  )    5.0   1.5   1.5 
ASSIGN (RESID 11  AND NAME HG*  ) (RESID 11  AND NAME HB*  )    3.4   1.0   1.0 
ASSIGN (RESID 11  AND NAME HA   ) (RESID 11  AND NAME HB*  )    3.4   1.0   1.0 
ASSIGN (RESID 19  AND NAME HG*  ) (RESID 25  AND NAME HB2  )    3.3   1.0   1.0 
ASSIGN (RESID 3   AND NAME HG*  ) (RESID 3   AND NAME HB1  )    3.1   0.9   0.9 
ASSIGN (RESID 63  AND NAME HD1  ) (RESID 63  AND NAME HG2  )    3.0   0.9   0.9 
ASSIGN (RESID 68  AND NAME HG2* ) (RESID 25  AND NAME HB1  )    3.7   1.1   1.1 
ASSIGN (RESID 24  AND NAME HN   ) (RESID 24  AND NAME HB2  )    2.7   0.8   0.8 
ASSIGN (RESID 24  AND NAME HD*  ) (RESID 24  AND NAME HB2  )    3.5   1.0   1.0 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 17  AND NAME HB   )    3.3   1.0   1.0 
ASSIGN (RESID 83  AND NAME HN   ) (RESID 82  AND NAME HB2  )    3.4   1.0   1.0 
ASSIGN (RESID 24  AND NAME HG   ) (RESID 24  AND NAME HB2  )    3.3   1.0   1.0 
ASSIGN (RESID 82  AND NAME HN   ) (RESID 82  AND NAME HB2  )    3.0   0.9   0.9 
ASSIGN (RESID 73  AND NAME HD1  ) (RESID 73  AND NAME HB2  )    3.9   1.2   1.2 
ASSIGN (RESID 74  AND NAME HH2  ) (RESID 76  AND NAME HG   )    3.5   1.1   1.1 
ASSIGN (RESID 75  AND NAME HA   ) (RESID 76  AND NAME HG   )    4.2   1.3   1.3 
ASSIGN (RESID 76  AND NAME HD1* ) (RESID 76  AND NAME HG   )    3.2   1.0   1.0 
ASSIGN (RESID 72  AND NAME HN   ) (RESID 70  AND NAME HB2  )    5.0   1.5   1.5 
ASSIGN (RESID 55  AND NAME HD2  ) (RESID 55  AND NAME HG*  )    3.6   1.1   1.1 
ASSIGN (RESID 76  AND NAME HD2* ) (RESID 76  AND NAME HG   )    3.2   1.0   1.0 
ASSIGN (RESID 52  AND NAME HD22 ) (RESID 52  AND NAME HB1  )    3.4   1.0   1.0 
ASSIGN (RESID 59  AND NAME HD*  ) (RESID 59  AND NAME HB1  )    3.2   1.0   1.0 
ASSIGN (RESID 59  AND NAME HB2  ) (RESID 56  AND NAME HB1  )    2.1   0.6   0.6 
ASSIGN (RESID 61  AND NAME HD2* ) (RESID 61  AND NAME HG   )    3.3   1.0   1.0 
ASSIGN (RESID 20  AND NAME HG2* ) (RESID 75  AND NAME HB2  )    3.3   1.0   1.0 
ASSIGN (RESID 47  AND NAME HN   ) (RESID 47  AND NAME HB1  )    2.9   0.9   0.9 
ASSIGN (RESID 20  AND NAME HG1  ) (RESID 75  AND NAME HB2  )    3.7   1.1   1.1 
ASSIGN (RESID 76  AND NAME HN   ) (RESID 76  AND NAME HB2  )    2.7   0.8   0.8 
ASSIGN (RESID 76  AND NAME HD2* ) (RESID 76  AND NAME HB2  )    3.2   0.9   0.9 
ASSIGN (RESID 55  AND NAME HG*  ) (RESID 50  AND NAME HB2  )    5.0   1.5   1.5 
ASSIGN (RESID 14  AND NAME HB2  ) (RESID 50  AND NAME HB2  )    3.9   1.2   1.2 
ASSIGN (RESID 56  AND NAME HB1  ) (RESID 63  AND NAME HB1  )    5.0   1.5   1.5 
ASSIGN (RESID 27  AND NAME HN   ) (RESID 27  AND NAME HB2  )    2.8   0.8   0.8 
ASSIGN (RESID 81  AND NAME HN   ) (RESID 81  AND NAME HB1  )    2.6   0.8   0.8 
ASSIGN (RESID 64  AND NAME HZ2  ) (RESID 57  AND NAME HB1  )    5.0   1.5   1.5 
ASSIGN (RESID 34  AND NAME HD1  ) (RESID 27  AND NAME HB2  )    3.2   1.0   1.0 
ASSIGN (RESID 52  AND NAME HB2  ) (RESID 27  AND NAME HB2  )    4.7   1.4   1.4 
ASSIGN (RESID 64  AND NAME HN   ) (RESID 63  AND NAME HB1  )    3.3   1.0   1.0 
ASSIGN (RESID 72  AND NAME HB2  ) (RESID 72  AND NAME HB1  )    1.9   0.6   0.6 
ASSIGN (RESID 74  AND NAME HD1  ) (RESID 73  AND NAME HB1  )    3.1   0.9   0.9 
ASSIGN (RESID 73  AND NAME HD2  ) (RESID 73  AND NAME HB1  )    3.1   0.9   0.9 
ASSIGN (RESID 73  AND NAME HD1  ) (RESID 73  AND NAME HB1  )    3.1   0.9   0.9 
ASSIGN (RESID 79  AND NAME HN   ) (RESID 79  AND NAME HB   )    2.5   0.7   0.7 
ASSIGN (RESID 79  AND NAME HG12 ) (RESID 79  AND NAME HB   )    2.8   0.8   0.8 
ASSIGN (RESID 24  AND NAME HD*  ) (RESID 72  AND NAME HB1  )    4.3   1.3   1.3 
ASSIGN (RESID 79  AND NAME HG11 ) (RESID 79  AND NAME HB   )    3.0   0.9   0.9 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 79  AND NAME HB   )    3.6   1.1   1.1 
ASSIGN (RESID 79  AND NAME HG2* ) (RESID 79  AND NAME HB   )    3.1   0.9   0.9 
ASSIGN (RESID 78  AND NAME HN   ) (RESID 21  AND NAME HB1  )    4.1   1.2   1.2 
ASSIGN (RESID 78  AND NAME HB2  ) (RESID 21  AND NAME HB1  )    4.1   1.2   1.2 
ASSIGN (RESID 47  AND NAME HE1  ) (RESID 47  AND NAME HD*  )    3.5   1.1   1.1 
ASSIGN (RESID 75  AND NAME HG2  ) (RESID 21  AND NAME HB1  )    4.2   1.3   1.3 
ASSIGN (RESID 20  AND NAME HG1  ) (RESID 75  AND NAME HB1  )    4.4   1.3   1.3 
ASSIGN (RESID 51  AND NAME HB1  ) (RESID 50  AND NAME HB1  )    5.0   1.5   1.5 
ASSIGN (RESID 75  AND NAME HN   ) (RESID 75  AND NAME HB1  )    4.0   1.2   1.2 
ASSIGN (RESID 75  AND NAME HA   ) (RESID 75  AND NAME HB1  )    3.0   0.9   0.9 
ASSIGN (RESID 50  AND NAME HN   ) (RESID 50  AND NAME HB1  )    2.8   0.8   0.8 
ASSIGN (RESID 53  AND NAME HD*  ) (RESID 50  AND NAME HB1  )    3.2   0.9   0.9 
ASSIGN (RESID 61  AND NAME HD1* ) (RESID 61  AND NAME HB2  )    3.5   1.1   1.1 
ASSIGN (RESID 62  AND NAME HN   ) (RESID 61  AND NAME HB2  )    3.6   1.1   1.1 
ASSIGN (RESID 16  AND NAME HG1  ) (RESID 16  AND NAME HB1  )    3.1   0.9   0.9 
ASSIGN (RESID 16  AND NAME HA   ) (RESID 16  AND NAME HB1  )    2.8   0.8   0.8 
ASSIGN (RESID 64  AND NAME HZ2  ) (RESID 57  AND NAME HB2  )    4.5   1.4   1.4 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 63  AND NAME HG1  )    4.5   1.4   1.4 
ASSIGN (RESID 7   AND NAME HN   ) (RESID 6   AND NAME HB2  )    4.0   1.2   1.2 
ASSIGN (RESID 10  AND NAME HN   ) (RESID 6   AND NAME HB2  )    4.5   1.4   1.4 
ASSIGN (RESID 44  AND NAME HE*  ) (RESID 43  AND NAME HB1  )    4.0   1.2   1.2 
ASSIGN (RESID 43  AND NAME HN   ) (RESID 43  AND NAME HB1  )    3.3   1.0   1.0 
ASSIGN (RESID 24  AND NAME HD*  ) (RESID 24  AND NAME HG   )    2.9   0.9   0.9 
ASSIGN (RESID 25  AND NAME HN   ) (RESID 24  AND NAME HG   )    5.0   1.5   1.5 
ASSIGN (RESID 47  AND NAME HN   ) (RESID 47  AND NAME HG2  )    3.5   1.1   1.1 
ASSIGN (RESID 19  AND NAME HN   ) (RESID 19  AND NAME HB1  )    2.7   0.8   0.8 
ASSIGN (RESID 16  AND NAME HG1  ) (RESID 16  AND NAME HD*  )    3.3   1.0   1.0 
ASSIGN (RESID 72  AND NAME HN   ) (RESID 72  AND NAME HD*  )    4.9   1.5   1.5 
ASSIGN (RESID 59  AND NAME HB1  ) (RESID 59  AND NAME HG*  )    2.5   0.8   0.8 
ASSIGN (RESID 66  AND NAME HD*  ) (RESID 73  AND NAME HG*  )    4.6   1.4   1.4 
ASSIGN (RESID 72  AND NAME HG2  ) (RESID 72  AND NAME HD*  )    3.1   0.9   0.9 
ASSIGN (RESID 74  AND NAME HN   ) (RESID 73  AND NAME HG*  )    4.1   1.2   1.2 
ASSIGN (RESID 66  AND NAME HE*  ) (RESID 73  AND NAME HG*  )    4.1   1.2   1.2 
ASSIGN (RESID 57  AND NAME HD2  ) (RESID 57  AND NAME HG2  )    3.5   1.1   1.1 
ASSIGN (RESID 76  AND NAME HD1* ) (RESID 76  AND NAME HB1  )    2.8   0.8   0.8 
ASSIGN (RESID 48  AND NAME HB2  ) (RESID 55  AND NAME HB1  )    2.9   0.9   0.9 
ASSIGN (RESID 58  AND NAME HN   ) (RESID 57  AND NAME HG2  )    3.3   1.0   1.0 
ASSIGN (RESID 39  AND NAME HE*  ) (RESID 57  AND NAME HG2  )    4.3   1.3   1.3 
ASSIGN (RESID 49  AND NAME HD1* ) (RESID 55  AND NAME HB1  )    4.1   1.2   1.2 
ASSIGN (RESID 64  AND NAME HE1  ) (RESID 57  AND NAME HG2  )    4.5   1.4   1.4 
ASSIGN (RESID 49  AND NAME HD2* ) (RESID 57  AND NAME HG2  )    5.0   1.5   1.5 
ASSIGN (RESID 42  AND NAME HN   ) (RESID 40  AND NAME HG12 )    5.0   1.5   1.5 
ASSIGN (RESID 81  AND NAME HN   ) (RESID 81  AND NAME HG*  )    4.8   1.4   1.4 
ASSIGN (RESID 40  AND NAME HG2* ) (RESID 40  AND NAME HG12 )    3.2   0.9   0.9 
ASSIGN (RESID 40  AND NAME HD1* ) (RESID 40  AND NAME HG12 )    3.1   0.9   0.9 
ASSIGN (RESID 69  AND NAME HN   ) (RESID 72  AND NAME HB2  )    4.2   1.3   1.3 
ASSIGN (RESID 26  AND NAME HN   ) (RESID 19  AND NAME HG*  )    5.0   1.5   1.5 
ASSIGN (RESID 25  AND NAME HB1  ) (RESID 19  AND NAME HG*  )    5.0   1.5   1.5 
ASSIGN (RESID 24  AND NAME HD*  ) (RESID 72  AND NAME HB2  )    4.2   1.3   1.3 
ASSIGN (RESID 64  AND NAME HN   ) (RESID 63  AND NAME HB2  )    4.0   1.2   1.2 
ASSIGN (RESID 53  AND NAME HD*  ) (RESID 50  AND NAME HG2  )    5.0   1.5   1.5 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 63  AND NAME HB2  )    4.2   1.3   1.3 
ASSIGN (RESID 34  AND NAME HD2  ) (RESID 34  AND NAME HG1  )    3.8   1.1   1.1 
ASSIGN (RESID 16  AND NAME HG1  ) (RESID 16  AND NAME HB2  )    2.9   0.9   0.9 
ASSIGN (RESID 30  AND NAME HN   ) (RESID 28  AND NAME HB*  )    3.1   0.9   0.9 
ASSIGN (RESID 50  AND NAME HN   ) (RESID 50  AND NAME HG1  )    3.4   1.0   1.0 
ASSIGN (RESID 53  AND NAME HE*  ) (RESID 16  AND NAME HB2  )    4.5   1.4   1.4 
ASSIGN (RESID 24  AND NAME HB2  ) (RESID 24  AND NAME HB1  )    2.3   0.7   0.7 
ASSIGN (RESID 24  AND NAME HD*  ) (RESID 24  AND NAME HB1  )    3.3   1.0   1.0 
ASSIGN (RESID 69  AND NAME HN   ) (RESID 24  AND NAME HB1  )    5.0   1.5   1.5 
ASSIGN (RESID 66  AND NAME HN   ) (RESID 27  AND NAME HB1  )    4.3   1.3   1.3 
ASSIGN (RESID 67  AND NAME HN   ) (RESID 27  AND NAME HB1  )    4.5   1.4   1.4 
ASSIGN (RESID 21  AND NAME HN   ) (RESID 20  AND NAME HG2* )    4.1   1.2   1.2 
ASSIGN (RESID 19  AND NAME HA   ) (RESID 20  AND NAME HG2* )    4.3   1.3   1.3 
ASSIGN (RESID 75  AND NAME HG2  ) (RESID 20  AND NAME HG2* )    5.0   1.5   1.5 
ASSIGN (RESID 81  AND NAME HB2  ) (RESID 83  AND NAME HG2* )    3.8   1.1   1.1 
ASSIGN (RESID 70  AND NAME HA   ) (RESID 34  AND NAME HB2  )    3.8   1.1   1.1 
ASSIGN (RESID 83  AND NAME HN   ) (RESID 83  AND NAME HG2* )    3.3   1.0   1.0 
ASSIGN (RESID 76  AND NAME HD1* ) (RESID 76  AND NAME HD2* )    3.8   1.1   1.1 
ASSIGN (RESID 76  AND NAME HB1  ) (RESID 76  AND NAME HD2* )    3.0   0.9   0.9 
ASSIGN (RESID 40  AND NAME HD1* ) (RESID 40  AND NAME HG11 )    2.9   0.9   0.9 
ASSIGN (RESID 51  AND NAME HB2  ) (RESID 51  AND NAME HB1  )    2.0   0.6   0.6 
ASSIGN (RESID 53  AND NAME HE*  ) (RESID 51  AND NAME HB1  )    4.4   1.3   1.3 
ASSIGN (RESID 43  AND NAME HN   ) (RESID 43  AND NAME HG1  )    3.8   1.1   1.1 
ASSIGN (RESID 43  AND NAME HA   ) (RESID 43  AND NAME HG1  )    3.9   1.2   1.2 
ASSIGN (RESID 73  AND NAME HN   ) (RESID 72  AND NAME HG2  )    5.0   1.5   1.5 
ASSIGN (RESID 24  AND NAME HD*  ) (RESID 72  AND NAME HG2  )    5.0   1.5   1.5 
ASSIGN (RESID 79  AND NAME HG2* ) (RESID 79  AND NAME HG12 )    3.7   1.1   1.1 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 79  AND NAME HG12 )    3.3   1.0   1.0 
ASSIGN (RESID 63  AND NAME HD1  ) (RESID 79  AND NAME HG12 )    4.0   1.2   1.2 
ASSIGN (RESID 77  AND NAME HB2  ) (RESID 79  AND NAME HG12 )    3.7   1.1   1.1 
ASSIGN (RESID 16  AND NAME HG1  ) (RESID 16  AND NAME HG2  )    1.9   0.6   0.6 
ASSIGN (RESID 16  AND NAME HN   ) (RESID 16  AND NAME HG2  )    3.3   1.0   1.0 
ASSIGN (RESID 16  AND NAME HA   ) (RESID 16  AND NAME HG2  )    4.3   1.3   1.3 
ASSIGN (RESID 40  AND NAME HD1* ) (RESID 40  AND NAME HG2* )    5.0   1.5   1.5 
ASSIGN (RESID 44  AND NAME HN   ) (RESID 40  AND NAME HG2* )    5.0   1.5   1.5 
ASSIGN (RESID 49  AND NAME HD1* ) (RESID 49  AND NAME HG   )    3.0   0.9   0.9 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 17  AND NAME HD1* )    3.7   1.1   1.1 
ASSIGN (RESID 27  AND NAME HN   ) (RESID 67  AND NAME HG2* )    5.0   1.5   1.5 
ASSIGN (RESID 65  AND NAME HN   ) (RESID 67  AND NAME HG2* )    5.0   1.5   1.5 
ASSIGN (RESID 74  AND NAME HD1  ) (RESID 72  AND NAME HG1  )    4.8   1.5   1.5 
ASSIGN (RESID 64  AND NAME HE1  ) (RESID 57  AND NAME HG1  )    5.0   1.5   1.5 
ASSIGN (RESID 74  AND NAME HH2  ) (RESID 76  AND NAME HD1* )    5.0   1.5   1.5 
ASSIGN (RESID 53  AND NAME HD*  ) (RESID 51  AND NAME HB2  )    4.2   1.3   1.3 
ASSIGN (RESID 51  AND NAME HD*  ) (RESID 51  AND NAME HB2  )    3.7   1.1   1.1 
ASSIGN (RESID 77  AND NAME HB1  ) (RESID 79  AND NAME HG11 )    4.1   1.2   1.2 
ASSIGN (RESID 79  AND NAME HG2* ) (RESID 79  AND NAME HG11 )    3.9   1.2   1.2 
ASSIGN (RESID 79  AND NAME HD1* ) (RESID 79  AND NAME HG11 )    3.1   0.9   0.9 
ASSIGN (RESID 63  AND NAME HB2  ) (RESID 79  AND NAME HG11 )    3.6   1.1   1.1 
ASSIGN (RESID 29  AND NAME HD1  ) (RESID 49  AND NAME HB1  )    3.6   1.1   1.1 
ASSIGN (RESID 79  AND NAME HN   ) (RESID 79  AND NAME HG2* )    3.8   1.2   1.2 
ASSIGN (RESID 49  AND NAME HN   ) (RESID 49  AND NAME HD2* )    3.7   1.1   1.1 
ASSIGN (RESID 49  AND NAME HG   ) (RESID 49  AND NAME HD2* )    2.7   0.8   0.8 
ASSIGN (RESID 49  AND NAME HD1* ) (RESID 49  AND NAME HD2* )    3.1   0.9   0.9 
ASSIGN (RESID 80  AND NAME HG1  ) (RESID 79  AND NAME HG2* )    5.0   1.5   1.5 
ASSIGN (RESID 54  AND NAME HN   ) (RESID 79  AND NAME HD1* )    5.0   1.5   1.5 
ASSIGN (RESID 79  AND NAME HG2* ) (RESID 79  AND NAME HD1* )    5.0   1.5   1.5 
ASSIGN (RESID 57  AND NAME HB1  ) (RESID 49  AND NAME HD1* )    5.0   1.5   1.5 
ASSIGN (RESID 55  AND NAME HB2  ) (RESID 49  AND NAME HD1* )    3.5   1.1   1.1 
ASSIGN (RESID 58  AND NAME HN   ) (RESID 57  AND NAME HG1  )    3.7   1.1   1.1 
ASSIGN (RESID 67  AND NAME HA   ) (RESID 67  AND NAME HG2* )    3.7   1.1   1.1 
ASSIGN (RESID 24  AND NAME HN   ) (RESID 20  AND NAME HG2* )    3.3   1.0   1.0 
ASSIGN (RESID 19  AND NAME HN   ) (RESID 19  AND NAME HB2  )    2.9   0.9   0.9 
ASSIGN (RESID 13  AND NAME HD*  ) (RESID 63  AND NAME HG1  )    3.4   1.0   1.0 
ASSIGN (RESID 44  AND NAME HN   ) (RESID 43  AND NAME HB1  )    3.4   1.0   1.0 
ASSIGN (RESID 29  AND NAME HZ2  ) (RESID 55  AND NAME HB1  )    3.6   1.1   1.1 
ASSIGN (RESID 76  AND NAME HN   ) (RESID 75  AND NAME HB1  )    4.2   1.3   1.3 
ASSIGN (RESID 51  AND NAME HN   ) (RESID 51  AND NAME HG1  )    3.1   0.9   0.9 
ASSIGN (RESID 46  AND NAME HN   ) (RESID 45  AND NAME HG2  )    3.5   1.0   1.0 
ASSIGN (RESID 4   AND NAME HN   ) (RESID 3   AND NAME HB1  )    3.7   1.1   1.1 
ASSIGN (RESID 26  AND NAME HN   ) (RESID 25  AND NAME HB1  )    3.9   1.2   1.2 
ASSIGN (RESID 59  AND NAME HN   ) (RESID 59  AND NAME HB2  )    3.2   1.0   1.0 
ASSIGN (RESID 19  AND NAME HN   ) (RESID 17  AND NAME HB   )    3.2   1.0   1.0 
ASSIGN (RESID 62  AND NAME HN   ) (RESID 62  AND NAME HB1  )    3.4   1.0   1.0 
ASSIGN (RESID 62  AND NAME HN   ) (RESID 61  AND NAME HB1  )    3.0   0.9   0.9 
ASSIGN (RESID 44  AND NAME HN   ) (RESID 44  AND NAME HB2  )    2.7   0.8   0.8 
ASSIGN (RESID 3   AND NAME HN   ) (RESID 3   AND NAME HG*  )    3.4   1.0   1.0 
ASSIGN (RESID 75  AND NAME HN   ) (RESID 74  AND NAME HB2  )    3.1   0.9   0.9 
ASSIGN (RESID 30  AND NAME HN   ) (RESID 29  AND NAME HB2  )    3.2   0.9   0.9 
ASSIGN (RESID 14  AND NAME HN   ) (RESID 13  AND NAME HB2  )    3.5   1.1   1.1 
ASSIGN (RESID 5   AND NAME HN   ) (RESID 5   AND NAME HB2  )    3.6   1.1   1.1 
ASSIGN (RESID 29  AND NAME HE3  ) (RESID 29  AND NAME HB2  )    3.7   1.1   1.1 
ASSIGN (RESID 66  AND NAME HZ   ) (RESID 37  AND NAME HB2  )    2.7   0.8   0.8 
ASSIGN (RESID 52  AND NAME HD22 ) (RESID 26  AND NAME HB2  )    3.9   1.2   1.2 
ASSIGN (RESID 54  AND NAME HN   ) (RESID 53  AND NAME HB1  )    3.0   0.9   0.9 
ASSIGN (RESID 20  AND NAME HN   ) (RESID 23  AND NAME HA1  )    4.2   1.3   1.3 
ASSIGN (RESID 9   AND NAME HN   ) (RESID 9   AND NAME HB*  )    3.3   1.0   1.0 
ASSIGN (RESID 69  AND NAME HN   ) (RESID 68  AND NAME HA   )    3.6   1.1   1.1 
ASSIGN (RESID 20  AND NAME HG1  ) (RESID 20  AND NAME HB   )    2.7   0.8   0.8 
ASSIGN (RESID 32  AND NAME HE22 ) (RESID 36  AND NAME HA   )    3.5   1.1   1.1 
ASSIGN (RESID 29  AND NAME HD1  ) (RESID 50  AND NAME HA   )    3.7   1.1   1.1 
ASSIGN (RESID 44  AND NAME HN   ) (RESID 43  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 33  AND NAME HN   ) (RESID 33  AND NAME HA   )    2.9   0.9   0.9 
ASSIGN (RESID 33  AND NAME HN   ) (RESID 32  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 52  AND NAME HD21 ) (RESID 18  AND NAME HB1  )    3.0   0.9   0.9 
ASSIGN (RESID 37  AND NAME HE1  ) (RESID 29  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 3   AND NAME HN   ) (RESID 3   AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 14  AND NAME HN   ) (RESID 13  AND NAME HA   )    2.5   0.7   0.7 
ASSIGN (RESID 35  AND NAME HN   ) (RESID 34  AND NAME HA   )    2.8   0.8   0.8 
ASSIGN (RESID 25  AND NAME HN   ) (RESID 25  AND NAME HA   )    2.6   0.8   0.8 
ASSIGN (RESID 21  AND NAME HN   ) (RESID 20  AND NAME HB   )    2.4   0.7   0.7 
ASSIGN (RESID 78  AND NAME HN   ) (RESID 20  AND NAME HA   )    2.7   0.8   0.8 
ASSIGN (RESID 78  AND NAME HN   ) (RESID 78  AND NAME HA   )    2.8   0.8   0.8 
ASSIGN (RESID 77  AND NAME HN   ) (RESID 77  AND NAME HA   )    2.4   0.7   0.7 
ASSIGN (RESID 62  AND NAME HN   ) (RESID 62  AND NAME HA   )    2.6   0.8   0.8 
ASSIGN (RESID 40  AND NAME HN   ) (RESID 38  AND NAME HA2  )    3.5   1.0   1.0 
ASSIGN (RESID 66  AND NAME HE*  ) (RESID 37  AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 79  AND NAME HN   ) (RESID 78  AND NAME HA   )    2.5   0.8   0.8 
ASSIGN (RESID 13  AND NAME HD*  ) (RESID 55  AND NAME HA   )    4.2   1.3   1.3 
ASSIGN (RESID 54  AND NAME HN   ) (RESID 19  AND NAME HN   )    4.0   1.2   1.2 
ASSIGN (RESID 44  AND NAME HE*  ) (RESID 48  AND NAME HD22 )    2.5   0.7   0.7 
ASSIGN (RESID 39  AND NAME HD*  ) (RESID 44  AND NAME HE*  )    5.0   1.5   1.5 
ASSIGN (RESID 62  AND NAME HN   ) (RESID 56  AND NAME HD22 )    4.8   1.4   1.4 
ASSIGN (RESID 44  AND NAME HD*  ) (RESID 43  AND NAME HN   )    3.6   1.1   1.1 
ASSIGN (RESID 19  AND NAME HN   ) (RESID 20  AND NAME HN   )    4.1   1.2   1.2 
ASSIGN (RESID 6   AND NAME HG1  ) (RESID 11  AND NAME HN   )    3.3   1.0   1.0 
ASSIGN (RESID 55  AND NAME HB1  ) (RESID 56  AND NAME HN   )    2.6   0.8   0.8 
ASSIGN (RESID 3   AND NAME HB2  ) (RESID 4   AND NAME HN   )    3.8   1.1   1.1 
ASSIGN (RESID 4   AND NAME HB2  ) (RESID 5   AND NAME HN   )    4.0   1.2   1.2 
ASSIGN (RESID 47  AND NAME HB2  ) (RESID 47  AND NAME HN   )    3.0   0.9   0.9 
ASSIGN (RESID 52  AND NAME HB1  ) (RESID 53  AND NAME HN   )    3.6   1.1   1.1 
ASSIGN (RESID 57  AND NAME HG2  ) (RESID 29  AND NAME HE3  )    3.9   1.2   1.2 
ASSIGN (RESID 73  AND NAME HA   ) (RESID 74  AND NAME HN   )    2.9   0.9   0.9 
ASSIGN (RESID 25  AND NAME HG*  ) (RESID 52  AND NAME HD22 )    3.4   1.0   1.0 
ASSIGN (RESID 52  AND NAME HB2  ) (RESID 52  AND NAME HD22 )    2.9   0.9   0.9 
ASSIGN (RESID 13  AND NAME HB2  ) (RESID 13  AND NAME HE*  )    3.6   1.1   1.1 
ASSIGN (RESID 56  AND NAME HB1  ) (RESID 56  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 35  AND NAME HB2  ) (RESID 35  AND NAME HA   )    3.4   1.0   1.0 
ASSIGN (RESID 44  AND NAME HB1  ) (RESID 44  AND NAME HA   )    2.8   0.8   0.8 
ASSIGN (RESID 69  AND NAME HB1  ) (RESID 69  AND NAME HA   )    3.9   1.2   1.2 
ASSIGN (RESID 7   AND NAME HB1  ) (RESID 7   AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 53  AND NAME HB1  ) (RESID 53  AND NAME HA   )    2.9   0.9   0.9 
ASSIGN (RESID 46  AND NAME HB*  ) (RESID 44  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 35  AND NAME HB1  ) (RESID 35  AND NAME HA   )    2.6   0.8   0.8 
ASSIGN (RESID 65  AND NAME HB1  ) (RESID 52  AND NAME HA   )    3.3   1.0   1.0 
ASSIGN (RESID 30  AND NAME HB2  ) (RESID 30  AND NAME HA   )    2.7   0.8   0.8 
ASSIGN (RESID 78  AND NAME HB1  ) (RESID 78  AND NAME HA   )    3.1   0.9   0.9 
ASSIGN (RESID 71  AND NAME HB2  ) (RESID 71  AND NAME HA   )    2.9   0.9   0.9 
ASSIGN (RESID 52  AND NAME HB2  ) (RESID 52  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 58  AND NAME HB1  ) (RESID 58  AND NAME HA   )    2.7   0.8   0.8 
ASSIGN (RESID 41  AND NAME HG2  ) (RESID 40  AND NAME HA   )    3.6   1.1   1.1 
ASSIGN (RESID 41  AND NAME HG1  ) (RESID 30  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 78  AND NAME HB2  ) (RESID 78  AND NAME HA   )    2.7   0.8   0.8 
ASSIGN (RESID 69  AND NAME HB2  ) (RESID 69  AND NAME HA   )    2.7   0.8   0.8 
ASSIGN (RESID 44  AND NAME HB2  ) (RESID 44  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 82  AND NAME HB2  ) (RESID 82  AND NAME HA   )    3.4   1.0   1.0 
ASSIGN (RESID 79  AND NAME HB   ) (RESID 78  AND NAME HA   )    4.1   1.2   1.2 
ASSIGN (RESID 56  AND NAME HB1  ) (RESID 55  AND NAME HA   )    4.3   1.3   1.3 
ASSIGN (RESID 59  AND NAME HG*  ) (RESID 58  AND NAME HA   )    4.2   1.3   1.3 
ASSIGN (RESID 28  AND NAME HB*  ) (RESID 52  AND NAME HA   )    4.2   1.3   1.3 
ASSIGN (RESID 40  AND NAME HD1* ) (RESID 38  AND NAME HA2  )    4.4   1.3   1.3 
ASSIGN (RESID 76  AND NAME HD1* ) (RESID 76  AND NAME HA   )    4.9   1.5   1.5 
ASSIGN (RESID 57  AND NAME HG1  ) (RESID 57  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 17  AND NAME HD1* ) (RESID 79  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 40  AND NAME HG2* ) (RESID 30  AND NAME HA   )    5.0   1.5   1.5 
ASSIGN (RESID 76  AND NAME HD2* ) (RESID 76  AND NAME HA   )    2.8   0.8   0.8 
ASSIGN (RESID 34  AND NAME HG2  ) (RESID 34  AND NAME HA   )    2.9   0.9   0.9 
ASSIGN (RESID 72  AND NAME HD*  ) (RESID 72  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 76  AND NAME HB1  ) (RESID 76  AND NAME HA   )    2.6   0.8   0.8 
ASSIGN (RESID 3   AND NAME HB1  ) (RESID 3   AND NAME HA   )    3.1   0.9   0.9 
ASSIGN (RESID 3   AND NAME HG*  ) (RESID 3   AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 65  AND NAME HB1  ) (RESID 54  AND NAME HA   )    3.1   0.9   0.9 
ASSIGN (RESID 5   AND NAME HB2  ) (RESID 82  AND NAME HA   )    3.1   0.9   0.9 
ASSIGN (RESID 82  AND NAME HB1  ) (RESID 82  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 54  AND NAME HB2  ) (RESID 54  AND NAME HA   )    3.9   1.2   1.2 
ASSIGN (RESID 18  AND NAME HB2  ) (RESID 52  AND NAME HA   )    4.0   1.2   1.2 
ASSIGN (RESID 38  AND NAME HA1  ) (RESID 38  AND NAME HA2  )    2.3   0.7   0.7 
ASSIGN (RESID 33  AND NAME HB*  ) (RESID 33  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 8   AND NAME HA1  ) (RESID 8   AND NAME HA2  )    2.6   0.8   0.8 
ASSIGN (RESID 41  AND NAME HG2  ) (RESID 41  AND NAME HD*  )    2.7   0.8   0.8 
ASSIGN (RESID 41  AND NAME HG1  ) (RESID 41  AND NAME HD*  )    3.1   0.9   0.9 
ASSIGN (RESID 61  AND NAME HG   ) (RESID 61  AND NAME HA   )    3.5   1.1   1.1 
ASSIGN (RESID 49  AND NAME HB2  ) (RESID 41  AND NAME HA   )    2.6   0.8   0.8 
ASSIGN (RESID 17  AND NAME HG12 ) (RESID 17  AND NAME HA   )    2.8   0.8   0.8 
ASSIGN (RESID 34  AND NAME HB2  ) (RESID 34  AND NAME HD2  )    3.0   0.9   0.9 
ASSIGN (RESID 24  AND NAME HB1  ) (RESID 68  AND NAME HA   )    4.8   1.4   1.4 
ASSIGN (RESID 49  AND NAME HD2* ) (RESID 29  AND NAME HB1  )    3.6   1.1   1.1 
ASSIGN (RESID 17  AND NAME HB   ) (RESID 80  AND NAME HD1  )    4.0   1.2   1.2 
ASSIGN (RESID 29  AND NAME HB2  ) (RESID 29  AND NAME HB1  )    2.2   0.7   0.7 
ASSIGN (RESID 31  AND NAME HB1  ) (RESID 31  AND NAME HB2  )    2.4   0.7   0.7 
ASSIGN (RESID 56  AND NAME HB1  ) (RESID 56  AND NAME HB2  )    2.2   0.7   0.7 
ASSIGN (RESID 81  AND NAME HB1  ) (RESID 81  AND NAME HD*  )    3.1   0.9   0.9 
ASSIGN (RESID 34  AND NAME HG1  ) (RESID 34  AND NAME HD1  )    3.1   0.9   0.9 
ASSIGN (RESID 49  AND NAME HD2* ) (RESID 49  AND NAME HA   )    3.5   1.1   1.1 
ASSIGN (RESID 16  AND NAME HG2  ) (RESID 16  AND NAME HE*  )    5.0   1.5   1.5 
ASSIGN (RESID 55  AND NAME HB1  ) (RESID 55  AND NAME HD1  )    2.6   0.8   0.8 
ASSIGN (RESID 47  AND NAME HG2  ) (RESID 47  AND NAME HE1  )    2.8   0.8   0.8 
ASSIGN (RESID 73  AND NAME HG*  ) (RESID 37  AND NAME HB2  )    3.7   1.1   1.1 
ASSIGN (RESID 19  AND NAME HB2  ) (RESID 19  AND NAME HE*  )    3.9   1.2   1.2 
ASSIGN (RESID 63  AND NAME HG1  ) (RESID 77  AND NAME HB1  )    4.2   1.3   1.3 
ASSIGN (RESID 50  AND NAME HB2  ) (RESID 50  AND NAME HE*  )    3.1   0.9   0.9 
ASSIGN (RESID 75  AND NAME HG1  ) (RESID 75  AND NAME HG2  )    2.1   0.6   0.6 
ASSIGN (RESID 58  AND NAME HB1  ) (RESID 58  AND NAME HB2  )    2.2   0.6   0.6 
ASSIGN (RESID 78  AND NAME HB2  ) (RESID 78  AND NAME HB1  )    2.2   0.7   0.7 
ASSIGN (RESID 69  AND NAME HB2  ) (RESID 69  AND NAME HB1  )    2.0   0.6   0.6 
ASSIGN (RESID 44  AND NAME HB2  ) (RESID 44  AND NAME HB1  )    2.0   0.6   0.6 
ASSIGN (RESID 30  AND NAME HB1  ) (RESID 30  AND NAME HB2  )    2.0   0.6   0.6 
ASSIGN (RESID 35  AND NAME HB2  ) (RESID 35  AND NAME HB1  )    2.1   0.6   0.6 
ASSIGN (RESID 32  AND NAME HG1  ) (RESID 32  AND NAME HB1  )    2.3   0.7   0.7 
ASSIGN (RESID 52  AND NAME HB1  ) (RESID 52  AND NAME HB2  )    2.2   0.7   0.7 
ASSIGN (RESID 52  AND NAME HB1  ) (RESID 26  AND NAME HB1  )    3.6   1.1   1.1 
ASSIGN (RESID 80  AND NAME HG1  ) (RESID 80  AND NAME HB1  )    2.4   0.7   0.7 
ASSIGN (RESID 62  AND NAME HD*  ) (RESID 21  AND NAME HB2  )    3.7   1.1   1.1 
ASSIGN (RESID 80  AND NAME HD2  ) (RESID 80  AND NAME HG1  )    2.9   0.9   0.9 
ASSIGN (RESID 7   AND NAME HB1  ) (RESID 6   AND NAME HB1  )    4.0   1.2   1.2 
ASSIGN (RESID 80  AND NAME HB1  ) (RESID 80  AND NAME HG2  )    2.3   0.7   0.7 
ASSIGN (RESID 80  AND NAME HG1  ) (RESID 17  AND NAME HG12 )    2.6   0.8   0.8 
ASSIGN (RESID 50  AND NAME HB1  ) (RESID 50  AND NAME HB2  )    2.4   0.7   0.7 
ASSIGN (RESID 47  AND NAME HG1  ) (RESID 47  AND NAME HB1  )    2.2   0.7   0.7 
ASSIGN (RESID 28  AND NAME HB*  ) (RESID 52  AND NAME HB1  )    2.6   0.8   0.8 
ASSIGN (RESID 49  AND NAME HB1  ) (RESID 49  AND NAME HB2  )    2.1   0.6   0.6 
ASSIGN (RESID 16  AND NAME HG2  ) (RESID 16  AND NAME HD*  )    2.8   0.9   0.9 
ASSIGN (RESID 43  AND NAME HG1  ) (RESID 43  AND NAME HG2  )    2.6   0.8   0.8 
ASSIGN (RESID 40  AND NAME HG11 ) (RESID 40  AND NAME HG12 )    2.4   0.7   0.7 
ASSIGN (RESID 83  AND NAME HG2* ) (RESID 81  AND NAME HG*  )    3.1   0.9   0.9 
ASSIGN (RESID 34  AND NAME HB2  ) (RESID 34  AND NAME HG2  )    2.8   0.8   0.8 
ASSIGN (RESID 24  AND NAME HB1  ) (RESID 24  AND NAME HG   )    2.3   0.7   0.7 
ASSIGN (RESID 34  AND NAME HG2  ) (RESID 34  AND NAME HG1  )    2.4   0.7   0.7 
ASSIGN (RESID 43  AND NAME HB1  ) (RESID 43  AND NAME HG2  )    2.0   0.6   0.6 
ASSIGN (RESID 16  AND NAME HB1  ) (RESID 16  AND NAME HB2  )    2.0   0.6   0.6 
ASSIGN (RESID 47  AND NAME HB2  ) (RESID 47  AND NAME HG1  )    2.5   0.7   0.7 
ASSIGN (RESID 16  AND NAME HE*  ) (RESID 16  AND NAME HB1  )    4.5   1.3   1.3 
ASSIGN (RESID 6   AND NAME HE*  ) (RESID 79  AND NAME HG12 )    4.6   1.4   1.4 
ASSIGN (RESID 43  AND NAME HB1  ) (RESID 43  AND NAME HG1  )    2.6   0.8   0.8 
ASSIGN (RESID 79  AND NAME HG2* ) (RESID 17  AND NAME HD1* )    3.4   1.0   1.0 
ASSIGN (RESID 63  AND NAME HG2  ) (RESID 79  AND NAME HD1* )    3.7   1.1   1.1 
ASSIGN (RESID 6   AND NAME HB2  ) (RESID 79  AND NAME HG2* )    3.0   0.9   0.9 
ASSIGN (RESID 57  AND NAME HG1  ) (RESID 49  AND NAME HD1* )    3.5   1.0   1.0 
ASSIGN (RESID 4   AND NAME HB2  ) (RESID 4   AND NAME HA   )    2.7   0.8   0.8 
ASSIGN (RESID 37  AND NAME HB1  ) (RESID 37  AND NAME HA   )    2.7   0.8   0.8 
ASSIGN (RESID 55  AND NAME HE   ) (RESID 55  AND NAME HD1  )    2.6   0.8   0.8 
ASSIGN (RESID 80  AND NAME HB1  ) (RESID 5   AND NAME HA   )    4.0   1.2   1.2 
ASSIGN (RESID 6   AND NAME HG2  ) (RESID 6   AND NAME HB1  )    2.5   0.7   0.7 
ASSIGN (RESID 14  AND NAME HN   ) (RESID 14  AND NAME HA   )    3.3   1.0   1.0 
ASSIGN (RESID 3   AND NAME HG*  ) (RESID 14  AND NAME HN   )    3.7   1.1   1.1 
ASSIGN (RESID 16  AND NAME HG2  ) (RESID 16  AND NAME HB2  )    2.8   0.8   0.8 
ASSIGN (RESID 61  AND NAME HD2* ) (RESID 61  AND NAME HA   )    3.9   1.2   1.2 
ASSIGN (RESID 22  AND NAME HN   ) (RESID 22  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 25  AND NAME HB2  ) (RESID 25  AND NAME HA   )    2.7   0.8   0.8 
ASSIGN (RESID 25  AND NAME HB1  ) (RESID 25  AND NAME HA   )    3.1   0.9   0.9 
ASSIGN (RESID 26  AND NAME HB1  ) (RESID 26  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 32  AND NAME HG2  ) (RESID 32  AND NAME HA   )    3.4   1.0   1.0 
ASSIGN (RESID 37  AND NAME HB2  ) (RESID 37  AND NAME HA   )    2.6   0.8   0.8 
ASSIGN (RESID 45  AND NAME HD2  ) (RESID 45  AND NAME HG2  )    3.1   0.9   0.9 
ASSIGN (RESID 51  AND NAME HG1  ) (RESID 51  AND NAME HB2  )    2.8   0.8   0.8 
ASSIGN (RESID 52  AND NAME HB1  ) (RESID 52  AND NAME HA   )    2.9   0.9   0.9 
ASSIGN (RESID 53  AND NAME HB2  ) (RESID 53  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 54  AND NAME HN   ) (RESID 54  AND NAME HA   )    3.1   0.9   0.9 
ASSIGN (RESID 54  AND NAME HB1  ) (RESID 54  AND NAME HA   )    2.7   0.8   0.8 
ASSIGN (RESID 55  AND NAME HD1  ) (RESID 55  AND NAME HA   )    3.2   1.0   1.0 
ASSIGN (RESID 34  AND NAME HB1  ) (RESID 34  AND NAME HA   )    2.6   0.8   0.8 
ASSIGN (RESID 58  AND NAME HN   ) (RESID 58  AND NAME HA   )    3.0   0.9   0.9 
ASSIGN (RESID 59  AND NAME HG*  ) (RESID 59  AND NAME HB2  )    2.9   0.9   0.9 
ASSIGN (RESID 62  AND NAME HN   ) (RESID 62  AND NAME HB2  )    3.1   0.9   0.9 
ASSIGN (RESID 62  AND NAME HE   ) (RESID 62  AND NAME HB1  )    3.2   0.9   0.9 
ASSIGN (RESID 62  AND NAME HB1  ) (RESID 62  AND NAME HA   )    3.3   1.0   1.0 
ASSIGN (RESID 63  AND NAME HG1  ) (RESID 63  AND NAME HB2  )    2.2   0.7   0.7 
ASSIGN (RESID 64  AND NAME HD1  ) (RESID 56  AND NAME HA   )    3.3   1.0   1.0 
ASSIGN (RESID 74  AND NAME HN   ) (RESID 74  AND NAME HB1  )    2.6   0.8   0.8 
ASSIGN (RESID 75  AND NAME HN   ) (RESID 75  AND NAME HB2  )    2.8   0.8   0.8 
ASSIGN (RESID 77  AND NAME HB2  ) (RESID 77  AND NAME HA   )    2.7   0.8   0.8 
ASSIGN (RESID 77  AND NAME HB1  ) (RESID 77  AND NAME HA   )    2.8   0.8   0.8 
ASSIGN (RESID 72  AND NAME HB1  ) (RESID 72  AND NAME HG2  )    2.9   0.9   0.9 
ASSIGN (RESID 79  AND NAME HG11 ) (RESID 79  AND NAME HG12 )    1.9   0.6   0.6 
ASSIGN (RESID 81  AND NAME HB1  ) (RESID 81  AND NAME HA   )    2.9   0.9   0.9 
ASSIGN (RESID 10  AND NAME HN   ) (RESID 9   AND NAME HA   )    3.1   0.9   0.9 
ASSIGN (RESID 11  AND NAME HN   ) (RESID 10  AND NAME HA1  )    3.7   1.1   1.1 
ASSIGN (RESID 12  AND NAME HN   ) (RESID 11  AND NAME HB*  )    3.4   1.0   1.0 
ASSIGN (RESID 12  AND NAME HN   ) (RESID 11  AND NAME HA   )    3.5   1.1   1.1 
ASSIGN (RESID 13  AND NAME HN   ) (RESID 12  AND NAME HB1  )    3.4   1.0   1.0 
ASSIGN (RESID 13  AND NAME HN   ) (RESID 12  AND NAME HB2  )    5.0   1.5   1.5 
ASSIGN (RESID 16  AND NAME HN   ) (RESID 15  AND NAME HN   )    2.3   0.7   0.7 
ASSIGN (RESID 18  AND NAME HN   ) (RESID 17  AND NAME HB   )    3.0   0.9   0.9 
ASSIGN (RESID 19  AND NAME HN   ) (RESID 18  AND NAME HB1  )    3.7   1.1   1.1 
ASSIGN (RESID 21  AND NAME HN   ) (RESID 20  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 23  AND NAME HN   ) (RESID 22  AND NAME HB2  )    3.7   1.1   1.1 
ASSIGN (RESID 24  AND NAME HN   ) (RESID 23  AND NAME HA2  )    3.5   1.0   1.0 
ASSIGN (RESID 27  AND NAME HG2  ) (RESID 28  AND NAME HB*  )    3.7   1.1   1.1 
ASSIGN (RESID 31  AND NAME HN   ) (RESID 30  AND NAME HA   )    4.8   1.5   1.5 
ASSIGN (RESID 33  AND NAME HN   ) (RESID 32  AND NAME HG2  )    3.3   1.0   1.0 
ASSIGN (RESID 33  AND NAME HN   ) (RESID 32  AND NAME HG1  )    3.5   1.1   1.1 
ASSIGN (RESID 34  AND NAME HB1  ) (RESID 35  AND NAME HN   )    5.0   1.5   1.5 
ASSIGN (RESID 39  AND NAME HN   ) (RESID 38  AND NAME HA2  )    3.3   1.0   1.0 
ASSIGN (RESID 46  AND NAME HB*  ) (RESID 47  AND NAME HN   )    3.6   1.1   1.1 
ASSIGN (RESID 49  AND NAME HN   ) (RESID 48  AND NAME HB1  )    5.0   1.5   1.5 
ASSIGN (RESID 50  AND NAME HB1  ) (RESID 51  AND NAME HN   )    3.0   0.9   0.9 
ASSIGN (RESID 53  AND NAME HN   ) (RESID 52  AND NAME HA   )    2.4   0.7   0.7 
ASSIGN (RESID 64  AND NAME HN   ) (RESID 63  AND NAME HG2  )    4.1   1.2   1.2 
ASSIGN (RESID 64  AND NAME HN   ) (RESID 63  AND NAME HG1  )    5.0   1.5   1.5 
ASSIGN (RESID 65  AND NAME HN   ) (RESID 66  AND NAME HN   )    4.9   1.5   1.5 
ASSIGN (RESID 66  AND NAME HN   ) (RESID 66  AND NAME HB1  )    3.2   1.0   1.0 
ASSIGN (RESID 66  AND NAME HB1  ) (RESID 67  AND NAME HN   )    3.4   1.0   1.0 
ASSIGN (RESID 67  AND NAME HG1  ) (RESID 68  AND NAME HN   )    4.3   1.3   1.3 
ASSIGN (RESID 71  AND NAME HD21 ) (RESID 70  AND NAME HG2  )    5.0   1.5   1.5 
ASSIGN (RESID 73  AND NAME HE   ) (RESID 74  AND NAME HN   )    3.9   1.2   1.2 
ASSIGN (RESID 77  AND NAME HN   ) (RESID 76  AND NAME HA   )    2.2   0.7   0.7 
ASSIGN (RESID 78  AND NAME HN   ) (RESID 77  AND NAME HA   )    2.5   0.7   0.7 
ASSIGN (RESID 64  AND NAME HN   ) (RESID 55  AND NAME HN   )    3.0   0.9   0.9 
ASSIGN (RESID 39  AND NAME HE*  ) (RESID 66  AND NAME HE*  )    4.3   1.3   1.3 
ASSIGN (RESID 66  AND NAME HE*  ) (RESID 64  AND NAME HH2  )    3.4   1.0   1.0 
ASSIGN (RESID 32  AND NAME HE21 ) (RESID 32  AND NAME HE22 )    2.3   0.7   0.7 
ASSIGN (RESID 82  AND NAME HN   ) (RESID 83  AND NAME HA   )    4.4   1.3   1.3 
ASSIGN (RESID 46  AND NAME HN   ) (RESID 45  AND NAME HD1  )    3.8   1.1   1.1 
ASSIGN (RESID 47  AND NAME HB1  ) (RESID 48  AND NAME HN   )    4.8   1.5   1.5 
ASSIGN (RESID 54  AND NAME HN   ) (RESID 17  AND NAME HB   )    3.5   1.1   1.1 
ASSIGN (RESID 56  AND NAME HN   ) (RESID 57  AND NAME HB1  )    3.8   1.1   1.1 
ASSIGN (RESID 62  AND NAME HN   ) (RESID 76  AND NAME HB1  )    3.5   1.0   1.0 
ASSIGN (RESID 62  AND NAME HN   ) (RESID 62  AND NAME HG*  )    4.0   1.2   1.2 
ASSIGN (RESID 39  AND NAME HE*  ) (RESID 57  AND NAME HB1  )    3.3   1.0   1.0 
ASSIGN (RESID 13  AND NAME HE*  ) (RESID 79  AND NAME HG12 )    4.5   1.4   1.4 
ASSIGN (RESID 64  AND NAME HD1  ) (RESID 76  AND NAME HD2* )    3.8   1.1   1.1 
ASSIGN (RESID 42  AND NAME HN   ) (RESID 40  AND NAME HG11 )    4.7   1.4   1.4 
ASSIGN (RESID 55  AND NAME HN   ) (RESID 49  AND NAME HD1* )    5.0   1.5   1.5 
ASSIGN (RESID 60  AND NAME HG*  ) (RESID 62  AND NAME HN   )    2.9   0.9   0.9 
ASSIGN (RESID 39  AND NAME HB1  ) (RESID 39  AND NAME HD*  )    3.0   0.9   0.9 
ASSIGN (RESID 32  AND NAME HG1  ) (RESID 31  AND NAME HA   )    3.4   1.0   1.0 
ASSIGN (RESID 54  AND NAME HB1  ) (RESID 55  AND NAME HA   )    4.1   1.2   1.2 
ASSIGN (RESID 5   AND NAME HB1  ) (RESID 82  AND NAME HA   )    3.5   1.1   1.1 
ASSIGN (RESID 75  AND NAME HG2  ) (RESID 20  AND NAME HB   )    3.2   0.9   0.9 
ASSIGN (RESID 24  AND NAME HD*  ) (RESID 68  AND NAME HB   )    5.0   1.5   1.5 
ASSIGN (RESID 63  AND NAME HG1  ) (RESID 10  AND NAME HA1  )    3.5   1.1   1.1 
ASSIGN (RESID 45  AND NAME HD1  ) (RESID 43  AND NAME HA   )    3.5   1.1   1.1 
ASSIGN (RESID 60  AND NAME HB*  ) (RESID 59  AND NAME HA   )    4.0   1.2   1.2 
ASSIGN (RESID 27  AND NAME HB1  ) (RESID 34  AND NAME HD1  )    3.1   0.9   0.9 
ASSIGN (RESID 49  AND NAME HD2* ) (RESID 41  AND NAME HB1  )    5.0   1.5   1.5 
ASSIGN (RESID 76  AND NAME HB2  ) (RESID 21  AND NAME HB2  )    3.3   1.0   1.0 
ASSIGN (RESID 49  AND NAME HD1* ) (RESID 57  AND NAME HG2  )    4.5   1.4   1.4 
ASSIGN (RESID 29  AND NAME HB2  ) (RESID 28  AND NAME HB*  )    4.8   1.4   1.4 
ASSIGN (RESID 53  AND NAME HN   ) (RESID 51  AND NAME HB2  )    2.6   0.8   0.8 
ASSIGN (RESID 5   AND NAME HN   ) (RESID 3   AND NAME HB1  )    4.5   1.4   1.4 
ASSIGN (RESID 61  AND NAME HG   ) (RESID 61  AND NAME HN   )    3.3   1.0   1.0 
ASSIGN (RESID 61  AND NAME HB2  ) (RESID 61  AND NAME HN   )    2.8   0.8   0.8 
ASSIGN (RESID 18  AND NAME O    ) (RESID 26  AND NAME HN   )    2.2   0.7   0.3 
ASSIGN (RESID 18  AND NAME O    ) (RESID 26  AND NAME N    )    3.4   0.7   0.3 
ASSIGN (RESID 20  AND NAME HN   ) (RESID 24  AND NAME O    )    2.2   0.7   0.3 
ASSIGN (RESID 20  AND NAME N    ) (RESID 24  AND NAME O    )    3.4   0.7   0.3 
ASSIGN (RESID 20  AND NAME O    ) (RESID 24  AND NAME N    )    3.4   0.7   0.3 
ASSIGN (RESID 63  AND NAME O    ) (RESID 77  AND NAME HN   )    2.2   0.7   0.3 
ASSIGN (RESID 63  AND NAME O    ) (RESID 77  AND NAME N    )    3.4   0.7   0.3 
ASSIGN (RESID 65  AND NAME HN   ) (RESID 75  AND NAME O    )    2.2   0.7   0.3 
ASSIGN (RESID 65  AND NAME N    ) (RESID 75  AND NAME O    )    3.4   0.7   0.3 
ASSIGN (RESID 65  AND NAME O    ) (RESID 75  AND NAME HN   )    2.2   0.7   0.3 
ASSIGN (RESID 65  AND NAME O    ) (RESID 75  AND NAME N    )    3.4   0.7   0.3 
ASSIGN (RESID 67  AND NAME HN   ) (RESID 73  AND NAME O    )    2.2   0.7   0.3 
ASSIGN (RESID 67  AND NAME N    ) (RESID 73  AND NAME O    )    3.4   0.7   0.3 
ASSIGN (RESID 84  AND NAME HG11 ) (RESID 60  AND NAME HB*  )    5.0   1.0   1.0 
ASSIGN (RESID 74  AND NAME HE1  ) (RESID 84  AND NAME HB11 )    5.0   0.9   0.9 
ASSIGN (RESID 74  AND NAME HH2  ) (RESID 84  AND NAME HB21 )    4.6   0.9   0.9 
ASSIGN (RESID 73  AND NAME HE   ) (RESID 84  AND NAME HB21 )    3.5   0.7   0.7 
ASSIGN (RESID 76  AND NAME HD2* ) (RESID 84  AND NAME HG22 )    4.0   0.8   0.8 
ASSIGN (RESID 64  AND NAME HZ2  ) (RESID 84  AND NAME HD   )    3.7   0.7   0.7 
ASSIGN (RESID 74  AND NAME HE1  ) (RESID 84  AND NAME HG11 )    4.4   0.9   0.9 
ASSIGN (RESID 74  AND NAME HE3  ) (RESID 84  AND NAME HB21 )    3.6   0.7   0.7 
ASSIGN (RESID 74  AND NAME HE1  ) (RESID 84  AND NAME HA   )    3.7   0.7   0.7 
ASSIGN (RESID 74  AND NAME HZ2  ) (RESID 84  AND NAME HG21 )    4.5   0.9   0.9 
ASSIGN (RESID 84  AND NAME HG11 ) (RESID 74  AND NAME HZ2  )    3.8   0.8   0.8 
ASSIGN (RESID 39  AND NAME HD*  ) (RESID 84  AND NAME HB12 )    4.7   0.9   0.9 
ASSIGN (RESID 74  AND NAME HD1  ) (RESID 84  AND NAME HB21 )    2.9   0.6   0.6 
ASSIGN (RESID 74  AND NAME HD1  ) (RESID 84  AND NAME HA   )    3.2   0.6   0.6 
ASSIGN (RESID 74  AND NAME HH2  ) (RESID 84  AND NAME HE*  )    3.1   0.6   0.6 
ASSIGN (RESID 74  AND NAME HZ2  ) (RESID 84  AND NAME HE*  )    4.1   0.8   0.8 
ASSIGN (RESID 74  AND NAME HZ3  ) (RESID 84  AND NAME HE*  )    4.9   1.0   1.0 
ASSIGN (RESID 84  AND NAME HB22 ) (RESID 64  AND NAME HB1  )    5.0   1.0   1.0 
ASSIGN (RESID 84  AND NAME HB12 ) (RESID 74  AND NAME HB1  )    4.3   0.9   0.9 
ASSIGN (RESID 84  AND NAME HG11 ) (RESID 74  AND NAME HB1  )    4.7   0.9   0.9 
ASSIGN (RESID 39  AND NAME HE*  ) (RESID 84  AND NAME HB11 )    5.0   1.0   1.0 
ASSIGN (RESID 39  AND NAME HE*  ) (RESID 84  AND NAME HB12 )    3.9   0.8   0.8 
ASSIGN (RESID 74  AND NAME HD1  ) (RESID 84  AND NAME HB22 )    5.0   1.0   1.0 
ASSIGN (RESID 84  AND NAME HB12 ) (RESID 74  AND NAME HE3  )    5.0   1.0   1.0 
ASSIGN (RESID 84  AND NAME HB21 ) (RESID 66  AND NAME HE*  )    4.8   1.0   1.0 
ASSIGN (RESID 84  AND NAME HB12 ) (RESID 64  AND NAME HH2  )    4.2   0.8   0.8 
ASSIGN (RESID 39  AND NAME HE*  ) (RESID 84  AND NAME HB22 )    4.0   0.8   0.8 
ASSIGN (RESID 66  AND NAME HE*  ) (RESID 84  AND NAME HB22 )    4.5   0.9   0.9 
{  Dihedral Constraints }                                                       
evaluate ($dihedral_scale=     1.00 )                                           
constraints                                                                     
  dihedral                                                                      
    reset                                                                       
scale $dihedral_scale                                                           
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 5 and name c ) ( resid 6 and name n )                     
              ( resid 6 and name ca ) ( resid 6 and name c ) 5 -120.0 40.0 2    
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 6 and name c ) ( resid 7 and name n )                     
              ( resid 7 and name ca ) ( resid 7 and name c ) 5 -60.0 40.0 2     
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 8 and name c ) ( resid 9 and name n )                     
              ( resid 9 and name ca ) ( resid 9 and name c ) 5 -120.0 40.0 2    
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 10 and name c ) ( resid 11 and name n )                   
              ( resid 11 and name ca ) ( resid 11 and name c ) 5 -60.0 30.0 2   
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 11 and name c ) ( resid 12 and name n )                   
              ( resid 12 and name ca ) ( resid 12 and name c ) 5 -120.0 40.0 2  
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 12 and name c ) ( resid 13 and name n )                   
              ( resid 13 and name ca ) ( resid 13 and name c ) 5 -60.0 30.0 2   
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 13 and name c ) ( resid 14 and name n )                   
              ( resid 14 and name ca ) ( resid 14 and name c ) 5 -120.0 50.0 2  
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 17 and name c ) ( resid 18 and name n )                   
              ( resid 18 and name ca ) ( resid 18 and name c ) 5 -120.0 40.0 2  
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 18 and name c ) ( resid 19 and name n )                   
              ( resid 19 and name ca ) ( resid 19 and name c ) 5 -120.0 40.0 2  
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 20 and name c ) ( resid 21 and name n )                   
              ( resid 21 and name ca ) ( resid 21 and name c ) 5 -60.0 30.0 2   
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 21 and name c ) ( resid 22 and name n )                   
              ( resid 22 and name ca ) ( resid 22 and name c ) 5 -120.0 60.0 2  
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 24 and name c ) ( resid 25 and name n )                   
              ( resid 25 and name ca ) ( resid 25 and name c ) 5 -60.0 30.0 2   
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 25 and name c ) ( resid 26 and name n )                   
              ( resid 26 and name ca ) ( resid 26 and name c ) 5 -60.0 40.0 2   
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 27 and name c ) ( resid 28 and name n )                   
              ( resid 28 and name ca ) ( resid 28 and name c ) 5 -60.0 30.0 2   
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 28 and name c ) ( resid 29 and name n )                   
              ( resid 29 and name ca ) ( resid 29 and name c ) 5 -60.0 30.0 2   
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 30 and name c ) ( resid 31 and name n )                   
              ( resid 31 and name ca ) ( resid 31 and name c ) 5 -120.0 50.0 2  
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 31 and name c ) ( resid 32 and name n )                   
              ( resid 32 and name ca ) ( resid 32 and name c ) 5 -120.0 50.0 2  
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 35 and name c ) ( resid 36 and name n )                   
              ( resid 36 and name ca ) ( resid 36 and name c ) 5 -60.0 30.0 2   
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 36 and name c ) ( resid 37 and name n )                   
              ( resid 37 and name ca ) ( resid 37 and name c ) 5 -60.0 30.0 2   
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 41 and name c ) ( resid 42 and name n )                   
              ( resid 42 and name ca ) ( resid 42 and name c ) 5 -60.0 30.0 2   
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 42 and name c ) ( resid 43 and name n )                   
              ( resid 43 and name ca ) ( resid 43 and name c ) 5 -120.0 60.0 2  
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 43 and name c ) ( resid 44 and name n )                   
              ( resid 44 and name ca ) ( resid 44 and name c ) 5 -120.0 40.0 2  
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 46 and name c ) ( resid 47 and name n )                   
              ( resid 47 and name ca ) ( resid 47 and name c ) 5 -120.0 40.0 2  
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 49 and name c ) ( resid 50 and name n )                   
              ( resid 50 and name ca ) ( resid 50 and name c ) 5 -120.0 50.0 2  
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 51 and name c ) ( resid 52 and name n )                   
              ( resid 52 and name ca ) ( resid 52 and name c ) 5 -120.0 40.0 2  
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 53 and name c ) ( resid 54 and name n )                   
              ( resid 54 and name ca ) ( resid 54 and name c ) 5 -60.0 30.0 2   
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 55 and name c ) ( resid 56 and name n )                   
              ( resid 56 and name ca ) ( resid 56 and name c ) 5 -120.0 50.0 2  
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 57 and name c ) ( resid 58 and name n )                   
              ( resid 58 and name ca ) ( resid 58 and name c ) 5 -120.0 40.0 2  
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 59 and name c ) ( resid 60 and name n )                   
              ( resid 60 and name ca ) ( resid 60 and name c ) 5 -60.0 40.0 2   
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 60 and name c ) ( resid 61 and name n )                   
              ( resid 61 and name ca ) ( resid 61 and name c ) 5 -60.0 30.0 2   
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 61 and name c ) ( resid 62 and name n )                   
              ( resid 62 and name ca ) ( resid 62 and name c ) 5 -60.0 50.0 2   
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 63 and name c ) ( resid 64 and name n )                   
              ( resid 64 and name ca ) ( resid 64 and name c ) 5 -120.0 40.0 2  
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 65 and name c ) ( resid 66 and name n )                   
              ( resid 66 and name ca ) ( resid 66 and name c ) 5 -60.0 40.0 2   
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 66 and name c ) ( resid 67 and name n )                   
              ( resid 67 and name ca ) ( resid 67 and name c ) 5 -120.0 40.0 2  
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 70 and name c ) ( resid 71 and name n )                   
              ( resid 71 and name ca ) ( resid 71 and name c ) 5 -120.0 40.0 2  
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 71 and name c ) ( resid 72 and name n )                   
              ( resid 72 and name ca ) ( resid 72 and name c ) 5 -120.0 40.0 2  
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 72 and name c ) ( resid 73 and name n )                   
              ( resid 73 and name ca ) ( resid 73 and name c ) 5 -60.0 40.0 2   
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 73 and name c ) ( resid 74 and name n )                   
              ( resid 74 and name ca ) ( resid 74 and name c ) 5 -60.0 50.0 2   
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 75 and name c ) ( resid 76 and name n )                   
              ( resid 76 and name ca ) ( resid 76 and name c ) 5 -60.0 30.0 2   
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 76 and name c ) ( resid 77 and name n )                   
              ( resid 77 and name ca ) ( resid 77 and name c ) 5 -60.0 40.0 2   
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 77 and name c ) ( resid 78 and name n )                   
              ( resid 78 and name ca ) ( resid 78 and name c ) 5 -120.0 40.0 2  
{*J-HN-HA > 8 Hz*}                                                              
       assign ( resid 78 and name c ) ( resid 79 and name n )                   
              ( resid 79 and name ca ) ( resid 79 and name c ) 5 -120.0 40.0 2  
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 80 and name c ) ( resid 81 and name n )                   
              ( resid 81 and name ca ) ( resid 81 and name c ) 5 -60.0 30.0 2   
{*J-HN-HA < 6 Hz*}                                                              
       assign ( resid 81 and name c ) ( resid 82 and name n )                   
              ( resid 82 and name ca ) ( resid 82 and name c ) 5 -60.0 30.0 2   
{*HA-HB1  60*}                                                                  
       assign ( resid 5 and name ha ) ( resid 5 and name ca )                   
              ( resid 5 and name cb ) ( resid 5 and name hb1 ) 5 60.0 20.0 2    
{*HA-HB1  -60*}                                                                 
       assign ( resid 6 and name ha ) ( resid 6 and name ca )                   
              ( resid 6 and name cb ) ( resid 6 and name hb1 ) 5 -60.0 35.0 2   
{*HA-HB1  -60*}                                                                 
       assign ( resid 7 and name ha ) ( resid 7 and name ca )                   
              ( resid 7 and name cb ) ( resid 7 and name hb1 ) 5 -60.0 30.0 2   
{*HA-HB1  180*}                                                                 
       assign ( resid 12 and name ha ) ( resid 12 and name ca )                 
              ( resid 12 and name cb ) ( resid 12 and name hb1 ) 5 180.0 20.0 2 
{*HA-HB1  -60*}                                                                 
       assign ( resid 16 and name ha ) ( resid 16 and name ca )                 
              ( resid 16 and name cb ) ( resid 16 and name hb1 ) 5 -60.0 20.0 2 
{*HA-HB1  60*}                                                                  
       assign ( resid 21 and name ha ) ( resid 21 and name ca )                 
              ( resid 21 and name cb ) ( resid 21 and name hb1 ) 5 60.0 20.0 2  
{*HA-HB1  -60*}                                                                 
       assign ( resid 24 and name ha ) ( resid 24 and name ca )                 
              ( resid 24 and name cb ) ( resid 24 and name hb1 ) 5 -60.0 20.0 2 
{*HA-HB1  -60*}                                                                 
       assign ( resid 26 and name ha ) ( resid 26 and name ca )                 
              ( resid 26 and name cb ) ( resid 26 and name hb1 ) 5 -60.0 30.0 2 
{*HA-HB1  180*}                                                                 
       assign ( resid 27 and name ha ) ( resid 27 and name ca )                 
              ( resid 27 and name cb ) ( resid 27 and name hb1 ) 5 180.0 30.0 2 
{*HA-HB1  -60*}                                                                 
       assign ( resid 29 and name ha ) ( resid 29 and name ca )                 
              ( resid 29 and name cb ) ( resid 29 and name hb1 ) 5 -60.0 30.0 2 
{*HA-HB1  180*}                                                                 
       assign ( resid 31 and name ha ) ( resid 31 and name ca )                 
              ( resid 31 and name cb ) ( resid 31 and name hb1 ) 5 180.0 20.0 2 
{*HA-HB1  60*}                                                                  
       assign ( resid 37 and name ha ) ( resid 37 and name ca )                 
              ( resid 37 and name cb ) ( resid 37 and name hb1 ) 5 60.0 20.0 2  
{*HA-HB1  -60*}                                                                 
       assign ( resid 43 and name ha ) ( resid 43 and name ca )                 
              ( resid 43 and name cb ) ( resid 43 and name hb1 ) 5 -60.0 20.0 2 
{*HA-HB1  -60*}                                                                 
       assign ( resid 44 and name ha ) ( resid 44 and name ca )                 
              ( resid 44 and name cb ) ( resid 44 and name hb1 ) 5 -60.0 20.0 2 
{*HA-HB1  60*}                                                                  
       assign ( resid 48 and name ha ) ( resid 48 and name ca )                 
              ( resid 48 and name cb ) ( resid 48 and name hb1 ) 5 60.0 20.0 2  
{*HA-HB1  -60*}                                                                 
       assign ( resid 49 and name ha ) ( resid 49 and name ca )                 
              ( resid 49 and name cb ) ( resid 49 and name hb1 ) 5 -60.0 20.0 2 
{*HA-HB1  180*}                                                                 
       assign ( resid 50 and name ha ) ( resid 50 and name ca )                 
              ( resid 50 and name cb ) ( resid 50 and name hb1 ) 5 180.0 40.0 2 
{*HA-HB1  -60*}                                                                 
       assign ( resid 51 and name ha ) ( resid 51 and name ca )                 
              ( resid 51 and name cb ) ( resid 51 and name hb1 ) 5 -60.0 40.0 2 
{*HA-HB1  -60*}                                                                 
       assign ( resid 53 and name ha ) ( resid 53 and name ca )                 
              ( resid 53 and name cb ) ( resid 53 and name hb1 ) 5 -60.0 20.0 2 
{*HA-HB1  -60*}                                                                 
       assign ( resid 54 and name ha ) ( resid 54 and name ca )                 
              ( resid 54 and name cb ) ( resid 54 and name hb1 ) 5 -60.0 20.0 2 
{*HA-HB1  -60*}                                                                 
       assign ( resid 55 and name ha ) ( resid 55 and name ca )                 
              ( resid 55 and name cb ) ( resid 55 and name hb1 ) 5 -60.0 30.0 2 
{*HA-HB1  60*}                                                                  
       assign ( resid 58 and name ha ) ( resid 58 and name ca )                 
              ( resid 58 and name cb ) ( resid 58 and name hb1 ) 5 60.0 20.0 2  
{*HA-HB1  180*}                                                                 
       assign ( resid 61 and name ha ) ( resid 61 and name ca )                 
              ( resid 61 and name cb ) ( resid 61 and name hb1 ) 5 180.0 40.0 2 
{*HA-HB1  180*}                                                                 
       assign ( resid 62 and name ha ) ( resid 62 and name ca )                 
              ( resid 62 and name cb ) ( resid 62 and name hb1 ) 5 180.0 40.0 2 
{*HA-HB1  60*}                                                                  
       assign ( resid 64 and name ha ) ( resid 64 and name ca )                 
              ( resid 64 and name cb ) ( resid 64 and name hb1 ) 5 60.0 20.0 2  
{*HA-HB1  60*}                                                                  
       assign ( resid 65 and name ha ) ( resid 65 and name ca )                 
              ( resid 65 and name cb ) ( resid 65 and name hb1 ) 5 60.0 40.0 2  
{*HA-HB1  -60*}                                                                 
       assign ( resid 66 and name ha ) ( resid 66 and name ca )                 
              ( resid 66 and name cb ) ( resid 66 and name hb1 ) 5 -60.0 20.0 2 
{*HA-HB1  180*}                                                                 
       assign ( resid 69 and name ha ) ( resid 69 and name ca )                 
              ( resid 69 and name cb ) ( resid 69 and name hb1 ) 5 180.0 20.0 2 
{*HA-HB1  -60*}                                                                 
       assign ( resid 71 and name ha ) ( resid 71 and name ca )                 
              ( resid 71 and name cb ) ( resid 71 and name hb1 ) 5 -60.0 20.0 2 
{*HA-HB1  180*}                                                                 
       assign ( resid 72 and name ha ) ( resid 72 and name ca )                 
              ( resid 72 and name cb ) ( resid 72 and name hb1 ) 5 180.0 20.0 2 
{*HA-HB1  60*}                                                                  
       assign ( resid 74 and name ha ) ( resid 74 and name ca )                 
              ( resid 74 and name cb ) ( resid 74 and name hb1 ) 5 60.0 20.0 2  
{*HA-HB1  -60*}                                                                 
       assign ( resid 76 and name ha ) ( resid 76 and name ca )                 
              ( resid 76 and name cb ) ( resid 76 and name hb1 ) 5 -60.0 20.0 2 
{*HA-HB1  -60*}                                                                 
       assign ( resid 77 and name ha ) ( resid 77 and name ca )                 
              ( resid 77 and name cb ) ( resid 77 and name hb1 ) 5 -60.0 30.0 2 
{*HA-HB1  180*}                                                                 
       assign ( resid 78 and name ha ) ( resid 78 and name ca )                 
              ( resid 78 and name cb ) ( resid 78 and name hb1 ) 5 180.0 40.0 2 
{*HA-HB1  -60*}                                                                 
       assign ( resid 82 and name ha ) ( resid 82 and name ca )                 
              ( resid 82 and name cb ) ( resid 82 and name hb1 ) 5 -60.0 20.0 2 
end                                                                             
end                                                                             
HEADER    HYDROLASE                               24-SEP-99   1B2I              
TITLE     KRINGLE 2 DOMAIN OF HUMAN PLASMINOGEN: NMR SOLUTION                   
TITLE    2 STRUCTURE OF TRANS-4- AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC            
TITLE    3 ACID (AMCHA) COMPLEX                                                 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PLASMINOGEN;                                               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: KRINGLE 2 DOMAIN;                                          
COMPND   5 EC: 3.4.21.7;                                                        
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MUTATION: C181T, E182S, C188G                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   5 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PQE-8                                     
KEYWDS    SERINE PROTEASE, FIBRINOLYSIS, LYSINE-BINDING DOMAIN,                 
KEYWDS   2 PLASMINOGEN, KRINGLE 2                                               
EXPDTA    NMR                                                                   
AUTHOR    D.N.MARTI, J.SCHALLER, M.LLINAS                                       

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR  -4          1H        THR  -4  -8.013   5.147   6.860
    2   2H    THR  -4          2H        THR  -4  -7.830   4.318   8.268
    3   3H    THR  -4          3H        THR  -4  -9.351   4.550   7.651
    4    HA   THR  -4           HA       THR  -4  -9.400   6.136   9.144
    5    HB   THR  -4           HB       THR  -4  -7.212   5.740  10.119
    6    HG1  THR  -4           HG1      THR  -4  -7.418   8.403   9.271
    7   1HG2  THR  -4          1HG2      THR  -4  -5.941   6.976   7.621
    8   2HG2  THR  -4          2HG2      THR  -4  -5.085   6.606   9.113
    9   3HG2  THR  -4          3HG2      THR  -4  -5.790   5.310   8.168
   10    H    SER  -3           H        SER  -3 -10.122   6.154   6.491
   11    HA   SER  -3           HA       SER  -3 -10.368   8.913   5.946
   12   1HB   SER  -3          1HB       SER  -3  -9.244   8.742   3.608
   13   2HB   SER  -3          2HB       SER  -3  -8.171   8.836   5.004
   14    HG   SER  -3           HG       SER  -3  -7.436   7.119   3.756
   15    H    GLU  -2           H        GLU  -2 -10.095   5.926   4.154
   16    HA   GLU  -2           HA       GLU  -2 -13.015   5.595   4.020
   17   1HB   GLU  -2          1HB       GLU  -2 -12.888   5.101   1.526
   18   2HB   GLU  -2          2HB       GLU  -2 -12.621   6.769   1.949
   19   1HG   GLU  -2          1HG       GLU  -2 -10.105   6.369   1.783
   20   2HG   GLU  -2          2HG       GLU  -2 -10.470   4.744   1.218
   21    H    GLU  -1           H        GLU  -1 -13.427   3.624   4.701
   22    HA   GLU  -1           HA       GLU  -1 -11.136   1.746   4.850
   23   1HB   GLU  -1          1HB       GLU  -1 -13.753   1.300   6.300
   24   2HB   GLU  -1          2HB       GLU  -1 -12.173   0.710   6.705
   25   1HG   GLU  -1          1HG       GLU  -1 -13.234   3.558   7.033
   26   2HG   GLU  -1          2HG       GLU  -1 -12.769   2.450   8.291
   27    H    CYS   1           H        CYS   1 -14.207   2.039   3.148
   28    HA   CYS   1           HA       CYS   1 -13.623  -0.562   1.908
   29   1HB   CYS   1          1HB       CYS   1 -15.903  -1.101   1.602
   30   2HB   CYS   1          2HB       CYS   1 -15.787  -0.713   3.287
   31    H    MET   2           H        MET   2 -13.851  -0.458  -0.355
   32    HA   MET   2           HA       MET   2 -14.115   2.349  -1.418
   33   1HB   MET   2          1HB       MET   2 -11.889   0.292  -1.858
   34   2HB   MET   2          2HB       MET   2 -12.200   1.531  -3.055
   35   1HG   MET   2          1HG       MET   2 -10.374   2.063  -1.455
   36   2HG   MET   2          2HG       MET   2 -11.554   3.328  -1.712
   37   1HE   MET   2          1HE       MET   2 -10.130   0.677   0.412
   38   2HE   MET   2          2HE       MET   2 -10.862   0.745   2.004
   39   3HE   MET   2          3HE       MET   2 -11.732   0.016   0.633
   40    H    HIS   3           H        HIS   3 -14.360   2.562  -3.562
   41    HA   HIS   3           HA       HIS   3 -16.391   0.834  -4.663
   42   1HB   HIS   3          1HB       HIS   3 -14.874   3.220  -5.880
   43   2HB   HIS   3          2HB       HIS   3 -16.243   2.425  -6.634
   44    HD1  HIS   3           HD1      HIS   3 -16.982   2.485  -3.076
   45    HD2  HIS   3           HD2      HIS   3 -17.173   5.215  -6.262
   46    HE1  HIS   3           HE1      HIS   3 -18.554   4.343  -2.378
   47    H    GLY   4           H        GLY   4 -12.929   0.867  -4.790
   48   1HA   GLY   4          1HA       GLY   4 -12.806  -1.633  -5.965
   49   2HA   GLY   4          2HA       GLY   4 -12.742  -0.524  -7.347
   50    H    SER   5           H        SER   5 -10.957   1.360  -7.061
   51    HA   SER   5           HA       SER   5  -8.530  -0.157  -6.730
   52   1HB   SER   5          1HB       SER   5  -7.750   1.953  -8.070
   53   2HB   SER   5          2HB       SER   5  -8.932   0.886  -8.835
   54    HG   SER   5           HG       SER   5  -9.624   3.143  -8.859
   55    H    GLY   6           H        GLY   6 -10.182   2.069  -4.802
   56   1HA   GLY   6          1HA       GLY   6  -9.512   3.370  -2.990
   57   2HA   GLY   6          2HA       GLY   6  -8.271   2.110  -2.798
   58    H    GLU   7           H        GLU   7  -8.944   4.835  -4.961
   59    HA   GLU   7           HA       GLU   7  -6.233   5.516  -5.449
   60   1HB   GLU   7          1HB       GLU   7  -8.049   6.314  -6.872
   61   2HB   GLU   7          2HB       GLU   7  -8.791   7.211  -5.584
   62   1HG   GLU   7          1HG       GLU   7  -5.994   7.870  -6.667
   63   2HG   GLU   7          2HG       GLU   7  -7.460   8.575  -7.310
   64    H    ASN   8           H        ASN   8  -8.579   7.110  -3.331
   65    HA   ASN   8           HA       ASN   8  -6.515   8.641  -1.969
   66   1HB   ASN   8          1HB       ASN   8  -8.713   9.638  -2.383
   67   2HB   ASN   8          2HB       ASN   8  -9.527   8.294  -1.609
   68   1HD2  ASN   8          1HD2      ASN   8  -9.749  10.007   1.387
   69   2HD2  ASN   8          2HD2      ASN   8 -10.488   9.035   0.170
   70    H    TYR   9           H        TYR   9  -8.208   5.688  -1.410
   71    HA   TYR   9           HA       TYR   9  -8.423   5.139   1.102
   72   1HB   TYR   9          1HB       TYR   9  -8.813   3.410  -0.536
   73   2HB   TYR   9          2HB       TYR   9  -7.136   3.411  -1.055
   74    HD1  TYR   9           HD1      TYR   9  -9.330   2.588   1.775
   75    HD2  TYR   9           HD2      TYR   9  -5.579   1.924  -0.085
   76    HE1  TYR   9           HE1      TYR   9  -8.868   0.810   3.395
   77    HE2  TYR   9           HE2      TYR   9  -4.998   0.287   1.604
   78    HH   TYR   9           HH       TYR   9  -5.663  -0.711   3.663
   79    H    ASP  10           H        ASP  10  -7.501   5.428   2.836
   80    HA   ASP  10           HA       ASP  10  -5.006   4.063   3.363
   81   1HB   ASP  10          1HB       ASP  10  -4.798   6.371   5.085
   82   2HB   ASP  10          2HB       ASP  10  -3.657   5.753   3.920
   83    H    GLY  11           H        GLY  11  -6.784   2.698   3.838
   84   1HA   GLY  11          1HA       GLY  11  -8.679   3.453   5.865
   85   2HA   GLY  11          2HA       GLY  11  -8.534   1.891   5.148
   86    H    LYS  12           H        LYS  12  -7.326   0.405   5.926
   87    HA   LYS  12           HA       LYS  12  -5.474   0.646   8.156
   88   1HB   LYS  12          1HB       LYS  12  -8.171  -0.720   8.654
   89   2HB   LYS  12          2HB       LYS  12  -6.795  -0.980   9.676
   90   1HG   LYS  12          1HG       LYS  12  -8.268   1.653   9.332
   91   2HG   LYS  12          2HG       LYS  12  -8.329   0.602  10.693
   92   1HD   LYS  12          1HD       LYS  12  -5.883   2.204   9.790
   93   2HD   LYS  12          2HD       LYS  12  -6.876   2.509  11.177
   94   1HE   LYS  12          1HE       LYS  12  -4.970   0.154  10.748
   95   2HE   LYS  12          2HE       LYS  12  -4.814   1.453  11.913
   96   1HZ   LYS  12          1HZ       LYS  12  -6.919  -0.603  11.907
   97   2HZ   LYS  12          2HZ       LYS  12  -5.553  -0.557  12.914
   98   3HZ   LYS  12          3HZ       LYS  12  -6.750   0.642  13.047
   99    H    ILE  13           H        ILE  13  -6.782  -1.112   5.499
  100    HA   ILE  13           HA       ILE  13  -5.716  -3.671   6.371
  101    HB   ILE  13           HB       ILE  13  -6.830  -2.920   3.651
  102   1HG1  ILE  13          1HG1      ILE  13  -8.917  -4.248   4.727
  103   2HG1  ILE  13          2HG1      ILE  13  -8.364  -3.484   6.179
  104   1HG2  ILE  13          1HG2      ILE  13  -5.618  -5.046   3.655
  105   2HG2  ILE  13          2HG2      ILE  13  -6.590  -5.628   5.008
  106   3HG2  ILE  13          3HG2      ILE  13  -7.328  -5.329   3.438
  107   1HD1  ILE  13          1HD1      ILE  13  -8.982  -1.967   3.565
  108   2HD1  ILE  13          2HD1      ILE  13 -10.165  -2.221   4.836
  109   3HD1  ILE  13          3HD1      ILE  13  -8.749  -1.234   5.144
  110    H    SER  14           H        SER  14  -3.873  -4.512   5.669
  111    HA   SER  14           HA       SER  14  -2.350  -3.255   3.505
  112   1HB   SER  14          1HB       SER  14  -1.763  -2.125   5.829
  113   2HB   SER  14          2HB       SER  14  -1.083  -3.662   6.279
  114    HG   SER  14           HG       SER  14  -0.230  -2.128   4.040
  115    H    LYS  15           H        LYS  15  -3.598  -5.650   3.328
  116    HA   LYS  15           HA       LYS  15  -1.388  -7.640   3.675
  117   1HB   LYS  15          1HB       LYS  15  -4.404  -7.872   4.056
  118   2HB   LYS  15          2HB       LYS  15  -3.502  -9.252   3.518
  119   1HG   LYS  15          1HG       LYS  15  -3.624  -9.478   5.872
  120   2HG   LYS  15          2HG       LYS  15  -1.972  -9.090   5.485
  121   1HD   LYS  15          1HD       LYS  15  -2.377  -6.720   6.152
  122   2HD   LYS  15          2HD       LYS  15  -4.043  -7.091   6.541
  123   1HE   LYS  15          1HE       LYS  15  -3.269  -8.569   8.401
  124   2HE   LYS  15          2HE       LYS  15  -1.615  -8.461   7.810
  125   1HZ   LYS  15          1HZ       LYS  15  -1.695  -6.082   8.209
  126   2HZ   LYS  15          2HZ       LYS  15  -3.129  -6.289   9.128
  127   3HZ   LYS  15          3HZ       LYS  15  -1.619  -7.043   9.498
  128    H    THR  16           H        THR  16  -0.502  -8.288   1.890
  129    HA   THR  16           HA       THR  16  -1.609  -7.536  -0.610
  130    HB   THR  16           HB       THR  16   0.270  -8.261  -1.646
  131    HG1  THR  16           HG1      THR  16   0.888 -10.253  -0.910
  132   1HG2  THR  16          1HG2      THR  16   0.633  -6.280  -0.296
  133   2HG2  THR  16          2HG2      THR  16   1.140  -7.243   1.095
  134   3HG2  THR  16          3HG2      THR  16   2.110  -7.226  -0.355
  135    H    MET  17           H        MET  17  -2.794  -8.553  -1.897
  136    HA   MET  17           HA       MET  17  -4.636 -10.335  -1.134
  137   1HB   MET  17          1HB       MET  17  -5.466 -10.187  -3.394
  138   2HB   MET  17          2HB       MET  17  -4.624  -8.710  -3.109
  139   1HG   MET  17          1HG       MET  17  -2.661  -9.552  -4.420
  140   2HG   MET  17          2HG       MET  17  -3.452 -11.079  -4.660
  141   1HE   MET  17          1HE       MET  17  -4.991 -11.681  -6.359
  142   2HE   MET  17          2HE       MET  17  -6.303 -10.880  -5.498
  143   3HE   MET  17          3HE       MET  17  -6.089 -10.613  -7.245
  144    H    SER  18           H        SER  18  -1.498 -11.144  -2.511
  145    HA   SER  18           HA       SER  18  -2.194 -14.036  -2.321
  146   1HB   SER  18          1HB       SER  18  -0.509 -14.125  -4.388
  147   2HB   SER  18          2HB       SER  18  -2.144 -13.573  -4.656
  148    HG   SER  18           HG       SER  18  -0.055 -11.754  -4.114
  149    H    GLY  19           H        GLY  19  -0.881 -12.247  -0.250
  150   1HA   GLY  19          1HA       GLY  19   1.406 -14.053   0.026
  151   2HA   GLY  19          2HA       GLY  19   1.914 -12.452  -0.469
  152    H    LEU  20           H        LEU  20   1.694 -10.683   1.133
  153    HA   LEU  20           HA       LEU  20   1.629 -11.795   3.904
  154   1HB   LEU  20          1HB       LEU  20   3.887 -10.005   2.830
  155   2HB   LEU  20          2HB       LEU  20   3.869 -10.917   4.295
  156    HG   LEU  20           HG       LEU  20   3.693 -12.978   2.515
  157   1HD1  LEU  20          1HD1      LEU  20   3.772 -11.405   0.488
  158   2HD1  LEU  20          2HD1      LEU  20   5.361 -10.886   1.020
  159   3HD1  LEU  20          3HD1      LEU  20   5.100 -12.551   0.537
  160   1HD2  LEU  20          1HD2      LEU  20   5.416 -12.752   4.277
  161   2HD2  LEU  20          2HD2      LEU  20   6.147 -13.235   2.751
  162   3HD2  LEU  20          3HD2      LEU  20   6.280 -11.566   3.302
  163    H    GLU  21           H        GLU  21   2.323 -10.041   5.466
  164    HA   GLU  21           HA       GLU  21   0.579  -7.725   5.315
  165   1HB   GLU  21          1HB       GLU  21   1.232  -8.827   7.488
  166   2HB   GLU  21          2HB       GLU  21   2.913  -8.564   7.130
  167   1HG   GLU  21          1HG       GLU  21   2.603  -6.868   8.646
  168   2HG   GLU  21          2HG       GLU  21   2.303  -5.959   7.195
  169    H    CYS  22           H        CYS  22   1.192  -5.666   4.531
  170    HA   CYS  22           HA       CYS  22   3.645  -5.647   2.981
  171   1HB   CYS  22          1HB       CYS  22   1.674  -3.458   3.619
  172   2HB   CYS  22          2HB       CYS  22   3.093  -3.139   2.674
  173    H    GLN  23           H        GLN  23   5.233  -4.275   3.055
  174    HA   GLN  23           HA       GLN  23   6.441  -3.640   5.661
  175   1HB   GLN  23          1HB       GLN  23   7.765  -4.929   4.035
  176   2HB   GLN  23          2HB       GLN  23   7.337  -3.873   2.733
  177   1HG   GLN  23          1HG       GLN  23   8.761  -2.354   4.836
  178   2HG   GLN  23          2HG       GLN  23   9.675  -3.762   4.325
  179   1HE2  GLN  23          1HE2      GLN  23   8.663  -0.831   1.630
  180   2HE2  GLN  23          2HE2      GLN  23   7.776  -1.048   3.029
  181    H    ALA  24           H        ALA  24   6.521  -1.576   6.325
  182    HA   ALA  24           HA       ALA  24   4.733   0.245   5.245
  183   1HB   ALA  24          1HB       ALA  24   5.446   0.298   7.598
  184   2HB   ALA  24          2HB       ALA  24   7.087   0.750   7.138
  185   3HB   ALA  24          3HB       ALA  24   5.756   1.883   6.900
  186    H    TRP  25           H        TRP  25   4.987   2.388   4.432
  187    HA   TRP  25           HA       TRP  25   6.576   2.481   2.079
  188   1HB   TRP  25          1HB       TRP  25   4.910   4.644   3.494
  189   2HB   TRP  25          2HB       TRP  25   5.590   4.823   1.884
  190    HD1  TRP  25           HD1      TRP  25   2.605   3.291   3.698
  191    HE1  TRP  25           HE1      TRP  25   1.022   2.257   2.009
  192    HE3  TRP  25           HE3      TRP  25   5.593   3.532  -0.422
  193    HZ2  TRP  25           HZ2      TRP  25   1.040   1.631  -0.752
  194    HZ3  TRP  25           HZ3      TRP  25   4.740   2.721  -2.610
  195    HH2  TRP  25           HH2      TRP  25   2.455   1.768  -2.768
  196    H    ASP  26           H        ASP  26   7.559   3.075   5.262
  197    HA   ASP  26           HA       ASP  26   9.188   5.394   4.644
  198   1HB   ASP  26          1HB       ASP  26   9.987   5.007   7.080
  199   2HB   ASP  26          2HB       ASP  26   8.303   5.342   6.840
  200    H    SER  27           H        SER  27  11.387   3.944   6.394
  201    HA   SER  27           HA       SER  27  12.484   2.192   4.275
  202   1HB   SER  27          1HB       SER  27  13.416   4.532   3.949
  203   2HB   SER  27          2HB       SER  27  14.052   4.486   5.603
  204    HG   SER  27           HG       SER  27  15.666   3.800   4.060
  205    H    GLN  28           H        GLN  28  13.070   0.390   5.061
  206    HA   GLN  28           HA       GLN  28  14.014   0.154   7.806
  207   1HB   GLN  28          1HB       GLN  28  12.108  -1.393   8.408
  208   2HB   GLN  28          2HB       GLN  28  11.712   0.273   8.223
  209   1HG   GLN  28          1HG       GLN  28  10.560  -2.025   6.765
  210   2HG   GLN  28          2HG       GLN  28   9.884  -0.491   7.191
  211   1HE2  GLN  28          1HE2      GLN  28  10.030   0.928   4.050
  212   2HE2  GLN  28          2HE2      GLN  28   9.538   1.032   5.685
  213    H    SER  29           H        SER  29  12.478  -2.146   5.665
  214    HA   SER  29           HA       SER  29  14.529  -3.430   4.434
  215   1HB   SER  29          1HB       SER  29  14.658  -5.533   6.030
  216   2HB   SER  29          2HB       SER  29  15.466  -4.109   6.640
  217    HG   SER  29           HG       SER  29  12.765  -4.539   7.300
  218    HA   PRO  30           HA       PRO  30  14.408  -5.922   3.662
  219   1HB   PRO  30          1HB       PRO  30  13.016  -6.342   1.047
  220   2HB   PRO  30          2HB       PRO  30  13.864  -7.499   2.061
  221   1HG   PRO  30          1HG       PRO  30  11.133  -7.450   1.913
  222   2HG   PRO  30          2HG       PRO  30  11.933  -7.795   3.442
  223   1HD   PRO  30          1HD       PRO  30  10.776  -5.141   2.528
  224   2HD   PRO  30          2HD       PRO  30  10.594  -5.932   4.099
  225    H    HIS  31           H        HIS  31  12.940  -3.071   2.199
  226    HA   HIS  31           HA       HIS  31  15.579  -2.381   1.229
  227   1HB   HIS  31          1HB       HIS  31  14.901  -2.173  -1.237
  228   2HB   HIS  31          2HB       HIS  31  15.014  -3.816  -0.674
  229    HD1  HIS  31           HD1      HIS  31  11.796  -2.401   0.524
  230    HD2  HIS  31           HD2      HIS  31  13.318  -4.170  -2.980
  231    HE1  HIS  31           HE1      HIS  31   9.834  -3.173  -0.838
  232    H    ALA  32           H        ALA  32  15.923  -0.327   0.780
  233    HA   ALA  32           HA       ALA  32  13.887   1.604   1.563
  234   1HB   ALA  32          1HB       ALA  32  16.290   1.885   2.231
  235   2HB   ALA  32          2HB       ALA  32  16.766   1.995   0.538
  236   3HB   ALA  32          3HB       ALA  32  15.761   3.252   1.253
  237    H    HIS  33           H        HIS  33  12.504   0.920  -0.080
  238    HA   HIS  33           HA       HIS  33  12.983   1.329  -2.906
  239   1HB   HIS  33          1HB       HIS  33  10.439   0.813  -3.006
  240   2HB   HIS  33          2HB       HIS  33  11.354  -0.339  -2.055
  241    HD1  HIS  33           HD1      HIS  33   9.569   2.978  -1.265
  242    HD2  HIS  33           HD2      HIS  33  10.463  -0.750   0.434
  243    HE1  HIS  33           HE1      HIS  33   8.521   2.950   0.986
  244    H    GLY  34           H        GLY  34  11.108   2.572  -4.101
  245   1HA   GLY  34          1HA       GLY  34  11.455   5.419  -3.473
  246   2HA   GLY  34          2HA       GLY  34  10.672   4.714  -4.908
  247    H    TYR  36           H        TYR  36   9.264   6.721  -4.050
  248    HA   TYR  36           HA       TYR  36   7.239   7.415  -3.306
  249   1HB   TYR  36          1HB       TYR  36   6.440   4.563  -2.537
  250   2HB   TYR  36          2HB       TYR  36   5.382   5.895  -2.899
  251    HD1  TYR  36           HD1      TYR  36   5.322   6.753  -5.366
  252    HD2  TYR  36           HD2      TYR  36   7.218   3.141  -4.156
  253    HE1  TYR  36           HE1      TYR  36   5.249   5.921  -7.689
  254    HE2  TYR  36           HE2      TYR  36   7.149   2.296  -6.406
  255    HH   TYR  36           HH       TYR  36   6.727   2.864  -8.661
  256    H    ILE  37           H        ILE  37   9.055   8.028  -1.764
  257    HA   ILE  37           HA       ILE  37   8.837   6.811   0.904
  258    HB   ILE  37           HB       ILE  37  10.759   8.883  -0.216
  259   1HG1  ILE  37          1HG1      ILE  37  11.177   5.905   0.322
  260   2HG1  ILE  37          2HG1      ILE  37  10.952   6.595  -1.255
  261   1HG2  ILE  37          1HG2      ILE  37  10.537   9.098   2.258
  262   2HG2  ILE  37          2HG2      ILE  37  10.892   7.386   2.449
  263   3HG2  ILE  37          3HG2      ILE  37  12.116   8.495   1.832
  264   1HD1  ILE  37          1HD1      ILE  37  13.036   7.988  -0.957
  265   2HD1  ILE  37          2HD1      ILE  37  13.331   7.148   0.569
  266   3HD1  ILE  37          3HD1      ILE  37  13.318   6.248  -0.936
  267    HA   PRO  38           HA       PRO  38   5.794   9.961   1.944
  268   1HB   PRO  38          1HB       PRO  38   6.837   9.561   4.758
  269   2HB   PRO  38          2HB       PRO  38   5.174   9.534   4.197
  270   1HG   PRO  38          1HG       PRO  38   6.621   7.240   4.772
  271   2HG   PRO  38          2HG       PRO  38   5.374   7.264   3.547
  272   1HD   PRO  38          1HD       PRO  38   8.316   7.160   3.137
  273   2HD   PRO  38          2HD       PRO  38   6.994   6.690   2.041
  274    H    SER  39           H        SER  39   9.143  10.203   3.126
  275    HA   SER  39           HA       SER  39   9.094  12.733   4.179
  276   1HB   SER  39          1HB       SER  39  11.428  11.567   2.578
  277   2HB   SER  39          2HB       SER  39  11.487  12.527   4.068
  278    HG   SER  39           HG       SER  39  11.706  10.258   4.557
  279    H    LYS  40           H        LYS  40   8.712  11.848   0.878
  280    HA   LYS  40           HA       LYS  40   9.552  14.545  -0.087
  281   1HB   LYS  40          1HB       LYS  40   8.961  11.920  -1.571
  282   2HB   LYS  40          2HB       LYS  40   9.462  13.406  -2.333
  283   1HG   LYS  40          1HG       LYS  40  11.590  13.347  -0.948
  284   2HG   LYS  40          2HG       LYS  40  11.108  11.764  -0.345
  285   1HD   LYS  40          1HD       LYS  40  11.096  10.876  -2.676
  286   2HD   LYS  40          2HD       LYS  40  11.534  12.456  -3.286
  287   1HE   LYS  40          1HE       LYS  40  13.681  12.360  -1.937
  288   2HE   LYS  40          2HE       LYS  40  13.257  10.733  -1.424
  289   1HZ   LYS  40          1HZ       LYS  40  13.703  11.611  -4.207
  290   2HZ   LYS  40          2HZ       LYS  40  14.780  10.728  -3.244
  291   3HZ   LYS  40          3HZ       LYS  40  13.307  10.038  -3.718
  292    H    PHE  41           H        PHE  41   6.799  13.180   1.127
  293    HA   PHE  41           HA       PHE  41   5.100  14.543  -0.915
  294   1HB   PHE  41          1HB       PHE  41   4.484  11.998   0.631
  295   2HB   PHE  41          2HB       PHE  41   3.362  12.847  -0.394
  296    HD1  PHE  41           HD1      PHE  41   3.900  13.189  -2.850
  297    HD2  PHE  41           HD2      PHE  41   6.153  10.566  -0.354
  298    HE1  PHE  41           HE1      PHE  41   4.686  11.970  -4.835
  299    HE2  PHE  41           HE2      PHE  41   6.966   9.381  -2.320
  300    HZ   PHE  41           HZ       PHE  41   6.239  10.069  -4.591
  301    HA   PRO  42           HA       PRO  42   3.233  16.454   2.768
  302   1HB   PRO  42          1HB       PRO  42   2.408  18.752   1.480
  303   2HB   PRO  42          2HB       PRO  42   4.019  18.570   2.153
  304   1HG   PRO  42          1HG       PRO  42   3.201  18.245  -0.731
  305   2HG   PRO  42          2HG       PRO  42   4.603  19.099  -0.100
  306   1HD   PRO  42          1HD       PRO  42   4.686  16.517  -1.105
  307   2HD   PRO  42          2HD       PRO  42   5.823  17.058   0.139
  308    H    ASN  43           H        ASN  43   2.558  15.160  -0.262
  309    HA   ASN  43           HA       ASN  43  -0.249  15.669  -0.436
  310   1HB   ASN  43          1HB       ASN  43   1.185  14.974  -2.406
  311   2HB   ASN  43          2HB       ASN  43   1.500  13.429  -1.644
  312   1HD2  ASN  43          1HD2      ASN  43  -1.930  14.060  -3.705
  313   2HD2  ASN  43          2HD2      ASN  43  -0.770  15.324  -3.505
  314    H    LYS  44           H        LYS  44  -1.975  14.033  -0.026
  315    HA   LYS  44           HA       LYS  44  -1.352  12.494   2.404
  316   1HB   LYS  44          1HB       LYS  44  -3.310  14.154   2.030
  317   2HB   LYS  44          2HB       LYS  44  -4.081  12.933   1.079
  318   1HG   LYS  44          1HG       LYS  44  -3.195  12.637   4.009
  319   2HG   LYS  44          2HG       LYS  44  -4.788  13.136   3.533
  320   1HD   LYS  44          1HD       LYS  44  -3.567  10.411   2.931
  321   2HD   LYS  44          2HD       LYS  44  -4.696  10.745   4.193
  322   1HE   LYS  44          1HE       LYS  44  -6.502  10.589   2.812
  323   2HE   LYS  44          2HE       LYS  44  -5.818  11.693   1.638
  324   1HZ   LYS  44          1HZ       LYS  44  -4.500   9.873   0.782
  325   2HZ   LYS  44          2HZ       LYS  44  -5.253   8.814   1.872
  326   3HZ   LYS  44          3HZ       LYS  44  -6.193   9.555   0.703
  327    H    ASN  45           H        ASN  45   0.041  11.305   0.721
  328    HA   ASN  45           HA       ASN  45  -1.554   9.080  -0.430
  329   1HB   ASN  45          1HB       ASN  45   0.275   8.531  -1.925
  330   2HB   ASN  45          2HB       ASN  45  -0.385  10.126  -2.211
  331   1HD2  ASN  45          1HD2      ASN  45   3.223  10.446  -2.607
  332   2HD2  ASN  45          2HD2      ASN  45   1.867   9.813  -3.448
  333    H    LEU  46           H        LEU  46   1.888   8.798   0.384
  334    HA   LEU  46           HA       LEU  46   1.400   6.245   1.434
  335   1HB   LEU  46          1HB       LEU  46   3.827   8.030   1.932
  336   2HB   LEU  46          2HB       LEU  46   3.743   6.327   2.243
  337    HG   LEU  46           HG       LEU  46   4.644   6.021   0.261
  338   1HD1  LEU  46          1HD1      LEU  46   2.316   5.274  -0.312
  339   2HD1  LEU  46          2HD1      LEU  46   2.038   6.834  -1.085
  340   3HD1  LEU  46          3HD1      LEU  46   3.280   5.757  -1.689
  341   1HD2  LEU  46          1HD2      LEU  46   3.852   8.808  -0.604
  342   2HD2  LEU  46          2HD2      LEU  46   5.401   8.282   0.046
  343   3HD2  LEU  46          3HD2      LEU  46   4.870   7.709  -1.527
  344    H    LYS  47           H        LYS  47   2.248   5.484   3.588
  345    HA   LYS  47           HA       LYS  47   1.613   7.158   5.783
  346   1HB   LYS  47          1HB       LYS  47  -0.607   6.162   4.571
  347   2HB   LYS  47          2HB       LYS  47  -0.352   4.784   5.518
  348   1HG   LYS  47          1HG       LYS  47  -0.848   5.998   7.527
  349   2HG   LYS  47          2HG       LYS  47  -0.214   7.499   6.914
  350   1HD   LYS  47          1HD       LYS  47  -2.776   6.273   5.842
  351   2HD   LYS  47          2HD       LYS  47  -2.745   7.351   7.196
  352   1HE   LYS  47          1HE       LYS  47  -3.303   8.715   5.320
  353   2HE   LYS  47          2HE       LYS  47  -1.685   9.161   5.809
  354   1HZ   LYS  47          1HZ       LYS  47  -2.428   7.544   3.430
  355   2HZ   LYS  47          2HZ       LYS  47  -1.953   9.107   3.455
  356   3HZ   LYS  47          3HZ       LYS  47  -0.820   7.965   3.865
  357    H    LYS  48           H        LYS  48   0.839   4.444   7.210
  358    HA   LYS  48           HA       LYS  48   3.629   3.624   7.594
  359   1HB   LYS  48          1HB       LYS  48   1.087   2.366   8.784
  360   2HB   LYS  48          2HB       LYS  48   2.702   1.831   9.121
  361   1HG   LYS  48          1HG       LYS  48   1.508   4.526   9.835
  362   2HG   LYS  48          2HG       LYS  48   2.034   3.272  10.917
  363   1HD   LYS  48          1HD       LYS  48   3.766   5.096   9.196
  364   2HD   LYS  48          2HD       LYS  48   3.678   5.073  10.926
  365   1HE   LYS  48          1HE       LYS  48   4.862   2.911  11.051
  366   2HE   LYS  48          2HE       LYS  48   4.764   2.692   9.316
  367   1HZ   LYS  48          1HZ       LYS  48   6.158   4.613   8.999
  368   2HZ   LYS  48          2HZ       LYS  48   6.377   4.753  10.682
  369   3HZ   LYS  48          3HZ       LYS  48   6.900   3.409   9.767
  370    H    ASN  49           H        ASN  49   1.263   0.965   7.191
  371    HA   ASN  49           HA       ASN  49   2.747   0.342   4.657
  372   1HB   ASN  49          1HB       ASN  49   2.598  -2.012   5.231
  373   2HB   ASN  49          2HB       ASN  49   3.397  -1.157   6.541
  374   1HD2  ASN  49          1HD2      ASN  49   0.925  -3.687   7.812
  375   2HD2  ASN  49          2HD2      ASN  49   2.296  -3.668   6.799
  376    H    TYR  50           H        TYR  50  -0.129   1.202   5.906
  377    HA   TYR  50           HA       TYR  50  -2.052  -0.220   4.530
  378   1HB   TYR  50          1HB       TYR  50  -2.089   2.836   4.780
  379   2HB   TYR  50          2HB       TYR  50  -3.495   1.814   4.623
  380    HD1  TYR  50           HD1      TYR  50  -2.970  -0.391   6.540
  381    HD2  TYR  50           HD2      TYR  50  -2.204   3.806   6.899
  382    HE1  TYR  50           HE1      TYR  50  -3.042  -0.588   8.971
  383    HE2  TYR  50           HE2      TYR  50  -2.319   3.610   9.341
  384    HH   TYR  50           HH       TYR  50  -1.934   1.705  11.072
  385    H    CYS  51           H        CYS  51  -2.678  -0.574   2.528
  386    HA   CYS  51           HA       CYS  51  -0.923   0.001   0.461
  387   1HB   CYS  51          1HB       CYS  51  -3.870  -0.698   0.037
  388   2HB   CYS  51          2HB       CYS  51  -2.518  -1.207  -0.926
  389    H    ARG  52           H        ARG  52  -1.024   1.308  -1.393
  390    HA   ARG  52           HA       ARG  52  -3.036   3.457  -1.428
  391   1HB   ARG  52          1HB       ARG  52   0.005   3.939  -1.650
  392   2HB   ARG  52          2HB       ARG  52  -1.205   5.176  -1.881
  393   1HG   ARG  52          1HG       ARG  52  -0.680   3.784   0.743
  394   2HG   ARG  52          2HG       ARG  52  -0.164   5.379   0.280
  395   1HD   ARG  52          1HD       ARG  52  -3.064   4.504   0.574
  396   2HD   ARG  52          2HD       ARG  52  -2.176   5.513   1.683
  397    HE   ARG  52           HE       ARG  52  -2.152   7.264   0.297
  398   1HH1  ARG  52          1HH1      ARG  52  -4.462   4.819  -0.687
  399   2HH1  ARG  52          2HH1      ARG  52  -4.923   5.593  -2.190
  400   1HH2  ARG  52          1HH2      ARG  52  -3.108   8.516  -1.561
  401   2HH2  ARG  52          2HH2      ARG  52  -4.318   7.725  -2.521
  402    H    ASN  53           H        ASN  53  -1.968   4.863  -3.643
  403    HA   ASN  53           HA       ASN  53  -1.387   2.816  -5.592
  404   1HB   ASN  53          1HB       ASN  53  -4.157   3.513  -5.141
  405   2HB   ASN  53          2HB       ASN  53  -3.770   4.381  -6.626
  406   1HD2  ASN  53          1HD2      ASN  53  -4.885   1.020  -7.553
  407   2HD2  ASN  53          2HD2      ASN  53  -5.576   2.107  -6.413
  408    HA   PRO  54           HA       PRO  54   0.575   7.000  -5.979
  409   1HB   PRO  54          1HB       PRO  54   2.944   5.251  -6.638
  410   2HB   PRO  54          2HB       PRO  54   2.901   6.690  -5.642
  411   1HG   PRO  54          1HG       PRO  54   3.057   4.214  -4.508
  412   2HG   PRO  54          2HG       PRO  54   2.092   5.488  -3.770
  413   1HD   PRO  54          1HD       PRO  54   1.089   3.153  -5.390
  414   2HD   PRO  54          2HD       PRO  54   0.402   3.931  -3.969
  415    H    ASP  55           H        ASP  55   0.880   4.151  -8.113
  416    HA   ASP  55           HA       ASP  55   1.173   5.917 -10.467
  417   1HB   ASP  55          1HB       ASP  55   1.889   3.842 -11.604
  418   2HB   ASP  55          2HB       ASP  55   2.827   4.045 -10.141
  419    H    ARG  56           H        ARG  56  -1.133   4.626  -8.598
  420    HA   ARG  56           HA       ARG  56  -3.064   3.869  -8.654
  421   1HB   ARG  56          1HB       ARG  56  -4.728   5.148  -9.420
  422   2HB   ARG  56          2HB       ARG  56  -3.432   6.211  -9.070
  423   1HG   ARG  56          1HG       ARG  56  -3.714   5.309 -11.951
  424   2HG   ARG  56          2HG       ARG  56  -4.815   6.494 -11.321
  425   1HD   ARG  56          1HD       ARG  56  -2.986   8.031 -10.734
  426   2HD   ARG  56          2HD       ARG  56  -1.763   6.895 -11.263
  427    HE   ARG  56           HE       ARG  56  -3.392   8.623 -12.827
  428   1HH1  ARG  56          1HH1      ARG  56  -1.656   5.517 -12.870
  429   2HH1  ARG  56          2HH1      ARG  56  -1.474   5.453 -14.570
  430   1HH2  ARG  56          1HH2      ARG  56  -3.101   8.551 -15.140
  431   2HH2  ARG  56          2HH2      ARG  56  -2.290   7.239 -15.893
  432    H    GLU  57           H        GLU  57  -2.047   2.021  -9.150
  433    HA   GLU  57           HA       GLU  57  -2.496   0.445 -11.488
  434   1HB   GLU  57          1HB       GLU  57  -0.745  -0.008  -9.755
  435   2HB   GLU  57          2HB       GLU  57  -1.947  -0.035  -8.509
  436   1HG   GLU  57          1HG       GLU  57  -1.191  -2.245  -8.824
  437   2HG   GLU  57          2HG       GLU  57  -2.860  -2.197  -9.300
  438    H    LEU  58           H        LEU  58  -3.969  -1.549 -11.262
  439    HA   LEU  58           HA       LEU  58  -6.642  -0.668 -11.031
  440   1HB   LEU  58          1HB       LEU  58  -5.941  -2.609 -12.403
  441   2HB   LEU  58          2HB       LEU  58  -5.475  -3.505 -10.989
  442    HG   LEU  58           HG       LEU  58  -7.823  -3.579 -10.217
  443   1HD1  LEU  58          1HD1      LEU  58  -8.487  -2.157 -12.841
  444   2HD1  LEU  58          2HD1      LEU  58  -9.668  -2.898 -11.765
  445   3HD1  LEU  58          3HD1      LEU  58  -8.739  -1.515 -11.217
  446   1HD2  LEU  58          1HD2      LEU  58  -6.922  -5.425 -11.595
  447   2HD2  LEU  58          2HD2      LEU  58  -8.638  -5.192 -11.903
  448   3HD2  LEU  58          3HD2      LEU  58  -7.449  -4.606 -13.063
  449    H    ARG  59           H        ARG  59  -5.149  -3.132  -8.962
  450    HA   ARG  59           HA       ARG  59  -6.997  -2.447  -6.766
  451   1HB   ARG  59          1HB       ARG  59  -6.550  -4.826  -7.544
  452   2HB   ARG  59          2HB       ARG  59  -4.885  -4.626  -7.113
  453   1HG   ARG  59          1HG       ARG  59  -5.499  -5.718  -5.253
  454   2HG   ARG  59          2HG       ARG  59  -5.920  -4.165  -4.659
  455   1HD   ARG  59          1HD       ARG  59  -7.894  -6.106  -6.055
  456   2HD   ARG  59          2HD       ARG  59  -7.546  -6.151  -4.335
  457    HE   ARG  59           HE       ARG  59  -8.510  -3.631  -5.547
  458   1HH1  ARG  59          1HH1      ARG  59  -9.348  -6.533  -3.479
  459   2HH1  ARG  59          2HH1      ARG  59 -10.490  -5.605  -2.603
  460   1HH2  ARG  59          1HH2      ARG  59 -10.285  -2.652  -4.408
  461   2HH2  ARG  59          2HH2      ARG  59 -11.012  -3.521  -3.083
  462    HA   PRO  61           HA       PRO  61  -3.714   0.151  -5.026
  463   1HB   PRO  61          1HB       PRO  61  -4.440   0.266  -2.358
  464   2HB   PRO  61          2HB       PRO  61  -5.350   1.090  -3.615
  465   1HG   PRO  61          1HG       PRO  61  -5.885  -1.642  -2.476
  466   2HG   PRO  61          2HG       PRO  61  -7.058  -0.318  -2.587
  467   1HD   PRO  61          1HD       PRO  61  -6.935  -2.368  -4.398
  468   2HD   PRO  61          2HD       PRO  61  -7.232  -0.753  -5.024
  469    H    TRP  62           H        TRP  62  -1.720  -0.171  -4.077
  470    HA   TRP  62           HA       TRP  62  -1.219  -2.922  -3.005
  471   1HB   TRP  62          1HB       TRP  62   0.781  -3.037  -4.546
  472   2HB   TRP  62          2HB       TRP  62  -0.687  -2.788  -5.461
  473    HD1  TRP  62           HD1      TRP  62  -1.059  -0.339  -6.606
  474    HE1  TRP  62           HE1      TRP  62   0.608   1.516  -7.180
  475    HE3  TRP  62           HE3      TRP  62   2.858  -1.897  -3.779
  476    HZ2  TRP  62           HZ2      TRP  62   3.231   2.283  -6.370
  477    HZ3  TRP  62           HZ3      TRP  62   4.930  -0.572  -3.658
  478    HH2  TRP  62           HH2      TRP  62   5.119   1.527  -4.951
  479    H    CYS  63           H        CYS  63   1.077  -3.128  -2.262
  480    HA   CYS  63           HA       CYS  63   2.510  -0.808  -1.423
  481   1HB   CYS  63          1HB       CYS  63   2.497  -1.504   1.101
  482   2HB   CYS  63          2HB       CYS  63   1.167  -0.589   0.498
  483    H    PHE  64           H        PHE  64   4.493  -1.543  -0.145
  484    HA   PHE  64           HA       PHE  64   5.619  -3.689  -1.738
  485   1HB   PHE  64          1HB       PHE  64   6.767  -1.965   0.532
  486   2HB   PHE  64          2HB       PHE  64   7.705  -3.132  -0.376
  487    HD1  PHE  64           HD1      PHE  64   7.711  -2.931  -2.951
  488    HD2  PHE  64           HD2      PHE  64   6.589   0.270  -0.345
  489    HE1  PHE  64           HE1      PHE  64   8.107  -1.291  -4.771
  490    HE2  PHE  64           HE2      PHE  64   7.036   1.887  -2.157
  491    HZ   PHE  64           HZ       PHE  64   7.814   1.073  -4.368
  492    H    THR  65           H        THR  65   6.440  -5.705  -0.918
  493    HA   THR  65           HA       THR  65   4.800  -6.566   1.391
  494    HB   THR  65           HB       THR  65   4.829  -8.660   0.600
  495    HG1  THR  65           HG1      THR  65   7.358  -8.327  -0.582
  496   1HG2  THR  65          1HG2      THR  65   4.022  -7.192  -1.307
  497   2HG2  THR  65          2HG2      THR  65   5.576  -7.396  -2.081
  498   3HG2  THR  65          3HG2      THR  65   4.561  -8.798  -1.769
  499    H    THR  66           H        THR  66   5.872  -8.275   2.860
  500    HA   THR  66           HA       THR  66   8.353  -7.091   3.895
  501    HB   THR  66           HB       THR  66   7.741  -9.023   5.665
  502    HG1  THR  66           HG1      THR  66   5.152  -8.539   4.740
  503   1HG2  THR  66          1HG2      THR  66   6.184  -6.395   5.459
  504   2HG2  THR  66          2HG2      THR  66   6.273  -7.424   6.891
  505   3HG2  THR  66          3HG2      THR  66   7.723  -6.656   6.259
  506    H    ASP  67           H        ASP  67   7.490  -9.477   1.626
  507    HA   ASP  67           HA       ASP  67   9.435 -11.441   2.421
  508   1HB   ASP  67          1HB       ASP  67   7.461 -12.107   1.129
  509   2HB   ASP  67          2HB       ASP  67   7.905 -11.032  -0.183
  510    HA   PRO  68           HA       PRO  68  12.878  -9.029   0.763
  511   1HB   PRO  68          1HB       PRO  68  14.240 -11.731   0.713
  512   2HB   PRO  68          2HB       PRO  68  14.848 -10.216   1.367
  513   1HG   PRO  68          1HG       PRO  68  13.872 -12.161   3.018
  514   2HG   PRO  68          2HG       PRO  68  13.521 -10.466   3.341
  515   1HD   PRO  68          1HD       PRO  68  11.668 -12.507   2.088
  516   2HD   PRO  68          2HD       PRO  68  11.328 -11.207   3.255
  517    H    ASN  69           H        ASN  69  11.202 -11.319  -1.089
  518    HA   ASN  69           HA       ASN  69  12.903 -10.643  -3.465
  519   1HB   ASN  69          1HB       ASN  69  11.305 -13.217  -2.943
  520   2HB   ASN  69          2HB       ASN  69  12.057 -12.806  -4.468
  521   1HD2  ASN  69          1HD2      ASN  69  15.304 -12.995  -2.304
  522   2HD2  ASN  69          2HD2      ASN  69  14.369 -11.556  -2.489
  523    H    LYS  70           H        LYS  70   9.681 -10.717  -2.049
  524    HA   LYS  70           HA       LYS  70   8.600  -9.896  -4.682
  525   1HB   LYS  70          1HB       LYS  70   7.381 -11.591  -3.177
  526   2HB   LYS  70          2HB       LYS  70   7.094 -10.317  -2.063
  527   1HG   LYS  70          1HG       LYS  70   5.123 -10.330  -3.337
  528   2HG   LYS  70          2HG       LYS  70   6.001  -8.996  -4.030
  529   1HD   LYS  70          1HD       LYS  70   6.898 -10.874  -5.741
  530   2HD   LYS  70          2HD       LYS  70   5.560 -11.794  -5.123
  531   1HE   LYS  70          1HE       LYS  70   5.528  -9.284  -6.821
  532   2HE   LYS  70          2HE       LYS  70   4.617 -10.774  -7.018
  533   1HZ   LYS  70          1HZ       LYS  70   3.441 -10.024  -4.891
  534   2HZ   LYS  70          2HZ       LYS  70   4.141  -8.509  -5.234
  535   3HZ   LYS  70          3HZ       LYS  70   3.092  -9.219  -6.339
  536    H    ARG  71           H        ARG  71   9.175  -7.913  -5.077
  537    HA   ARG  71           HA       ARG  71   9.450  -5.810  -3.188
  538   1HB   ARG  71          1HB       ARG  71  10.575  -5.688  -5.305
  539   2HB   ARG  71          2HB       ARG  71   9.114  -5.819  -6.226
  540   1HG   ARG  71          1HG       ARG  71   8.421  -3.531  -5.508
  541   2HG   ARG  71          2HG       ARG  71   9.812  -3.402  -4.468
  542   1HD   ARG  71          1HD       ARG  71  11.320  -3.240  -6.305
  543   2HD   ARG  71          2HD       ARG  71  10.170  -3.948  -7.454
  544    HE   ARG  71           HE       ARG  71   8.778  -1.797  -6.875
  545   1HH1  ARG  71          1HH1      ARG  71  12.227  -2.074  -7.496
  546   2HH1  ARG  71          2HH1      ARG  71  12.360  -0.531  -8.251
  547   1HH2  ARG  71          1HH2      ARG  71   8.898   0.181  -7.864
  548   2HH2  ARG  71          2HH2      ARG  71  10.387   0.830  -8.420
  549    H    TRP  72           H        TRP  72   7.042  -5.407  -5.794
  550    HA   TRP  72           HA       TRP  72   5.230  -4.251  -3.772
  551   1HB   TRP  72          1HB       TRP  72   4.099  -3.164  -5.616
  552   2HB   TRP  72          2HB       TRP  72   5.787  -2.810  -5.760
  553    HD1  TRP  72           HD1      TRP  72   7.226  -4.266  -7.708
  554    HE1  TRP  72           HE1      TRP  72   6.402  -4.905 -10.030
  555    HE3  TRP  72           HE3      TRP  72   2.228  -3.947  -6.873
  556    HZ2  TRP  72           HZ2      TRP  72   3.887  -5.174 -11.370
  557    HZ3  TRP  72           HZ3      TRP  72   0.629  -4.328  -8.737
  558    HH2  TRP  72           HH2      TRP  72   1.453  -4.875 -10.969
  559    H    GLU  73           H        GLU  73   2.922  -4.681  -3.808
  560    HA   GLU  73           HA       GLU  73   1.972  -6.726  -5.522
  561   1HB   GLU  73          1HB       GLU  73   3.194  -8.095  -3.628
  562   2HB   GLU  73          2HB       GLU  73   1.995  -7.505  -2.564
  563   1HG   GLU  73          1HG       GLU  73   0.180  -8.568  -3.898
  564   2HG   GLU  73          2HG       GLU  73   1.282  -8.988  -5.175
  565    H    LEU  74           H        LEU  74  -0.140  -6.934  -5.588
  566    HA   LEU  74           HA       LEU  74  -1.695  -4.663  -4.836
  567   1HB   LEU  74          1HB       LEU  74  -2.651  -7.430  -5.772
  568   2HB   LEU  74          2HB       LEU  74  -3.547  -5.950  -5.875
  569    HG   LEU  74           HG       LEU  74  -1.038  -6.605  -7.464
  570   1HD1  LEU  74          1HD1      LEU  74  -3.051  -7.845  -8.197
  571   2HD1  LEU  74          2HD1      LEU  74  -3.947  -6.339  -8.346
  572   3HD1  LEU  74          3HD1      LEU  74  -2.574  -6.654  -9.401
  573   1HD2  LEU  74          1HD2      LEU  74  -2.727  -4.057  -7.491
  574   2HD2  LEU  74          2HD2      LEU  74  -1.017  -4.195  -7.105
  575   3HD2  LEU  74          3HD2      LEU  74  -1.579  -4.498  -8.740
  576    H    CYS  75           H        CYS  75  -3.094  -4.404  -3.178
  577    HA   CYS  75           HA       CYS  75  -3.200  -6.399  -1.010
  578   1HB   CYS  75          1HB       CYS  75  -4.104  -3.483  -1.271
  579   2HB   CYS  75          2HB       CYS  75  -4.334  -4.435   0.177
  580    H    ASP  76           H        ASP  76  -5.119  -7.334  -0.272
  581    HA   ASP  76           HA       ASP  76  -7.382  -6.796  -2.145
  582   1HB   ASP  76          1HB       ASP  76  -6.941  -9.232  -1.660
  583   2HB   ASP  76          2HB       ASP  76  -7.454  -8.959  -0.010
  584    H    ILE  77           H        ILE  77  -8.376  -5.156  -1.682
  585    HA   ILE  77           HA       ILE  77  -8.872  -4.259   1.100
  586    HB   ILE  77           HB       ILE  77  -8.822  -2.826  -1.593
  587   1HG1  ILE  77          1HG1      ILE  77  -6.594  -3.339  -1.062
  588   2HG1  ILE  77          2HG1      ILE  77  -6.828  -1.652  -0.659
  589   1HG2  ILE  77          1HG2      ILE  77 -10.400  -1.654  -0.114
  590   2HG2  ILE  77          2HG2      ILE  77  -9.136  -1.477   1.109
  591   3HG2  ILE  77          3HG2      ILE  77  -8.945  -0.725  -0.471
  592   1HD1  ILE  77          1HD1      ILE  77  -7.090  -2.213   1.728
  593   2HD1  ILE  77          2HD1      ILE  77  -6.666  -3.897   1.382
  594   3HD1  ILE  77          3HD1      ILE  77  -5.500  -2.609   1.099
  595    HA   PRO  78           HA       PRO  78 -12.991  -5.571   0.553
  596   1HB   PRO  78          1HB       PRO  78 -14.313  -4.145   2.553
  597   2HB   PRO  78          2HB       PRO  78 -13.217  -5.489   2.833
  598   1HG   PRO  78          1HG       PRO  78 -12.576  -2.551   2.953
  599   2HG   PRO  78          2HG       PRO  78 -12.130  -3.785   4.128
  600   1HD   PRO  78          1HD       PRO  78 -10.393  -2.892   2.203
  601   2HD   PRO  78          2HD       PRO  78 -10.369  -4.595   2.705
  602    H    ARG  79           H        ARG  79 -14.465  -5.272  -0.791
  603    HA   ARG  79           HA       ARG  79 -14.898  -2.794  -2.160
  604   1HB   ARG  79          1HB       ARG  79 -15.179  -5.396  -2.873
  605   2HB   ARG  79          2HB       ARG  79 -16.780  -5.221  -2.240
  606   1HG   ARG  79          1HG       ARG  79 -17.093  -4.707  -4.506
  607   2HG   ARG  79          2HG       ARG  79 -16.919  -3.108  -3.832
  608   1HD   ARG  79          1HD       ARG  79 -14.360  -3.336  -4.369
  609   2HD   ARG  79          2HD       ARG  79 -14.779  -4.740  -5.342
  610    HE   ARG  79           HE       ARG  79 -15.226  -1.938  -5.858
  611   1HH1  ARG  79          1HH1      ARG  79 -16.365  -5.150  -6.670
  612   2HH1  ARG  79          2HH1      ARG  79 -16.986  -4.715  -8.219
  613   1HH2  ARG  79          1HH2      ARG  79 -15.983  -1.316  -7.786
  614   2HH2  ARG  79          2HH2      ARG  79 -16.781  -2.383  -8.900
  615    H    CYS  80           H        CYS  80 -16.548  -1.271  -1.806
  616    HA   CYS  80           HA       CYS  80 -18.063  -1.496   0.676
  617   1HB   CYS  80          1HB       CYS  80 -18.500   0.394  -1.697
  618   2HB   CYS  80          2HB       CYS  80 -19.349   0.507  -0.174
  619    H    THR  81           H        THR  81 -19.547  -3.073   0.869
  620    HA   THR  81           HA       THR  81 -21.640  -3.301  -1.238
  621    HB   THR  81           HB       THR  81 -21.723  -5.756  -0.552
  622    HG1  THR  81           HG1      THR  81 -20.579  -5.297   1.495
  623   1HG2  THR  81          1HG2      THR  81 -20.393  -5.089  -2.571
  624   2HG2  THR  81          2HG2      THR  81 -18.967  -4.894  -1.556
  625   3HG2  THR  81          3HG2      THR  81 -19.696  -6.482  -1.743
  626    H1   AMH  84           H1       AMH  84   5.969  -1.173  -9.684
  627   1H2   AMH  84          1H2       AMH  84   5.859   1.234 -10.502
  628   2H2   AMH  84          2H2       AMH  84   4.663   1.548  -9.221
  629   1H3   AMH  84          1H3       AMH  84   3.664   1.025 -11.518
  630   2H3   AMH  84          2H3       AMH  84   4.462  -0.538 -11.391
  631    H4   AMH  84           H4       AMH  84   2.260   0.513  -9.532
  632   1H5   AMH  84          1H5       AMH  84   2.443  -1.614  -8.371
  633   2H5   AMH  84          2H5       AMH  84   3.595  -2.194  -9.566
  634   1H6   AMH  84          1H6       AMH  84   4.808  -1.634  -7.516
  635   2H6   AMH  84          2H6       AMH  84   4.185  -0.023  -7.533
  636   1H7   AMH  84          1H7       AMH  84   1.090  -1.654 -10.456
  637   2H7   AMH  84          2H7       AMH  84   1.170  -0.223 -11.511
  638   1HN   AMH  84          1HN       AMH  84   3.243  -2.282 -11.614
  639   2HN   AMH  84          2HN       AMH  84   1.842  -2.449 -12.427
  640   3HN   AMH  84          3HN       AMH  84   2.814  -1.183 -12.745
  Start of MODEL    2
    1   1H    THR  -4          1H        THR  -4 -13.281   7.863   7.099
    2   2H    THR  -4          2H        THR  -4 -13.672   7.379   8.641
    3   3H    THR  -4          3H        THR  -4 -13.758   8.976   8.220
    4    HA   THR  -4           HA       THR  -4 -11.611   9.320   8.404
    5    HB   THR  -4           HB       THR  -4 -10.920   7.507  10.323
    6    HG1  THR  -4           HG1      THR  -4 -12.899   6.389  10.910
    7   1HG2  THR  -4          1HG2      THR  -4 -11.756   9.846  10.820
    8   2HG2  THR  -4          2HG2      THR  -4 -13.418   9.282  10.671
    9   3HG2  THR  -4          3HG2      THR  -4 -12.387   8.679  11.965
   10    H    SER  -3           H        SER  -3 -11.406   5.790   8.833
   11    HA   SER  -3           HA       SER  -3  -9.029   5.652   7.267
   12   1HB   SER  -3          1HB       SER  -3 -10.755   3.269   8.117
   13   2HB   SER  -3          2HB       SER  -3  -8.996   3.362   8.007
   14    HG   SER  -3           HG       SER  -3  -9.754   3.592  10.207
   15    H    GLU  -2           H        GLU  -2 -12.385   4.885   6.792
   16    HA   GLU  -2           HA       GLU  -2 -13.670   4.194   5.169
   17   1HB   GLU  -2          1HB       GLU  -2 -11.727   5.046   3.015
   18   2HB   GLU  -2          2HB       GLU  -2 -13.455   5.205   3.061
   19   1HG   GLU  -2          1HG       GLU  -2 -11.343   6.902   4.469
   20   2HG   GLU  -2          2HG       GLU  -2 -12.457   7.403   3.242
   21    H    GLU  -1           H        GLU  -1 -12.956   2.154   6.140
   22    HA   GLU  -1           HA       GLU  -1 -11.201   0.459   4.614
   23   1HB   GLU  -1          1HB       GLU  -1 -12.555   0.369   7.216
   24   2HB   GLU  -1          2HB       GLU  -1 -12.729  -1.162   6.448
   25   1HG   GLU  -1          1HG       GLU  -1 -10.743  -1.303   7.742
   26   2HG   GLU  -1          2HG       GLU  -1 -10.224  -1.251   6.077
   27    H    CYS   1           H        CYS   1 -13.051   1.338   2.775
   28    HA   CYS   1           HA       CYS   1 -13.548  -1.065   1.589
   29   1HB   CYS   1          1HB       CYS   1 -15.871  -1.316   1.386
   30   2HB   CYS   1          2HB       CYS   1 -15.653  -1.025   3.074
   31    H    MET   2           H        MET   2 -13.636  -0.718  -0.598
   32    HA   MET   2           HA       MET   2 -13.661   2.164  -1.495
   33   1HB   MET   2          1HB       MET   2 -11.653  -0.093  -2.053
   34   2HB   MET   2          2HB       MET   2 -11.834   1.204  -3.204
   35   1HG   MET   2          1HG       MET   2  -9.924   1.462  -1.585
   36   2HG   MET   2          2HG       MET   2 -10.936   2.851  -1.889
   37   1HE   MET   2          1HE       MET   2  -9.657   0.241   0.525
   38   2HE   MET   2          2HE       MET   2 -10.560   0.489   2.025
   39   3HE   MET   2          3HE       MET   2 -11.336  -0.303   0.649
   40    H    HIS   3           H        HIS   3 -13.878   2.397  -3.783
   41    HA   HIS   3           HA       HIS   3 -16.018   0.753  -4.832
   42   1HB   HIS   3          1HB       HIS   3 -14.170   2.750  -6.291
   43   2HB   HIS   3          2HB       HIS   3 -15.658   2.096  -6.946
   44    HD1  HIS   3           HD1      HIS   3 -14.898   5.186  -5.952
   45    HD2  HIS   3           HD2      HIS   3 -17.603   2.443  -4.271
   46    HE1  HIS   3           HE1      HIS   3 -16.595   6.517  -4.613
   47    H    GLY   4           H        GLY   4 -12.563   0.894  -5.097
   48   1HA   GLY   4          1HA       GLY   4 -11.920  -1.670  -5.501
   49   2HA   GLY   4          2HA       GLY   4 -12.421  -1.226  -7.151
   50    H    SER   5           H        SER   5 -11.278   1.679  -6.352
   51    HA   SER   5           HA       SER   5  -8.721   1.128  -7.581
   52   1HB   SER   5          1HB       SER   5  -8.793   3.729  -7.596
   53   2HB   SER   5          2HB       SER   5 -10.067   2.882  -8.483
   54    HG   SER   5           HG       SER   5 -10.975   4.487  -7.036
   55    H    GLY   6           H        GLY   6  -9.908   2.967  -4.838
   56   1HA   GLY   6          1HA       GLY   6  -8.947   3.237  -2.664
   57   2HA   GLY   6          2HA       GLY   6  -7.608   2.181  -3.135
   58    H    GLU   7           H        GLU   7  -8.497   4.745  -5.200
   59    HA   GLU   7           HA       GLU   7  -6.066   5.954  -5.473
   60   1HB   GLU   7          1HB       GLU   7  -7.884   6.389  -6.971
   61   2HB   GLU   7          2HB       GLU   7  -8.886   7.099  -5.746
   62   1HG   GLU   7          1HG       GLU   7  -6.244   8.410  -6.586
   63   2HG   GLU   7          2HG       GLU   7  -7.726   8.669  -7.481
   64    H    ASN   8           H        ASN   8  -8.613   7.328  -3.427
   65    HA   ASN   8           HA       ASN   8  -6.616   9.000  -2.047
   66   1HB   ASN   8          1HB       ASN   8  -8.893   9.754  -2.948
   67   2HB   ASN   8          2HB       ASN   8  -9.670   8.876  -1.664
   68   1HD2  ASN   8          1HD2      ASN   8  -9.260  12.550  -0.980
   69   2HD2  ASN   8          2HD2      ASN   8  -9.836  11.623  -2.325
   70    H    TYR   9           H        TYR   9  -7.846   5.938  -1.602
   71    HA   TYR   9           HA       TYR   9  -8.532   5.829   1.135
   72   1HB   TYR   9          1HB       TYR   9  -9.182   4.004  -0.388
   73   2HB   TYR   9          2HB       TYR   9  -7.514   3.723  -0.857
   74    HD1  TYR   9           HD1      TYR   9  -9.611   3.831   2.215
   75    HD2  TYR   9           HD2      TYR   9  -6.416   1.897   0.132
   76    HE1  TYR   9           HE1      TYR   9  -9.395   2.312   4.036
   77    HE2  TYR   9           HE2      TYR   9  -6.177   0.314   1.998
   78    HH   TYR   9           HH       TYR   9  -8.284   0.404   4.839
   79    H    ASP  10           H        ASP  10  -7.170   6.446   2.732
   80    HA   ASP  10           HA       ASP  10  -4.554   4.987   2.838
   81   1HB   ASP  10          1HB       ASP  10  -4.808   7.629   4.298
   82   2HB   ASP  10          2HB       ASP  10  -3.386   6.778   3.738
   83    H    GLY  11           H        GLY  11  -6.481   3.479   3.834
   84   1HA   GLY  11          1HA       GLY  11  -7.271   4.433   6.463
   85   2HA   GLY  11          2HA       GLY  11  -7.825   3.020   5.607
   86    H    LYS  12           H        LYS  12  -7.105   1.189   6.231
   87    HA   LYS  12           HA       LYS  12  -4.649   0.983   7.969
   88   1HB   LYS  12          1HB       LYS  12  -7.396  -0.139   8.682
   89   2HB   LYS  12          2HB       LYS  12  -5.966  -0.422   9.615
   90   1HG   LYS  12          1HG       LYS  12  -7.293   2.290   9.152
   91   2HG   LYS  12          2HG       LYS  12  -7.440   1.335  10.582
   92   1HD   LYS  12          1HD       LYS  12  -4.876   2.665   9.568
   93   2HD   LYS  12          2HD       LYS  12  -5.843   3.183  10.907
   94   1HE   LYS  12          1HE       LYS  12  -4.188   0.611  10.743
   95   2HE   LYS  12          2HE       LYS  12  -3.850   2.019  11.731
   96   1HZ   LYS  12          1HZ       LYS  12  -6.189   0.249  11.996
   97   2HZ   LYS  12          2HZ       LYS  12  -4.809   0.254  12.988
   98   3HZ   LYS  12          3HZ       LYS  12  -5.850   1.597  12.969
   99    H    ILE  13           H        ILE  13  -6.376  -0.547   5.388
  100    HA   ILE  13           HA       ILE  13  -5.643  -3.225   6.213
  101    HB   ILE  13           HB       ILE  13  -6.360  -2.209   3.466
  102   1HG1  ILE  13          1HG1      ILE  13  -8.404  -3.743   5.117
  103   2HG1  ILE  13          2HG1      ILE  13  -8.139  -2.072   5.524
  104   1HG2  ILE  13          1HG2      ILE  13  -6.247  -5.062   4.541
  105   2HG2  ILE  13          2HG2      ILE  13  -7.020  -4.639   3.027
  106   3HG2  ILE  13          3HG2      ILE  13  -5.295  -4.381   3.220
  107   1HD1  ILE  13          1HD1      ILE  13  -8.795  -3.131   2.758
  108   2HD1  ILE  13          2HD1      ILE  13  -9.979  -2.416   3.865
  109   3HD1  ILE  13          3HD1      ILE  13  -8.709  -1.436   3.159
  110    H    SER  14           H        SER  14  -3.906  -4.331   5.778
  111    HA   SER  14           HA       SER  14  -1.691  -3.284   4.117
  112   1HB   SER  14          1HB       SER  14  -0.829  -2.328   6.031
  113   2HB   SER  14          2HB       SER  14  -1.774  -3.273   7.129
  114    HG   SER  14           HG       SER  14  -0.192  -4.990   6.749
  115    H    LYS  15           H        LYS  15  -3.246  -5.384   3.306
  116    HA   LYS  15           HA       LYS  15  -1.368  -7.646   3.781
  117   1HB   LYS  15          1HB       LYS  15  -4.430  -7.830   3.902
  118   2HB   LYS  15          2HB       LYS  15  -3.329  -9.167   3.841
  119   1HG   LYS  15          1HG       LYS  15  -3.411  -9.112   6.126
  120   2HG   LYS  15          2HG       LYS  15  -2.196  -7.910   5.947
  121   1HD   LYS  15          1HD       LYS  15  -4.536  -6.367   5.724
  122   2HD   LYS  15          2HD       LYS  15  -5.072  -7.642   6.775
  123   1HE   LYS  15          1HE       LYS  15  -2.758  -5.700   7.212
  124   2HE   LYS  15          2HE       LYS  15  -4.216  -5.797   8.176
  125   1HZ   LYS  15          1HZ       LYS  15  -2.253  -7.987   7.965
  126   2HZ   LYS  15          2HZ       LYS  15  -2.004  -6.747   8.948
  127   3HZ   LYS  15          3HZ       LYS  15  -3.385  -7.749   9.222
  128    H    THR  16           H        THR  16  -0.417  -8.026   1.952
  129    HA   THR  16           HA       THR  16  -1.722  -7.388  -0.529
  130    HB   THR  16           HB       THR  16   0.111  -8.286  -1.661
  131    HG1  THR  16           HG1      THR  16   0.442  -9.930   0.199
  132   1HG2  THR  16          1HG2      THR  16   0.254  -5.990  -0.551
  133   2HG2  THR  16          2HG2      THR  16   1.239  -6.741   0.708
  134   3HG2  THR  16          3HG2      THR  16   1.792  -6.693  -0.961
  135    H    MET  17           H        MET  17  -3.010  -8.552  -1.563
  136    HA   MET  17           HA       MET  17  -4.581 -10.498  -0.823
  137   1HB   MET  17          1HB       MET  17  -5.395 -10.509  -3.138
  138   2HB   MET  17          2HB       MET  17  -4.710  -8.962  -2.857
  139   1HG   MET  17          1HG       MET  17  -2.651  -9.578  -4.127
  140   2HG   MET  17          2HG       MET  17  -3.249 -11.204  -4.338
  141   1HE   MET  17          1HE       MET  17  -2.702 -10.993  -6.708
  142   2HE   MET  17          2HE       MET  17  -3.501  -9.955  -7.894
  143   3HE   MET  17          3HE       MET  17  -2.317  -9.279  -6.746
  144    H    SER  18           H        SER  18  -1.596 -11.156  -2.586
  145    HA   SER  18           HA       SER  18  -1.954 -14.087  -2.239
  146   1HB   SER  18          1HB       SER  18  -0.091 -13.859  -4.185
  147   2HB   SER  18          2HB       SER  18  -1.793 -13.534  -4.566
  148    HG   SER  18           HG       SER  18  -0.163 -11.729  -5.076
  149    H    GLY  19           H        GLY  19   0.284 -11.404  -2.076
  150   1HA   GLY  19          1HA       GLY  19   2.572 -12.873  -1.258
  151   2HA   GLY  19          2HA       GLY  19   2.394 -11.131  -1.192
  152    H    LEU  20           H        LEU  20   2.408 -10.210   0.913
  153    HA   LEU  20           HA       LEU  20   1.811 -11.955   3.206
  154   1HB   LEU  20          1HB       LEU  20   4.356 -10.230   2.965
  155   2HB   LEU  20          2HB       LEU  20   4.000 -11.367   4.207
  156    HG   LEU  20           HG       LEU  20   3.943 -13.083   2.105
  157   1HD1  LEU  20          1HD1      LEU  20   5.927 -10.913   1.259
  158   2HD1  LEU  20          2HD1      LEU  20   5.811 -12.506   0.523
  159   3HD1  LEU  20          3HD1      LEU  20   4.504 -11.354   0.349
  160   1HD2  LEU  20          1HD2      LEU  20   5.350 -13.326   4.131
  161   2HD2  LEU  20          2HD2      LEU  20   6.228 -13.736   2.664
  162   3HD2  LEU  20          3HD2      LEU  20   6.520 -12.195   3.451
  163    H    GLU  21           H        GLU  21   2.667 -10.258   5.165
  164    HA   GLU  21           HA       GLU  21   0.663  -8.200   5.221
  165   1HB   GLU  21          1HB       GLU  21   1.538  -9.481   7.217
  166   2HB   GLU  21          2HB       GLU  21   3.104  -8.737   7.012
  167   1HG   GLU  21          1HG       GLU  21   2.032  -7.542   8.790
  168   2HG   GLU  21          2HG       GLU  21   1.972  -6.449   7.434
  169    H    CYS  22           H        CYS  22   1.010  -5.956   5.108
  170    HA   CYS  22           HA       CYS  22   3.150  -5.291   3.280
  171   1HB   CYS  22          1HB       CYS  22   0.862  -3.635   4.373
  172   2HB   CYS  22          2HB       CYS  22   2.159  -2.939   3.412
  173    H    GLN  23           H        GLN  23   4.625  -3.968   3.378
  174    HA   GLN  23           HA       GLN  23   6.072  -3.418   5.884
  175   1HB   GLN  23          1HB       GLN  23   7.032  -4.889   4.174
  176   2HB   GLN  23          2HB       GLN  23   6.741  -3.764   2.896
  177   1HG   GLN  23          1HG       GLN  23   8.465  -2.612   5.014
  178   2HG   GLN  23          2HG       GLN  23   9.105  -4.104   4.336
  179   1HE2  GLN  23          1HE2      GLN  23   8.551  -0.876   1.877
  180   2HE2  GLN  23          2HE2      GLN  23   7.739  -0.916   3.364
  181    H    ALA  24           H        ALA  24   6.804  -1.387   6.342
  182    HA   ALA  24           HA       ALA  24   4.974   0.650   5.685
  183   1HB   ALA  24          1HB       ALA  24   6.131   0.512   7.882
  184   2HB   ALA  24          2HB       ALA  24   7.663   0.928   7.116
  185   3HB   ALA  24          3HB       ALA  24   6.349   2.106   7.174
  186    H    TRP  25           H        TRP  25   5.207   2.699   4.842
  187    HA   TRP  25           HA       TRP  25   6.423   2.593   2.245
  188   1HB   TRP  25          1HB       TRP  25   4.919   4.809   3.728
  189   2HB   TRP  25          2HB       TRP  25   5.462   4.966   2.054
  190    HD1  TRP  25           HD1      TRP  25   2.683   3.443   4.110
  191    HE1  TRP  25           HE1      TRP  25   1.053   2.229   2.551
  192    HE3  TRP  25           HE3      TRP  25   5.431   3.517  -0.171
  193    HZ2  TRP  25           HZ2      TRP  25   0.955   1.412  -0.133
  194    HZ3  TRP  25           HZ3      TRP  25   4.517   2.501  -2.248
  195    HH2  TRP  25           HH2      TRP  25   2.273   1.447  -2.226
  196    H    ASP  26           H        ASP  26   7.812   3.884   5.241
  197    HA   ASP  26           HA       ASP  26   9.354   5.759   3.589
  198   1HB   ASP  26          1HB       ASP  26   8.526   6.229   6.021
  199   2HB   ASP  26          2HB       ASP  26   9.911   5.311   6.552
  200    H    SER  27           H        SER  27  11.774   5.114   5.467
  201    HA   SER  27           HA       SER  27  12.791   2.905   3.683
  202   1HB   SER  27          1HB       SER  27  13.841   5.206   3.473
  203   2HB   SER  27          2HB       SER  27  14.413   5.064   5.139
  204    HG   SER  27           HG       SER  27  16.023   4.294   3.634
  205    H    GLN  28           H        GLN  28  12.894   1.053   4.614
  206    HA   GLN  28           HA       GLN  28  14.026   0.825   7.291
  207   1HB   GLN  28          1HB       GLN  28  11.833  -0.740   7.827
  208   2HB   GLN  28          2HB       GLN  28  12.061   0.887   8.330
  209   1HG   GLN  28          1HG       GLN  28   9.807   0.565   7.391
  210   2HG   GLN  28          2HG       GLN  28  10.675   1.818   6.524
  211   1HE2  GLN  28          1HE2      GLN  28  10.215   0.192   3.446
  212   2HE2  GLN  28          2HE2      GLN  28  10.466   1.646   4.236
  213    H    SER  29           H        SER  29  12.147  -1.544   5.221
  214    HA   SER  29           HA       SER  29  14.474  -2.906   4.370
  215   1HB   SER  29          1HB       SER  29  14.035  -4.954   6.022
  216   2HB   SER  29          2HB       SER  29  14.783  -3.554   6.748
  217    HG   SER  29           HG       SER  29  11.977  -3.729   6.728
  218    HA   PRO  30           HA       PRO  30  14.474  -5.522   3.764
  219   1HB   PRO  30          1HB       PRO  30  13.809  -6.049   0.893
  220   2HB   PRO  30          2HB       PRO  30  14.290  -7.191   2.136
  221   1HG   PRO  30          1HG       PRO  30  11.692  -7.045   1.300
  222   2HG   PRO  30          2HG       PRO  30  12.048  -7.276   3.008
  223   1HD   PRO  30          1HD       PRO  30  11.391  -4.676   1.585
  224   2HD   PRO  30          2HD       PRO  30  10.670  -5.298   3.075
  225    H    HIS  31           H        HIS  31  13.527  -2.791   1.784
  226    HA   HIS  31           HA       HIS  31  16.247  -1.962   1.630
  227   1HB   HIS  31          1HB       HIS  31  16.402  -1.893  -0.915
  228   2HB   HIS  31          2HB       HIS  31  16.372  -3.526  -0.306
  229    HD1  HIS  31           HD1      HIS  31  14.134  -4.899  -0.733
  230    HD2  HIS  31           HD2      HIS  31  14.196  -1.046  -2.392
  231    HE1  HIS  31           HE1      HIS  31  12.189  -4.751  -2.362
  232    H    ALA  32           H        ALA  32  16.431   0.124   0.506
  233    HA   ALA  32           HA       ALA  32  14.170   1.793   1.238
  234   1HB   ALA  32          1HB       ALA  32  16.543   2.525   1.615
  235   2HB   ALA  32          2HB       ALA  32  16.837   2.520  -0.123
  236   3HB   ALA  32          3HB       ALA  32  15.699   3.670   0.577
  237    H    HIS  33           H        HIS  33  12.731   0.780  -0.152
  238    HA   HIS  33           HA       HIS  33  12.830   0.980  -3.035
  239   1HB   HIS  33          1HB       HIS  33  10.319   0.349  -2.796
  240   2HB   HIS  33          2HB       HIS  33  11.400  -0.719  -1.922
  241    HD1  HIS  33           HD1      HIS  33   9.457   2.491  -1.095
  242    HD2  HIS  33           HD2      HIS  33  10.886  -1.049   0.706
  243    HE1  HIS  33           HE1      HIS  33   8.711   2.507   1.292
  244    H    GLY  34           H        GLY  34  10.814   2.068  -4.125
  245   1HA   GLY  34          1HA       GLY  34  11.153   4.935  -3.699
  246   2HA   GLY  34          2HA       GLY  34  10.169   4.138  -4.946
  247    H    TYR  36           H        TYR  36   9.087   6.244  -3.970
  248    HA   TYR  36           HA       TYR  36   7.247   7.155  -3.112
  249   1HB   TYR  36          1HB       TYR  36   6.099   4.443  -2.373
  250   2HB   TYR  36          2HB       TYR  36   5.232   5.887  -2.827
  251    HD1  TYR  36           HD1      TYR  36   6.018   6.815  -5.327
  252    HD2  TYR  36           HD2      TYR  36   6.166   2.804  -3.908
  253    HE1  TYR  36           HE1      TYR  36   6.080   5.981  -7.648
  254    HE2  TYR  36           HE2      TYR  36   6.242   1.965  -6.180
  255    HH   TYR  36           HH       TYR  36   6.826   2.701  -8.429
  256    H    ILE  37           H        ILE  37   9.057   7.607  -1.568
  257    HA   ILE  37           HA       ILE  37   8.609   6.565   1.156
  258    HB   ILE  37           HB       ILE  37  10.809   8.155  -0.180
  259   1HG1  ILE  37          1HG1      ILE  37  10.757   5.421   1.175
  260   2HG1  ILE  37          2HG1      ILE  37  10.743   5.694  -0.542
  261   1HG2  ILE  37          1HG2      ILE  37  10.545   9.099   2.136
  262   2HG2  ILE  37          2HG2      ILE  37  10.735   7.474   2.788
  263   3HG2  ILE  37          3HG2      ILE  37  12.058   8.256   1.942
  264   1HD1  ILE  37          1HD1      ILE  37  13.011   6.808  -0.378
  265   2HD1  ILE  37          2HD1      ILE  37  13.056   6.382   1.338
  266   3HD1  ILE  37          3HD1      ILE  37  13.011   5.120   0.121
  267    HA   PRO  38           HA       PRO  38   5.788   9.989   1.631
  268   1HB   PRO  38          1HB       PRO  38   6.351   9.909   4.585
  269   2HB   PRO  38          2HB       PRO  38   4.820   9.720   3.755
  270   1HG   PRO  38          1HG       PRO  38   6.285   7.624   4.894
  271   2HG   PRO  38          2HG       PRO  38   5.137   7.404   3.596
  272   1HD   PRO  38          1HD       PRO  38   8.077   7.331   3.443
  273   2HD   PRO  38          2HD       PRO  38   6.870   6.650   2.323
  274    H    SER  39           H        SER  39   8.932  10.053   3.157
  275    HA   SER  39           HA       SER  39   8.930  12.779   3.899
  276   1HB   SER  39          1HB       SER  39  11.377  11.067   3.150
  277   2HB   SER  39          2HB       SER  39  11.370  12.535   4.094
  278    HG   SER  39           HG       SER  39  10.284  10.035   4.918
  279    H    LYS  40           H        LYS  40   8.732  11.596   0.766
  280    HA   LYS  40           HA       LYS  40  10.013  14.026  -0.428
  281   1HB   LYS  40          1HB       LYS  40   9.327  11.231  -1.550
  282   2HB   LYS  40          2HB       LYS  40   9.803  12.557  -2.564
  283   1HG   LYS  40          1HG       LYS  40  11.665  11.119  -2.258
  284   2HG   LYS  40          2HG       LYS  40  12.025  12.684  -1.544
  285   1HD   LYS  40          1HD       LYS  40  11.820  11.800   0.701
  286   2HD   LYS  40          2HD       LYS  40  11.013  10.358   0.143
  287   1HE   LYS  40          1HE       LYS  40  13.362   9.861   0.759
  288   2HE   LYS  40          2HE       LYS  40  13.112   9.574  -0.956
  289   1HZ   LYS  40          1HZ       LYS  40  14.316  11.996   0.234
  290   2HZ   LYS  40          2HZ       LYS  40  15.142  10.736  -0.547
  291   3HZ   LYS  40          3HZ       LYS  40  14.070  11.720  -1.418
  292    H    PHE  41           H        PHE  41   7.064  13.129   0.710
  293    HA   PHE  41           HA       PHE  41   5.664  14.210  -1.688
  294   1HB   PHE  41          1HB       PHE  41   4.747  12.164   0.356
  295   2HB   PHE  41          2HB       PHE  41   3.671  12.949  -0.778
  296    HD1  PHE  41           HD1      PHE  41   6.607  10.739  -0.555
  297    HD2  PHE  41           HD2      PHE  41   3.658  12.425  -3.121
  298    HE1  PHE  41           HE1      PHE  41   7.257   9.176  -2.307
  299    HE2  PHE  41           HE2      PHE  41   4.271  10.824  -4.883
  300    HZ   PHE  41           HZ       PHE  41   6.091   9.201  -4.503
  301    HA   PRO  42           HA       PRO  42   4.011  17.238   1.297
  302   1HB   PRO  42          1HB       PRO  42   3.146  19.031  -0.630
  303   2HB   PRO  42          2HB       PRO  42   4.781  19.014   0.007
  304   1HG   PRO  42          1HG       PRO  42   3.820  17.818  -2.586
  305   2HG   PRO  42          2HG       PRO  42   5.278  18.764  -2.314
  306   1HD   PRO  42          1HD       PRO  42   5.250  16.007  -2.453
  307   2HD   PRO  42          2HD       PRO  42   6.439  16.849  -1.457
  308    H    ASN  43           H        ASN  43   3.035  15.093  -1.105
  309    HA   ASN  43           HA       ASN  43   0.187  15.621  -1.025
  310   1HB   ASN  43          1HB       ASN  43   1.544  14.426  -2.925
  311   2HB   ASN  43          2HB       ASN  43   1.630  13.027  -1.880
  312   1HD2  ASN  43          1HD2      ASN  43  -1.635  13.740  -4.111
  313   2HD2  ASN  43          2HD2      ASN  43  -0.175  14.646  -4.262
  314    H    LYS  44           H        LYS  44  -1.265  13.721  -0.194
  315    HA   LYS  44           HA       LYS  44  -0.287  13.107   2.547
  316   1HB   LYS  44          1HB       LYS  44  -2.370  13.471   3.288
  317   2HB   LYS  44          2HB       LYS  44  -2.567  14.365   1.826
  318   1HG   LYS  44          1HG       LYS  44  -3.566  11.548   2.435
  319   2HG   LYS  44          2HG       LYS  44  -4.498  12.997   2.331
  320   1HD   LYS  44          1HD       LYS  44  -3.884  13.097  -0.160
  321   2HD   LYS  44          2HD       LYS  44  -3.128  11.543  -0.001
  322   1HE   LYS  44          1HE       LYS  44  -6.089  12.151   0.379
  323   2HE   LYS  44          2HE       LYS  44  -5.352  11.261  -0.913
  324   1HZ   LYS  44          1HZ       LYS  44  -5.330  10.249   1.868
  325   2HZ   LYS  44          2HZ       LYS  44  -6.543   9.905   0.704
  326   3HZ   LYS  44          3HZ       LYS  44  -4.950   9.395   0.553
  327    H    ASN  45           H        ASN  45  -0.513  11.674  -0.403
  328    HA   ASN  45           HA       ASN  45  -1.755   9.339  -0.267
  329   1HB   ASN  45          1HB       ASN  45  -0.201   8.414  -1.957
  330   2HB   ASN  45          2HB       ASN  45  -0.677  10.068  -2.307
  331   1HD2  ASN  45          1HD2      ASN  45   2.970   9.748  -2.933
  332   2HD2  ASN  45          2HD2      ASN  45   1.576   9.015  -3.620
  333    H    LEU  46           H        LEU  46   1.791   9.045   0.409
  334    HA   LEU  46           HA       LEU  46   1.269   6.424   1.408
  335   1HB   LEU  46          1HB       LEU  46   3.737   8.149   1.952
  336   2HB   LEU  46          2HB       LEU  46   3.578   6.456   2.319
  337    HG   LEU  46           HG       LEU  46   4.597   6.103   0.398
  338   1HD1  LEU  46          1HD1      LEU  46   2.311   5.239  -0.137
  339   2HD1  LEU  46          2HD1      LEU  46   1.967   6.742  -0.995
  340   3HD1  LEU  46          3HD1      LEU  46   3.259   5.684  -1.541
  341   1HD2  LEU  46          1HD2      LEU  46   3.731   8.814  -0.646
  342   2HD2  LEU  46          2HD2      LEU  46   5.295   8.361   0.020
  343   3HD2  LEU  46          3HD2      LEU  46   4.768   7.686  -1.510
  344    H    LYS  47           H        LYS  47   1.640   5.549   3.473
  345    HA   LYS  47           HA       LYS  47   1.014   7.341   5.688
  346   1HB   LYS  47          1HB       LYS  47  -1.111   6.175   4.474
  347   2HB   LYS  47          2HB       LYS  47  -0.664   4.789   5.353
  348   1HG   LYS  47          1HG       LYS  47  -1.915   5.734   7.077
  349   2HG   LYS  47          2HG       LYS  47  -0.568   6.796   7.330
  350   1HD   LYS  47          1HD       LYS  47  -3.142   7.334   5.788
  351   2HD   LYS  47          2HD       LYS  47  -2.542   8.121   7.195
  352   1HE   LYS  47          1HE       LYS  47  -2.057   9.756   5.634
  353   2HE   LYS  47          2HE       LYS  47  -0.528   8.931   5.672
  354   1HZ   LYS  47          1HZ       LYS  47  -1.392   7.735   3.564
  355   2HZ   LYS  47          2HZ       LYS  47  -2.585   8.935   3.555
  356   3HZ   LYS  47          3HZ       LYS  47  -0.967   9.324   3.504
  357    H    LYS  48           H        LYS  48   0.430   4.646   7.152
  358    HA   LYS  48           HA       LYS  48   3.161   4.260   7.987
  359   1HB   LYS  48          1HB       LYS  48   0.754   2.452   8.599
  360   2HB   LYS  48          2HB       LYS  48   2.269   2.423   9.430
  361   1HG   LYS  48          1HG       LYS  48   0.289   4.759   9.359
  362   2HG   LYS  48          2HG       LYS  48   0.471   3.639  10.664
  363   1HD   LYS  48          1HD       LYS  48   2.578   5.645   9.711
  364   2HD   LYS  48          2HD       LYS  48   1.596   5.793  11.135
  365   1HE   LYS  48          1HE       LYS  48   3.749   3.661  10.665
  366   2HE   LYS  48          2HE       LYS  48   3.854   5.029  11.756
  367   1HZ   LYS  48          1HZ       LYS  48   2.046   4.114  13.035
  368   2HZ   LYS  48          2HZ       LYS  48   1.944   2.794  11.978
  369   3HZ   LYS  48          3HZ       LYS  48   3.340   3.024  12.914
  370    H    ASN  49           H        ASN  49   1.144   1.481   7.110
  371    HA   ASN  49           HA       ASN  49   2.948   0.678   4.911
  372   1HB   ASN  49          1HB       ASN  49   3.072  -1.616   5.954
  373   2HB   ASN  49          2HB       ASN  49   3.757  -0.443   7.061
  374   1HD2  ASN  49          1HD2      ASN  49   1.140  -2.891   8.531
  375   2HD2  ASN  49          2HD2      ASN  49   2.263  -3.176   7.301
  376    H    TYR  50           H        TYR  50   0.243   1.806   5.242
  377    HA   TYR  50           HA       TYR  50  -1.488  -0.475   4.604
  378   1HB   TYR  50          1HB       TYR  50  -2.230   2.494   4.706
  379   2HB   TYR  50          2HB       TYR  50  -3.345   1.152   4.786
  380    HD1  TYR  50           HD1      TYR  50  -2.156  -0.703   6.695
  381    HD2  TYR  50           HD2      TYR  50  -2.263   3.562   6.789
  382    HE1  TYR  50           HE1      TYR  50  -1.855  -0.777   9.092
  383    HE2  TYR  50           HE2      TYR  50  -1.982   3.505   9.235
  384    HH   TYR  50           HH       TYR  50  -1.049   0.698  10.926
  385    H    CYS  51           H        CYS  51  -2.774  -0.666   2.794
  386    HA   CYS  51           HA       CYS  51  -1.381  -0.452   0.400
  387   1HB   CYS  51          1HB       CYS  51  -4.416  -0.665   0.726
  388   2HB   CYS  51          2HB       CYS  51  -3.467  -1.359  -0.570
  389    H    ARG  52           H        ARG  52  -1.188   1.053  -1.184
  390    HA   ARG  52           HA       ARG  52  -3.071   3.306  -1.340
  391   1HB   ARG  52          1HB       ARG  52   0.010   3.515  -1.284
  392   2HB   ARG  52          2HB       ARG  52  -1.018   4.861  -1.658
  393   1HG   ARG  52          1HG       ARG  52  -1.003   3.462   1.021
  394   2HG   ARG  52          2HG       ARG  52  -0.263   4.986   0.635
  395   1HD   ARG  52          1HD       ARG  52  -3.264   4.390   0.585
  396   2HD   ARG  52          2HD       ARG  52  -2.403   5.447   1.685
  397    HE   ARG  52           HE       ARG  52  -1.982   6.982   0.097
  398   1HH1  ARG  52          1HH1      ARG  52  -4.582   4.790  -0.688
  399   2HH1  ARG  52          2HH1      ARG  52  -5.005   5.421  -2.230
  400   1HH2  ARG  52          1HH2      ARG  52  -2.657   8.111  -1.887
  401   2HH2  ARG  52          2HH2      ARG  52  -4.057   7.541  -2.729
  402    H    ASN  53           H        ASN  53  -1.940   4.743  -3.315
  403    HA   ASN  53           HA       ASN  53  -1.686   2.902  -5.629
  404   1HB   ASN  53          1HB       ASN  53  -3.764   5.110  -5.092
  405   2HB   ASN  53          2HB       ASN  53  -3.510   4.617  -6.723
  406   1HD2  ASN  53          1HD2      ASN  53  -5.432   1.714  -6.440
  407   2HD2  ASN  53          2HD2      ASN  53  -4.508   2.597  -7.534
  408    HA   PRO  54           HA       PRO  54   1.066   6.786  -5.392
  409   1HB   PRO  54          1HB       PRO  54   3.282   4.842  -6.032
  410   2HB   PRO  54          2HB       PRO  54   3.270   6.155  -4.869
  411   1HG   PRO  54          1HG       PRO  54   3.081   3.548  -4.072
  412   2HG   PRO  54          2HG       PRO  54   2.222   4.833  -3.236
  413   1HD   PRO  54          1HD       PRO  54   1.061   2.860  -5.178
  414   2HD   PRO  54          2HD       PRO  54   0.401   3.539  -3.693
  415    H    ASP  55           H        ASP  55   1.404   4.004  -7.603
  416    HA   ASP  55           HA       ASP  55   2.022   5.734  -9.887
  417   1HB   ASP  55          1HB       ASP  55   2.415   3.581 -11.038
  418   2HB   ASP  55          2HB       ASP  55   3.298   3.620  -9.531
  419    H    ARG  56           H        ARG  56  -0.595   4.807  -8.216
  420    HA   ARG  56           HA       ARG  56  -2.567   4.231  -8.387
  421   1HB   ARG  56          1HB       ARG  56  -4.134   5.617  -9.391
  422   2HB   ARG  56          2HB       ARG  56  -2.854   6.503  -8.673
  423   1HG   ARG  56          1HG       ARG  56  -2.185   6.076 -11.504
  424   2HG   ARG  56          2HG       ARG  56  -3.795   6.707 -11.362
  425   1HD   ARG  56          1HD       ARG  56  -2.342   8.662 -11.453
  426   2HD   ARG  56          2HD       ARG  56  -2.900   8.524  -9.797
  427    HE   ARG  56           HE       ARG  56  -0.829   7.944  -9.052
  428   1HH1  ARG  56          1HH1      ARG  56  -0.898   7.947 -12.553
  429   2HH1  ARG  56          2HH1      ARG  56   0.802   8.100 -12.787
  430   1HH2  ARG  56          1HH2      ARG  56   1.463   8.041  -9.295
  431   2HH2  ARG  56          2HH2      ARG  56   2.188   8.264 -10.843
  432    H    GLU  57           H        GLU  57  -1.803   2.372  -8.711
  433    HA   GLU  57           HA       GLU  57  -2.253   0.753 -11.029
  434   1HB   GLU  57          1HB       GLU  57  -0.662   0.209  -9.160
  435   2HB   GLU  57          2HB       GLU  57  -1.941   0.387  -8.002
  436   1HG   GLU  57          1HG       GLU  57  -1.362  -1.951  -8.219
  437   2HG   GLU  57          2HG       GLU  57  -2.995  -1.751  -8.760
  438    H    LEU  58           H        LEU  58  -3.925  -1.076 -10.730
  439    HA   LEU  58           HA       LEU  58  -6.529   0.088 -10.495
  440   1HB   LEU  58          1HB       LEU  58  -6.031  -1.774 -12.034
  441   2HB   LEU  58          2HB       LEU  58  -5.607  -2.828 -10.726
  442    HG   LEU  58           HG       LEU  58  -7.959  -2.755  -9.889
  443   1HD1  LEU  58          1HD1      LEU  58  -8.518  -1.079 -12.381
  444   2HD1  LEU  58          2HD1      LEU  58  -9.749  -1.796 -11.345
  445   3HD1  LEU  58          3HD1      LEU  58  -8.694  -0.548 -10.708
  446   1HD2  LEU  58          1HD2      LEU  58  -7.237  -4.562 -11.416
  447   2HD2  LEU  58          2HD2      LEU  58  -8.929  -4.155 -11.677
  448   3HD2  LEU  58          3HD2      LEU  58  -7.703  -3.590 -12.810
  449    H    ARG  59           H        ARG  59  -5.699  -2.892  -8.671
  450    HA   ARG  59           HA       ARG  59  -7.316  -1.900  -6.511
  451   1HB   ARG  59          1HB       ARG  59  -7.053  -4.319  -7.381
  452   2HB   ARG  59          2HB       ARG  59  -5.541  -4.432  -6.541
  453   1HG   ARG  59          1HG       ARG  59  -6.715  -4.168  -4.366
  454   2HG   ARG  59          2HG       ARG  59  -8.216  -3.846  -5.223
  455   1HD   ARG  59          1HD       ARG  59  -7.908  -6.271  -6.253
  456   2HD   ARG  59          2HD       ARG  59  -6.749  -6.496  -4.927
  457    HE   ARG  59           HE       ARG  59  -9.224  -5.273  -4.144
  458   1HH1  ARG  59          1HH1      ARG  59  -7.732  -8.393  -4.906
  459   2HH1  ARG  59          2HH1      ARG  59  -8.517  -9.254  -3.620
  460   1HH2  ARG  59          1HH2      ARG  59 -10.490  -6.542  -2.563
  461   2HH2  ARG  59          2HH2      ARG  59 -10.100  -8.203  -2.316
  462    HA   PRO  61           HA       PRO  61  -4.013   0.244  -4.407
  463   1HB   PRO  61          1HB       PRO  61  -4.798   0.006  -1.705
  464   2HB   PRO  61          2HB       PRO  61  -5.516   1.103  -2.863
  465   1HG   PRO  61          1HG       PRO  61  -6.477  -1.612  -2.047
  466   2HG   PRO  61          2HG       PRO  61  -7.435  -0.134  -2.193
  467   1HD   PRO  61          1HD       PRO  61  -7.362  -2.120  -4.105
  468   2HD   PRO  61          2HD       PRO  61  -7.526  -0.455  -4.614
  469    H    TRP  62           H        TRP  62  -1.973  -0.261  -3.591
  470    HA   TRP  62           HA       TRP  62  -1.572  -3.030  -2.577
  471   1HB   TRP  62          1HB       TRP  62   0.333  -3.311  -4.171
  472   2HB   TRP  62          2HB       TRP  62  -1.105  -2.909  -5.083
  473    HD1  TRP  62           HD1      TRP  62  -1.250  -0.554  -6.269
  474    HE1  TRP  62           HE1      TRP  62   0.570   1.186  -6.872
  475    HE3  TRP  62           HE3      TRP  62   2.477  -2.280  -3.328
  476    HZ2  TRP  62           HZ2      TRP  62   3.213   1.789  -6.017
  477    HZ3  TRP  62           HZ3      TRP  62   4.631  -1.091  -3.175
  478    HH2  TRP  62           HH2      TRP  62   5.008   0.933  -4.527
  479    H    CYS  63           H        CYS  63   0.638  -3.360  -1.674
  480    HA   CYS  63           HA       CYS  63   2.164  -0.997  -1.024
  481   1HB   CYS  63          1HB       CYS  63   2.165  -1.690   1.532
  482   2HB   CYS  63          2HB       CYS  63   0.935  -0.637   0.919
  483    H    PHE  64           H        PHE  64   4.155  -1.608   0.144
  484    HA   PHE  64           HA       PHE  64   5.298  -3.770  -1.392
  485   1HB   PHE  64          1HB       PHE  64   6.439  -2.102   0.938
  486   2HB   PHE  64          2HB       PHE  64   7.397  -3.199  -0.032
  487    HD1  PHE  64           HD1      PHE  64   7.204  -2.855  -2.649
  488    HD2  PHE  64           HD2      PHE  64   6.431   0.180   0.264
  489    HE1  PHE  64           HE1      PHE  64   7.682  -1.093  -4.332
  490    HE2  PHE  64           HE2      PHE  64   6.958   1.910  -1.423
  491    HZ   PHE  64           HZ       PHE  64   7.650   1.249  -3.691
  492    H    THR  65           H        THR  65   6.332  -5.694  -0.459
  493    HA   THR  65           HA       THR  65   4.835  -6.560   2.002
  494    HB   THR  65           HB       THR  65   4.998  -8.750   1.346
  495    HG1  THR  65           HG1      THR  65   7.149  -8.146  -0.358
  496   1HG2  THR  65          1HG2      THR  65   3.544  -7.668  -0.280
  497   2HG2  THR  65          2HG2      THR  65   4.886  -7.377  -1.386
  498   3HG2  THR  65          3HG2      THR  65   4.378  -9.022  -1.022
  499    H    THR  66           H        THR  66   6.135  -8.211   3.379
  500    HA   THR  66           HA       THR  66   8.628  -6.901   4.105
  501    HB   THR  66           HB       THR  66   8.390  -8.641   6.012
  502    HG1  THR  66           HG1      THR  66   7.084 -10.145   4.823
  503   1HG2  THR  66          1HG2      THR  66   7.455  -6.336   6.252
  504   2HG2  THR  66          2HG2      THR  66   5.950  -6.855   5.497
  505   3HG2  THR  66          3HG2      THR  66   6.436  -7.537   7.040
  506    H    ASP  67           H        ASP  67   7.856  -9.238   1.799
  507    HA   ASP  67           HA       ASP  67   9.984 -11.133   2.409
  508   1HB   ASP  67          1HB       ASP  67   7.892 -11.924   1.513
  509   2HB   ASP  67          2HB       ASP  67   7.986 -10.822   0.151
  510    HA   PRO  68           HA       PRO  68  12.974  -8.477   0.242
  511   1HB   PRO  68          1HB       PRO  68  14.598 -11.023   0.326
  512   2HB   PRO  68          2HB       PRO  68  15.099  -9.394   0.762
  513   1HG   PRO  68          1HG       PRO  68  14.502 -11.232   2.688
  514   2HG   PRO  68          2HG       PRO  68  13.994  -9.556   2.879
  515   1HD   PRO  68          1HD       PRO  68  12.279 -11.898   2.013
  516   2HD   PRO  68          2HD       PRO  68  11.897 -10.542   3.096
  517    H    ASN  69           H        ASN  69  11.452 -11.226  -1.070
  518    HA   ASN  69           HA       ASN  69  12.658 -10.614  -3.748
  519   1HB   ASN  69          1HB       ASN  69  11.668 -13.309  -2.641
  520   2HB   ASN  69          2HB       ASN  69  12.122 -13.038  -4.310
  521   1HD2  ASN  69          1HD2      ASN  69  15.607 -12.338  -2.702
  522   2HD2  ASN  69          2HD2      ASN  69  14.407 -11.120  -2.932
  523    H    LYS  70           H        LYS  70  10.130  -9.764  -2.038
  524    HA   LYS  70           HA       LYS  70   8.399  -9.923  -4.414
  525   1HB   LYS  70          1HB       LYS  70   7.984 -11.528  -2.251
  526   2HB   LYS  70          2HB       LYS  70   7.122 -10.202  -1.667
  527   1HG   LYS  70          1HG       LYS  70   5.494 -11.511  -2.750
  528   2HG   LYS  70          2HG       LYS  70   5.779 -10.227  -3.897
  529   1HD   LYS  70          1HD       LYS  70   5.652 -12.572  -4.878
  530   2HD   LYS  70          2HD       LYS  70   7.059 -11.667  -5.345
  531   1HE   LYS  70          1HE       LYS  70   7.497 -14.108  -4.750
  532   2HE   LYS  70          2HE       LYS  70   8.536 -12.951  -3.963
  533   1HZ   LYS  70          1HZ       LYS  70   6.198 -14.204  -2.649
  534   2HZ   LYS  70          2HZ       LYS  70   7.835 -14.638  -2.464
  535   3HZ   LYS  70          3HZ       LYS  70   7.359 -13.177  -1.943
  536    H    ARG  71           H        ARG  71   8.967  -7.847  -4.873
  537    HA   ARG  71           HA       ARG  71   9.201  -5.798  -2.944
  538   1HB   ARG  71          1HB       ARG  71  10.203  -5.743  -5.203
  539   2HB   ARG  71          2HB       ARG  71   8.680  -5.520  -5.960
  540   1HG   ARG  71          1HG       ARG  71   9.040  -3.457  -3.896
  541   2HG   ARG  71          2HG       ARG  71  10.500  -3.574  -4.806
  542   1HD   ARG  71          1HD       ARG  71   7.730  -2.958  -5.982
  543   2HD   ARG  71          2HD       ARG  71   9.099  -1.862  -5.777
  544    HE   ARG  71           HE       ARG  71   9.362  -4.281  -7.437
  545   1HH1  ARG  71          1HH1      ARG  71   8.799  -0.803  -7.444
  546   2HH1  ARG  71          2HH1      ARG  71   9.817  -0.437  -8.759
  547   1HH2  ARG  71          1HH2      ARG  71  10.609  -3.858  -9.378
  548   2HH2  ARG  71          2HH2      ARG  71  10.672  -2.269 -10.028
  549    H    TRP  72           H        TRP  72   6.653  -5.578  -5.464
  550    HA   TRP  72           HA       TRP  72   4.816  -4.492  -3.431
  551   1HB   TRP  72          1HB       TRP  72   3.686  -3.434  -5.319
  552   2HB   TRP  72          2HB       TRP  72   5.360  -3.006  -5.437
  553    HD1  TRP  72           HD1      TRP  72   6.874  -4.616  -7.325
  554    HE1  TRP  72           HE1      TRP  72   6.102  -5.209  -9.671
  555    HE3  TRP  72           HE3      TRP  72   1.866  -4.112  -6.649
  556    HZ2  TRP  72           HZ2      TRP  72   3.637  -5.388 -11.090
  557    HZ3  TRP  72           HZ3      TRP  72   0.321  -4.446  -8.568
  558    HH2  TRP  72           HH2      TRP  72   1.205  -5.003 -10.768
  559    H    GLU  73           H        GLU  73   2.546  -5.089  -3.615
  560    HA   GLU  73           HA       GLU  73   1.731  -6.996  -5.506
  561   1HB   GLU  73          1HB       GLU  73   2.883  -8.645  -3.894
  562   2HB   GLU  73          2HB       GLU  73   1.965  -8.016  -2.611
  563   1HG   GLU  73          1HG       GLU  73   0.960 -10.115  -3.376
  564   2HG   GLU  73          2HG       GLU  73  -0.181  -8.858  -3.717
  565    H    LEU  74           H        LEU  74  -0.468  -7.200  -5.541
  566    HA   LEU  74           HA       LEU  74  -1.817  -4.824  -4.624
  567   1HB   LEU  74          1HB       LEU  74  -3.140  -7.367  -5.684
  568   2HB   LEU  74          2HB       LEU  74  -3.871  -5.790  -5.615
  569    HG   LEU  74           HG       LEU  74  -1.517  -6.579  -7.382
  570   1HD1  LEU  74          1HD1      LEU  74  -3.703  -7.478  -8.135
  571   2HD1  LEU  74          2HD1      LEU  74  -4.389  -5.855  -8.115
  572   3HD1  LEU  74          3HD1      LEU  74  -3.098  -6.254  -9.245
  573   1HD2  LEU  74          1HD2      LEU  74  -2.867  -3.853  -7.050
  574   2HD2  LEU  74          2HD2      LEU  74  -1.164  -4.243  -6.819
  575   3HD2  LEU  74          3HD2      LEU  74  -1.866  -4.282  -8.424
  576    H    CYS  75           H        CYS  75  -3.347  -4.509  -3.060
  577    HA   CYS  75           HA       CYS  75  -3.373  -6.466  -0.858
  578   1HB   CYS  75          1HB       CYS  75  -4.431  -3.648  -1.158
  579   2HB   CYS  75          2HB       CYS  75  -4.688  -4.610   0.275
  580    H    ASP  76           H        ASP  76  -5.187  -7.330   0.056
  581    HA   ASP  76           HA       ASP  76  -7.345  -7.470  -1.949
  582   1HB   ASP  76          1HB       ASP  76  -6.512  -9.588  -0.745
  583   2HB   ASP  76          2HB       ASP  76  -7.451  -9.082   0.628
  584    H    ILE  77           H        ILE  77  -7.924  -5.323  -1.766
  585    HA   ILE  77           HA       ILE  77  -8.914  -4.416   0.818
  586    HB   ILE  77           HB       ILE  77  -8.237  -3.094  -1.717
  587   1HG1  ILE  77          1HG1      ILE  77  -7.755  -1.148  -0.302
  588   2HG1  ILE  77          2HG1      ILE  77  -8.565  -1.800   1.033
  589   1HG2  ILE  77          1HG2      ILE  77 -10.718  -2.053  -0.313
  590   2HG2  ILE  77          2HG2      ILE  77  -9.760  -1.125  -1.453
  591   3HG2  ILE  77          3HG2      ILE  77 -10.609  -2.574  -1.988
  592   1HD1  ILE  77          1HD1      ILE  77  -6.796  -3.709   1.044
  593   2HD1  ILE  77          2HD1      ILE  77  -6.034  -2.824  -0.271
  594   3HD1  ILE  77          3HD1      ILE  77  -6.143  -2.091   1.312
  595    HA   PRO  78           HA       PRO  78 -13.033  -5.918   0.109
  596   1HB   PRO  78          1HB       PRO  78 -14.328  -4.630   2.197
  597   2HB   PRO  78          2HB       PRO  78 -13.155  -5.915   2.434
  598   1HG   PRO  78          1HG       PRO  78 -12.707  -2.947   2.678
  599   2HG   PRO  78          2HG       PRO  78 -12.042  -4.187   3.751
  600   1HD   PRO  78          1HD       PRO  78 -10.650  -3.010   1.687
  601   2HD   PRO  78          2HD       PRO  78 -10.311  -4.649   2.317
  602    H    ARG  79           H        ARG  79 -14.489  -5.373  -1.338
  603    HA   ARG  79           HA       ARG  79 -14.633  -2.623  -2.263
  604   1HB   ARG  79          1HB       ARG  79 -14.908  -4.550  -3.828
  605   2HB   ARG  79          2HB       ARG  79 -16.374  -5.029  -3.028
  606   1HG   ARG  79          1HG       ARG  79 -17.383  -2.759  -3.673
  607   2HG   ARG  79          2HG       ARG  79 -15.890  -2.388  -4.486
  608   1HD   ARG  79          1HD       ARG  79 -17.304  -3.111  -6.235
  609   2HD   ARG  79          2HD       ARG  79 -16.402  -4.607  -5.895
  610    HE   ARG  79           HE       ARG  79 -18.578  -4.560  -4.189
  611   1HH1  ARG  79          1HH1      ARG  79 -17.978  -4.671  -7.625
  612   2HH1  ARG  79          2HH1      ARG  79 -19.479  -5.390  -8.070
  613   1HH2  ARG  79          1HH2      ARG  79 -20.680  -5.458  -4.710
  614   2HH2  ARG  79          2HH2      ARG  79 -21.035  -5.910  -6.327
  615    H    CYS  80           H        CYS  80 -16.359  -1.141  -1.930
  616    HA   CYS  80           HA       CYS  80 -18.021  -1.595   0.431
  617   1HB   CYS  80          1HB       CYS  80 -18.320   0.536  -1.759
  618   2HB   CYS  80          2HB       CYS  80 -19.137   0.557  -0.219
  619    H    THR  81           H        THR  81 -19.480  -3.304   0.202
  620    HA   THR  81           HA       THR  81 -21.681  -3.011  -1.571
  621    HB   THR  81           HB       THR  81 -20.085  -3.733  -3.263
  622    HG1  THR  81           HG1      THR  81 -21.870  -5.726  -2.540
  623   1HG2  THR  81          1HG2      THR  81 -19.350  -6.019  -1.365
  624   2HG2  THR  81          2HG2      THR  81 -18.937  -6.051  -3.068
  625   3HG2  THR  81          3HG2      THR  81 -18.304  -4.784  -2.039
  626    H1   AMH  84           H1       AMH  84   6.113  -1.229  -9.403
  627   1H2   AMH  84          1H2       AMH  84   5.787   1.143 -10.178
  628   2H2   AMH  84          2H2       AMH  84   4.614   1.379  -8.855
  629   1H3   AMH  84          1H3       AMH  84   3.594   0.840 -11.139
  630   2H3   AMH  84          2H3       AMH  84   4.420  -0.710 -11.037
  631    H4   AMH  84           H4       AMH  84   2.341   0.300  -9.031
  632   1H5   AMH  84          1H5       AMH  84   2.586  -1.890  -8.010
  633   2H5   AMH  84          2H5       AMH  84   3.682  -2.395  -9.301
  634   1H6   AMH  84          1H6       AMH  84   5.087  -1.974  -7.393
  635   2H6   AMH  84          2H6       AMH  84   4.325  -0.435  -7.097
  636   1H7   AMH  84          1H7       AMH  84   1.055  -1.770  -9.948
  637   2H7   AMH  84          2H7       AMH  84   1.129  -0.330 -10.990
  638   1HN   AMH  84          1HN       AMH  84   3.095  -2.484 -11.229
  639   2HN   AMH  84          2HN       AMH  84   1.652  -2.550 -11.981
  640   3HN   AMH  84          3HN       AMH  84   2.682  -1.335 -12.315
  Start of MODEL    3
    1   1H    THR  -4          1H        THR  -4 -13.880   2.593  10.856
    2   2H    THR  -4          2H        THR  -4 -15.028   1.696  11.646
    3   3H    THR  -4          3H        THR  -4 -14.482   1.231  10.139
    4    HA   THR  -4           HA       THR  -4 -16.267   2.126   9.452
    5    HB   THR  -4           HB       THR  -4 -16.428   4.175  11.691
    6    HG1  THR  -4           HG1      THR  -4 -17.037   2.350  13.073
    7   1HG2  THR  -4          1HG2      THR  -4 -18.331   3.849  10.052
    8   2HG2  THR  -4          2HG2      THR  -4 -18.491   2.178  10.582
    9   3HG2  THR  -4          3HG2      THR  -4 -18.832   3.503  11.696
   10    H    SER  -3           H        SER  -3 -13.591   3.002   8.634
   11    HA   SER  -3           HA       SER  -3 -14.371   5.412   7.350
   12   1HB   SER  -3          1HB       SER  -3 -13.768   6.325   9.645
   13   2HB   SER  -3          2HB       SER  -3 -12.151   5.699   9.479
   14    HG   SER  -3           HG       SER  -3 -11.808   7.288   7.906
   15    H    GLU  -2           H        GLU  -2 -13.304   5.614   5.542
   16    HA   GLU  -2           HA       GLU  -2 -12.057   5.046   3.731
   17   1HB   GLU  -2          1HB       GLU  -2  -9.756   4.674   5.685
   18   2HB   GLU  -2          2HB       GLU  -2  -9.612   5.154   4.026
   19   1HG   GLU  -2          1HG       GLU  -2  -9.727   7.356   4.549
   20   2HG   GLU  -2          2HG       GLU  -2 -11.229   7.178   5.416
   21    H    GLU  -1           H        GLU  -1 -13.355   2.769   4.942
   22    HA   GLU  -1           HA       GLU  -1 -11.310   0.651   4.432
   23   1HB   GLU  -1          1HB       GLU  -1 -12.410  -0.683   6.201
   24   2HB   GLU  -1          2HB       GLU  -1 -11.767   0.834   6.763
   25   1HG   GLU  -1          1HG       GLU  -1 -14.195   1.801   6.517
   26   2HG   GLU  -1          2HG       GLU  -1 -14.708   0.140   6.298
   27    H    CYS   1           H        CYS   1 -13.216   1.880   2.494
   28    HA   CYS   1           HA       CYS   1 -13.646  -0.604   1.261
   29   1HB   CYS   1          1HB       CYS   1 -15.963  -0.708   0.950
   30   2HB   CYS   1          2HB       CYS   1 -15.807  -0.406   2.644
   31    H    MET   2           H        MET   2 -13.622  -0.316  -0.941
   32    HA   MET   2           HA       MET   2 -13.397   2.532  -1.898
   33   1HB   MET   2          1HB       MET   2 -11.475   0.171  -2.210
   34   2HB   MET   2          2HB       MET   2 -11.473   1.431  -3.412
   35   1HG   MET   2          1HG       MET   2  -9.704   1.657  -1.660
   36   2HG   MET   2          2HG       MET   2 -10.602   3.082  -2.083
   37   1HE   MET   2          1HE       MET   2  -9.696   0.448   0.452
   38   2HE   MET   2          2HE       MET   2 -10.578   0.854   1.925
   39   3HE   MET   2          3HE       MET   2 -11.413   0.051   0.581
   40    H    HIS   3           H        HIS   3 -13.239   2.672  -4.176
   41    HA   HIS   3           HA       HIS   3 -15.443   1.330  -5.486
   42   1HB   HIS   3          1HB       HIS   3 -13.269   3.182  -6.653
   43   2HB   HIS   3          2HB       HIS   3 -14.744   2.720  -7.478
   44    HD1  HIS   3           HD1      HIS   3 -13.912   5.692  -6.519
   45    HD2  HIS   3           HD2      HIS   3 -16.748   3.156  -4.732
   46    HE1  HIS   3           HE1      HIS   3 -15.533   7.155  -5.221
   47    H    GLY   4           H        GLY   4 -11.997   0.913  -5.272
   48   1HA   GLY   4          1HA       GLY   4 -11.775  -1.667  -5.953
   49   2HA   GLY   4          2HA       GLY   4 -11.860  -0.922  -7.572
   50    H    SER   5           H        SER   5 -10.495   1.499  -7.067
   51    HA   SER   5           HA       SER   5  -7.748   0.529  -7.126
   52   1HB   SER   5          1HB       SER   5  -7.573   2.930  -8.099
   53   2HB   SER   5          2HB       SER   5  -8.588   1.810  -9.000
   54    HG   SER   5           HG       SER   5  -9.564   3.958  -8.412
   55    H    GLY   6           H        GLY   6  -9.609   3.181  -5.780
   56   1HA   GLY   6          1HA       GLY   6  -9.438   4.209  -3.619
   57   2HA   GLY   6          2HA       GLY   6  -8.284   2.933  -3.178
   58    H    GLU   7           H        GLU   7  -8.484   5.513  -5.534
   59    HA   GLU   7           HA       GLU   7  -5.786   6.119  -5.713
   60   1HB   GLU   7          1HB       GLU   7  -7.742   8.425  -5.979
   61   2HB   GLU   7          2HB       GLU   7  -6.362   8.036  -6.961
   62   1HG   GLU   7          1HG       GLU   7  -9.101   6.658  -6.976
   63   2HG   GLU   7          2HG       GLU   7  -8.430   7.685  -8.204
   64    H    ASN   8           H        ASN   8  -8.162   7.683  -3.621
   65    HA   ASN   8           HA       ASN   8  -5.952   9.008  -2.112
   66   1HB   ASN   8          1HB       ASN   8  -7.855  10.398  -3.025
   67   2HB   ASN   8          2HB       ASN   8  -8.967   9.545  -1.971
   68   1HD2  ASN   8          1HD2      ASN   8  -8.454  12.189   0.268
   69   2HD2  ASN   8          2HD2      ASN   8  -9.537  11.370  -0.790
   70    H    TYR   9           H        TYR   9  -7.196   6.099  -1.969
   71    HA   TYR   9           HA       TYR   9  -8.153   5.992   0.775
   72   1HB   TYR   9          1HB       TYR   9  -9.155   4.318  -0.556
   73   2HB   TYR   9          2HB       TYR   9  -7.694   4.052  -1.469
   74    HD1  TYR   9           HD1      TYR   9  -8.976   3.558   2.016
   75    HD2  TYR   9           HD2      TYR   9  -6.512   2.103  -1.176
   76    HE1  TYR   9           HE1      TYR   9  -8.323   1.631   3.373
   77    HE2  TYR   9           HE2      TYR   9  -5.823   0.242   0.195
   78    HH   TYR   9           HH       TYR   9  -5.612  -0.356   2.615
   79    H    ASP  10           H        ASP  10  -6.506   6.851   2.054
   80    HA   ASP  10           HA       ASP  10  -4.229   4.908   2.389
   81   1HB   ASP  10          1HB       ASP  10  -3.467   7.091   3.907
   82   2HB   ASP  10          2HB       ASP  10  -2.722   6.585   2.455
   83    H    GLY  11           H        GLY  11  -6.367   3.950   3.030
   84   1HA   GLY  11          1HA       GLY  11  -7.527   4.892   5.456
   85   2HA   GLY  11          2HA       GLY  11  -7.988   3.465   4.556
   86    H    LYS  12           H        LYS  12  -6.990   1.502   4.994
   87    HA   LYS  12           HA       LYS  12  -5.242   1.275   7.338
   88   1HB   LYS  12          1HB       LYS  12  -8.129   0.207   7.549
   89   2HB   LYS  12          2HB       LYS  12  -6.833  -0.118   8.653
   90   1HG   LYS  12          1HG       LYS  12  -7.825   1.491   9.785
   91   2HG   LYS  12          2HG       LYS  12  -6.684   2.481   8.964
   92   1HD   LYS  12          1HD       LYS  12  -8.807   2.741   7.202
   93   2HD   LYS  12          2HD       LYS  12  -9.689   2.181   8.569
   94   1HE   LYS  12          1HE       LYS  12  -9.804   4.568   8.722
   95   2HE   LYS  12          2HE       LYS  12  -8.629   4.126   9.936
   96   1HZ   LYS  12          1HZ       LYS  12  -6.920   4.616   8.074
   97   2HZ   LYS  12          2HZ       LYS  12  -8.218   5.397   7.325
   98   3HZ   LYS  12          3HZ       LYS  12  -7.773   5.936   8.778
   99    H    ILE  13           H        ILE  13  -6.922  -0.544   4.628
  100    HA   ILE  13           HA       ILE  13  -5.865  -3.005   5.663
  101    HB   ILE  13           HB       ILE  13  -6.831  -2.562   2.812
  102   1HG1  ILE  13          1HG1      ILE  13  -8.949  -3.805   4.053
  103   2HG1  ILE  13          2HG1      ILE  13  -8.453  -2.734   5.326
  104   1HG2  ILE  13          1HG2      ILE  13  -6.614  -5.080   4.495
  105   2HG2  ILE  13          2HG2      ILE  13  -7.314  -4.979   2.884
  106   3HG2  ILE  13          3HG2      ILE  13  -5.612  -4.650   3.106
  107   1HD1  ILE  13          1HD1      ILE  13  -9.049  -1.905   2.432
  108   2HD1  ILE  13          2HD1      ILE  13 -10.208  -1.793   3.739
  109   3HD1  ILE  13          3HD1      ILE  13  -8.753  -0.788   3.748
  110    H    SER  14           H        SER  14  -4.049  -3.909   5.289
  111    HA   SER  14           HA       SER  14  -2.156  -2.876   3.271
  112   1HB   SER  14          1HB       SER  14  -1.866  -1.831   5.686
  113   2HB   SER  14          2HB       SER  14  -1.345  -3.413   6.186
  114    HG   SER  14           HG       SER  14  -0.099  -1.928   4.115
  115    H    LYS  15           H        LYS  15  -3.694  -5.329   3.199
  116    HA   LYS  15           HA       LYS  15  -1.532  -7.350   3.619
  117   1HB   LYS  15          1HB       LYS  15  -4.583  -7.663   3.689
  118   2HB   LYS  15          2HB       LYS  15  -3.449  -8.974   3.674
  119   1HG   LYS  15          1HG       LYS  15  -3.849  -8.813   5.936
  120   2HG   LYS  15          2HG       LYS  15  -2.370  -7.917   5.792
  121   1HD   LYS  15          1HD       LYS  15  -3.598  -5.775   5.937
  122   2HD   LYS  15          2HD       LYS  15  -5.132  -6.589   5.759
  123   1HE   LYS  15          1HE       LYS  15  -4.779  -5.944   8.104
  124   2HE   LYS  15          2HE       LYS  15  -4.815  -7.698   7.980
  125   1HZ   LYS  15          1HZ       LYS  15  -2.300  -6.114   8.057
  126   2HZ   LYS  15          2HZ       LYS  15  -3.004  -6.875   9.398
  127   3HZ   LYS  15          3HZ       LYS  15  -2.413  -7.725   8.067
  128    H    THR  16           H        THR  16  -0.640  -8.136   1.837
  129    HA   THR  16           HA       THR  16  -1.756  -7.386  -0.688
  130    HB   THR  16           HB       THR  16   0.062  -8.314  -1.721
  131    HG1  THR  16           HG1      THR  16   0.064 -10.177   0.070
  132   1HG2  THR  16          1HG2      THR  16   0.587  -6.255  -0.511
  133   2HG2  THR  16          2HG2      THR  16   1.017  -7.162   0.946
  134   3HG2  THR  16          3HG2      THR  16   1.982  -7.320  -0.494
  135    H    MET  17           H        MET  17  -3.014  -8.518  -1.908
  136    HA   MET  17           HA       MET  17  -4.774 -10.360  -1.171
  137   1HB   MET  17          1HB       MET  17  -5.455 -10.387  -3.520
  138   2HB   MET  17          2HB       MET  17  -4.709  -8.862  -3.243
  139   1HG   MET  17          1HG       MET  17  -2.609  -9.640  -4.376
  140   2HG   MET  17          2HG       MET  17  -3.291 -11.232  -4.564
  141   1HE   MET  17          1HE       MET  17  -2.722 -11.303  -6.920
  142   2HE   MET  17          2HE       MET  17  -3.263 -10.179  -8.176
  143   3HE   MET  17          3HE       MET  17  -2.073  -9.670  -6.950
  144    H    SER  18           H        SER  18  -1.668 -11.131  -2.652
  145    HA   SER  18           HA       SER  18  -2.205 -14.045  -2.473
  146   1HB   SER  18          1HB       SER  18  -0.173 -13.869  -4.204
  147   2HB   SER  18          2HB       SER  18  -1.769 -13.321  -4.744
  148    HG   SER  18           HG       SER  18   0.103 -11.701  -4.940
  149    H    GLY  19           H        GLY  19   0.279 -11.622  -2.298
  150   1HA   GLY  19          1HA       GLY  19   2.357 -13.200  -1.306
  151   2HA   GLY  19          2HA       GLY  19   2.324 -11.450  -1.284
  152    H    LEU  20           H        LEU  20   2.094 -10.394   0.732
  153    HA   LEU  20           HA       LEU  20   1.727 -12.030   3.155
  154   1HB   LEU  20          1HB       LEU  20   4.144 -10.247   2.443
  155   2HB   LEU  20          2HB       LEU  20   4.017 -11.104   3.941
  156    HG   LEU  20           HG       LEU  20   4.225 -12.462   1.220
  157   1HD1  LEU  20          1HD1      LEU  20   6.250 -11.153   1.731
  158   2HD1  LEU  20          2HD1      LEU  20   6.440 -12.078   3.230
  159   3HD1  LEU  20          3HD1      LEU  20   6.522 -12.891   1.674
  160   1HD2  LEU  20          1HD2      LEU  20   3.153 -13.904   2.979
  161   2HD2  LEU  20          2HD2      LEU  20   4.731 -14.501   2.493
  162   3HD2  LEU  20          3HD2      LEU  20   4.549 -13.640   4.020
  163    H    GLU  21           H        GLU  21   2.548 -10.211   4.964
  164    HA   GLU  21           HA       GLU  21   0.573  -8.079   4.822
  165   1HB   GLU  21          1HB       GLU  21   1.247  -9.277   6.954
  166   2HB   GLU  21          2HB       GLU  21   2.858  -8.622   6.802
  167   1HG   GLU  21          1HG       GLU  21   1.802  -7.219   8.397
  168   2HG   GLU  21          2HG       GLU  21   1.772  -6.250   6.946
  169    H    CYS  22           H        CYS  22   1.046  -5.887   4.406
  170    HA   CYS  22           HA       CYS  22   3.462  -5.510   2.830
  171   1HB   CYS  22          1HB       CYS  22   1.074  -3.845   3.460
  172   2HB   CYS  22          2HB       CYS  22   2.503  -3.044   2.791
  173    H    GLN  23           H        GLN  23   4.843  -4.001   2.971
  174    HA   GLN  23           HA       GLN  23   6.115  -3.469   5.568
  175   1HB   GLN  23          1HB       GLN  23   7.366  -4.792   3.969
  176   2HB   GLN  23          2HB       GLN  23   6.880  -3.804   2.631
  177   1HG   GLN  23          1HG       GLN  23   8.508  -2.230   4.548
  178   2HG   GLN  23          2HG       GLN  23   9.326  -3.677   3.992
  179   1HE2  GLN  23          1HE2      GLN  23   8.406  -0.653   1.396
  180   2HE2  GLN  23          2HE2      GLN  23   7.633  -0.722   2.912
  181    H    ALA  24           H        ALA  24   6.562  -1.429   6.191
  182    HA   ALA  24           HA       ALA  24   4.780   0.561   5.334
  183   1HB   ALA  24          1HB       ALA  24   5.689   0.443   7.637
  184   2HB   ALA  24          2HB       ALA  24   7.304   0.858   7.049
  185   3HB   ALA  24          3HB       ALA  24   5.995   2.039   6.967
  186    H    TRP  25           H        TRP  25   5.049   2.599   4.484
  187    HA   TRP  25           HA       TRP  25   6.563   2.562   2.049
  188   1HB   TRP  25          1HB       TRP  25   4.928   4.809   3.365
  189   2HB   TRP  25          2HB       TRP  25   5.585   4.883   1.738
  190    HD1  TRP  25           HD1      TRP  25   2.677   3.388   3.696
  191    HE1  TRP  25           HE1      TRP  25   1.071   2.239   2.051
  192    HE3  TRP  25           HE3      TRP  25   5.574   3.493  -0.492
  193    HZ2  TRP  25           HZ2      TRP  25   1.052   1.495  -0.652
  194    HZ3  TRP  25           HZ3      TRP  25   4.708   2.548  -2.620
  195    HH2  TRP  25           HH2      TRP  25   2.440   1.550  -2.697
  196    H    ASP  26           H        ASP  26   7.646   3.401   5.168
  197    HA   ASP  26           HA       ASP  26   9.191   5.692   4.375
  198   1HB   ASP  26          1HB       ASP  26   9.464   3.852   6.827
  199   2HB   ASP  26          2HB       ASP  26  10.195   5.445   6.666
  200    H    SER  27           H        SER  27  11.432   4.005   6.049
  201    HA   SER  27           HA       SER  27  12.389   2.327   3.884
  202   1HB   SER  27          1HB       SER  27  13.378   4.622   3.382
  203   2HB   SER  27          2HB       SER  27  14.135   4.621   4.986
  204    HG   SER  27           HG       SER  27  15.605   3.823   3.355
  205    H    GLN  28           H        GLN  28  12.954   0.572   4.662
  206    HA   GLN  28           HA       GLN  28  14.091   0.351   7.353
  207   1HB   GLN  28          1HB       GLN  28  12.222  -1.203   8.077
  208   2HB   GLN  28          2HB       GLN  28  11.811   0.472   7.948
  209   1HG   GLN  28          1HG       GLN  28  10.761  -1.766   6.151
  210   2HG   GLN  28          2HG       GLN  28   9.947  -0.689   7.210
  211   1HE2  GLN  28          1HE2      GLN  28  10.321   0.466   3.426
  212   2HE2  GLN  28          2HE2      GLN  28  10.824  -1.095   3.910
  213    H    SER  29           H        SER  29  12.492  -1.646   4.943
  214    HA   SER  29           HA       SER  29  14.706  -3.054   4.027
  215   1HB   SER  29          1HB       SER  29  12.838  -4.807   5.744
  216   2HB   SER  29          2HB       SER  29  14.425  -5.237   5.166
  217    HG   SER  29           HG       SER  29  15.057  -3.409   6.722
  218    HA   PRO  30           HA       PRO  30  14.346  -5.714   3.113
  219   1HB   PRO  30          1HB       PRO  30  13.800  -5.763   0.159
  220   2HB   PRO  30          2HB       PRO  30  14.107  -7.106   1.249
  221   1HG   PRO  30          1HG       PRO  30  11.584  -6.592   0.378
  222   2HG   PRO  30          2HG       PRO  30  11.846  -7.045   2.057
  223   1HD   PRO  30          1HD       PRO  30  11.445  -4.245   0.956
  224   2HD   PRO  30          2HD       PRO  30  10.705  -4.983   2.389
  225    H    HIS  31           H        HIS  31  13.764  -2.790   1.274
  226    HA   HIS  31           HA       HIS  31  16.431  -1.946   1.545
  227   1HB   HIS  31          1HB       HIS  31  15.853  -3.462  -0.903
  228   2HB   HIS  31          2HB       HIS  31  16.014  -1.799  -1.394
  229    HD1  HIS  31           HD1      HIS  31  17.925  -4.131   0.946
  230    HD2  HIS  31           HD2      HIS  31  18.571  -1.114  -1.902
  231    HE1  HIS  31           HE1      HIS  31  20.456  -3.855   0.688
  232    H    ALA  32           H        ALA  32  16.649   0.198   0.284
  233    HA   ALA  32           HA       ALA  32  14.341   1.785   1.020
  234   1HB   ALA  32          1HB       ALA  32  16.717   2.599   1.293
  235   2HB   ALA  32          2HB       ALA  32  16.923   2.601  -0.455
  236   3HB   ALA  32          3HB       ALA  32  15.777   3.709   0.295
  237    H    HIS  33           H        HIS  33  12.868   0.762  -0.300
  238    HA   HIS  33           HA       HIS  33  12.849   0.847  -3.174
  239   1HB   HIS  33          1HB       HIS  33  10.330   0.323  -2.824
  240   2HB   HIS  33          2HB       HIS  33  11.396  -0.729  -1.915
  241    HD1  HIS  33           HD1      HIS  33   9.465   2.523  -1.260
  242    HD2  HIS  33           HD2      HIS  33  11.096  -0.788   0.756
  243    HE1  HIS  33           HE1      HIS  33   8.831   2.753   1.152
  244    H    GLY  34           H        GLY  34  11.024   2.003  -4.369
  245   1HA   GLY  34          1HA       GLY  34  11.383   4.871  -3.956
  246   2HA   GLY  34          2HA       GLY  34  10.420   4.080  -5.228
  247    H    TYR  36           H        TYR  36   9.231   6.191  -4.315
  248    HA   TYR  36           HA       TYR  36   7.326   7.012  -3.444
  249   1HB   TYR  36          1HB       TYR  36   6.485   4.143  -2.801
  250   2HB   TYR  36          2HB       TYR  36   5.429   5.518  -2.915
  251    HD1  TYR  36           HD1      TYR  36   5.198   6.712  -5.167
  252    HD2  TYR  36           HD2      TYR  36   7.111   2.927  -4.747
  253    HE1  TYR  36           HE1      TYR  36   4.879   6.272  -7.567
  254    HE2  TYR  36           HE2      TYR  36   6.762   2.468  -7.127
  255    HH   TYR  36           HH       TYR  36   4.942   3.461  -8.951
  256    H    ILE  37           H        ILE  37   9.238   7.481  -1.886
  257    HA   ILE  37           HA       ILE  37   8.666   6.463   0.831
  258    HB   ILE  37           HB       ILE  37  10.990   8.149  -0.167
  259   1HG1  ILE  37          1HG1      ILE  37  10.869   5.177   0.529
  260   2HG1  ILE  37          2HG1      ILE  37  11.007   5.828  -1.079
  261   1HG2  ILE  37          1HG2      ILE  37  10.464   8.514   2.278
  262   2HG2  ILE  37          2HG2      ILE  37  10.635   6.786   2.549
  263   3HG2  ILE  37          3HG2      ILE  37  12.017   7.759   2.044
  264   1HD1  ILE  37          1HD1      ILE  37  13.219   6.898  -0.448
  265   2HD1  ILE  37          2HD1      ILE  37  13.120   6.080   1.114
  266   3HD1  ILE  37          3HD1      ILE  37  13.226   5.141  -0.360
  267    HA   PRO  38           HA       PRO  38   6.036  10.009   1.410
  268   1HB   PRO  38          1HB       PRO  38   7.043   9.950   4.264
  269   2HB   PRO  38          2HB       PRO  38   5.383  10.015   3.697
  270   1HG   PRO  38          1HG       PRO  38   6.587   7.694   4.620
  271   2HG   PRO  38          2HG       PRO  38   5.346   7.651   3.385
  272   1HD   PRO  38          1HD       PRO  38   8.251   7.192   3.041
  273   2HD   PRO  38          2HD       PRO  38   6.887   6.727   1.997
  274    H    SER  39           H        SER  39   9.418  10.209   2.503
  275    HA   SER  39           HA       SER  39   9.550  12.859   3.181
  276   1HB   SER  39          1HB       SER  39  11.747  11.345   1.679
  277   2HB   SER  39          2HB       SER  39  11.921  12.492   3.022
  278    HG   SER  39           HG       SER  39  12.033  10.302   3.813
  279    H    LYS  40           H        LYS  40   9.073  11.503   0.049
  280    HA   LYS  40           HA       LYS  40   9.957  14.002  -1.333
  281   1HB   LYS  40          1HB       LYS  40   9.265  11.185  -2.354
  282   2HB   LYS  40          2HB       LYS  40   9.745  12.509  -3.379
  283   1HG   LYS  40          1HG       LYS  40  11.928  12.659  -2.103
  284   2HG   LYS  40          2HG       LYS  40  11.457  11.231  -1.185
  285   1HD   LYS  40          1HD       LYS  40  11.347   9.905  -3.291
  286   2HD   LYS  40          2HD       LYS  40  11.767  11.326  -4.220
  287   1HE   LYS  40          1HE       LYS  40  13.969  11.474  -2.984
  288   2HE   LYS  40          2HE       LYS  40  13.559  10.007  -2.107
  289   1HZ   LYS  40          1HZ       LYS  40  13.880  10.238  -5.034
  290   2HZ   LYS  40          2HZ       LYS  40  15.000   9.582  -3.946
  291   3HZ   LYS  40          3HZ       LYS  40  13.507   8.819  -4.185
  292    H    PHE  41           H        PHE  41   7.242  13.059   0.170
  293    HA   PHE  41           HA       PHE  41   5.473  13.996  -2.046
  294   1HB   PHE  41          1HB       PHE  41   4.922  11.973   0.148
  295   2HB   PHE  41          2HB       PHE  41   3.696  12.641  -0.905
  296    HD1  PHE  41           HD1      PHE  41   6.815  10.654  -0.902
  297    HD2  PHE  41           HD2      PHE  41   3.472  11.961  -3.185
  298    HE1  PHE  41           HE1      PHE  41   7.410   9.066  -2.655
  299    HE2  PHE  41           HE2      PHE  41   4.034  10.337  -4.945
  300    HZ   PHE  41           HZ       PHE  41   6.031   8.902  -4.712
  301    HA   PRO  42           HA       PRO  42   4.325  17.089   1.118
  302   1HB   PRO  42          1HB       PRO  42   3.255  18.910  -0.678
  303   2HB   PRO  42          2HB       PRO  42   4.965  18.837  -0.285
  304   1HG   PRO  42          1HG       PRO  42   3.596  17.661  -2.700
  305   2HG   PRO  42          2HG       PRO  42   5.104  18.565  -2.655
  306   1HD   PRO  42          1HD       PRO  42   4.987  15.811  -2.762
  307   2HD   PRO  42          2HD       PRO  42   6.323  16.631  -1.946
  308    H    ASN  43           H        ASN  43   2.947  15.092  -1.255
  309    HA   ASN  43           HA       ASN  43   0.162  15.606  -0.580
  310   1HB   ASN  43          1HB       ASN  43   1.066  14.726  -2.856
  311   2HB   ASN  43          2HB       ASN  43   1.423  13.205  -2.072
  312   1HD2  ASN  43          1HD2      ASN  43  -2.056  13.547  -3.758
  313   2HD2  ASN  43          2HD2      ASN  43  -0.554  14.243  -4.239
  314    H    LYS  44           H        LYS  44  -1.105  13.820   0.509
  315    HA   LYS  44           HA       LYS  44   0.594  12.513   2.589
  316   1HB   LYS  44          1HB       LYS  44  -1.105  12.759   4.121
  317   2HB   LYS  44          2HB       LYS  44  -1.241  14.227   3.217
  318   1HG   LYS  44          1HG       LYS  44  -3.116  11.803   3.154
  319   2HG   LYS  44          2HG       LYS  44  -3.407  13.376   3.765
  320   1HD   LYS  44          1HD       LYS  44  -4.495  13.768   1.868
  321   2HD   LYS  44          2HD       LYS  44  -2.948  14.101   1.176
  322   1HE   LYS  44          1HE       LYS  44  -4.390  12.599  -0.210
  323   2HE   LYS  44          2HE       LYS  44  -2.897  11.797   0.163
  324   1HZ   LYS  44          1HZ       LYS  44  -5.219  11.327   1.901
  325   2HZ   LYS  44          2HZ       LYS  44  -5.158  10.629   0.385
  326   3HZ   LYS  44          3HZ       LYS  44  -3.980  10.270   1.522
  327    H    ASN  45           H        ASN  45   0.184  11.561  -0.145
  328    HA   ASN  45           HA       ASN  45  -1.781   9.552  -0.225
  329   1HB   ASN  45          1HB       ASN  45  -0.577   8.597  -2.155
  330   2HB   ASN  45          2HB       ASN  45  -0.784  10.336  -2.309
  331   1HD2  ASN  45          1HD2      ASN  45   2.787   9.362  -3.153
  332   2HD2  ASN  45          2HD2      ASN  45   1.311   8.713  -3.748
  333    H    LEU  46           H        LEU  46   1.752   9.110   0.373
  334    HA   LEU  46           HA       LEU  46   1.228   6.349   1.140
  335   1HB   LEU  46          1HB       LEU  46   3.698   8.059   1.755
  336   2HB   LEU  46          2HB       LEU  46   3.552   6.365   2.087
  337    HG   LEU  46           HG       LEU  46   4.575   6.039   0.158
  338   1HD1  LEU  46          1HD1      LEU  46   2.297   5.205  -0.449
  339   2HD1  LEU  46          2HD1      LEU  46   1.957   6.747  -1.232
  340   3HD1  LEU  46          3HD1      LEU  46   3.242   5.713  -1.834
  341   1HD2  LEU  46          1HD2      LEU  46   5.268   8.328  -0.125
  342   2HD2  LEU  46          2HD2      LEU  46   4.832   7.637  -1.679
  343   3HD2  LEU  46          3HD2      LEU  46   3.734   8.757  -0.879
  344    H    LYS  47           H        LYS  47   1.854   5.492   3.341
  345    HA   LYS  47           HA       LYS  47   1.300   7.291   5.495
  346   1HB   LYS  47          1HB       LYS  47  -0.984   6.560   4.455
  347   2HB   LYS  47          2HB       LYS  47  -0.755   5.026   5.158
  348   1HG   LYS  47          1HG       LYS  47  -1.321   5.856   7.260
  349   2HG   LYS  47          2HG       LYS  47  -0.197   7.166   7.137
  350   1HD   LYS  47          1HD       LYS  47  -3.023   7.177   5.966
  351   2HD   LYS  47          2HD       LYS  47  -2.523   7.911   7.445
  352   1HE   LYS  47          1HE       LYS  47  -2.581   9.725   5.963
  353   2HE   LYS  47          2HE       LYS  47  -0.869   9.385   6.121
  354   1HZ   LYS  47          1HZ       LYS  47  -2.607   8.621   3.839
  355   2HZ   LYS  47          2HZ       LYS  47  -1.562   9.877   3.854
  356   3HZ   LYS  47          3HZ       LYS  47  -0.903   8.374   3.931
  357    H    LYS  48           H        LYS  48   0.367   4.513   6.844
  358    HA   LYS  48           HA       LYS  48   2.988   3.990   7.822
  359   1HB   LYS  48          1HB       LYS  48   0.826   1.875   8.221
  360   2HB   LYS  48          2HB       LYS  48   2.055   2.373   9.294
  361   1HG   LYS  48          1HG       LYS  48  -0.441   3.953   8.447
  362   2HG   LYS  48          2HG       LYS  48  -0.318   2.934   9.848
  363   1HD   LYS  48          1HD       LYS  48   1.306   4.428  10.897
  364   2HD   LYS  48          2HD       LYS  48   1.379   5.434   9.471
  365   1HE   LYS  48          1HE       LYS  48  -0.161   6.350  11.284
  366   2HE   LYS  48          2HE       LYS  48  -0.941   6.150   9.724
  367   1HZ   LYS  48          1HZ       LYS  48  -1.142   4.230  11.956
  368   2HZ   LYS  48          2HZ       LYS  48  -2.310   5.375  11.517
  369   3HZ   LYS  48          3HZ       LYS  48  -1.937   4.108  10.472
  370    H    ASN  49           H        ASN  49   1.010   1.293   6.614
  371    HA   ASN  49           HA       ASN  49   2.839   0.702   4.381
  372   1HB   ASN  49          1HB       ASN  49   2.678  -1.720   5.085
  373   2HB   ASN  49          2HB       ASN  49   3.455  -0.758   6.334
  374   1HD2  ASN  49          1HD2      ASN  49   1.030  -3.078   7.897
  375   2HD2  ASN  49          2HD2      ASN  49   2.368  -3.265   6.836
  376    H    TYR  50           H        TYR  50  -0.103   1.607   5.281
  377    HA   TYR  50           HA       TYR  50  -1.968  -0.116   4.202
  378   1HB   TYR  50          1HB       TYR  50  -2.095   2.924   3.886
  379   2HB   TYR  50          2HB       TYR  50  -3.460   1.843   3.913
  380    HD1  TYR  50           HD1      TYR  50  -2.115   0.205   6.455
  381    HD2  TYR  50           HD2      TYR  50  -3.164   4.268   5.574
  382    HE1  TYR  50           HE1      TYR  50  -2.331   0.654   8.816
  383    HE2  TYR  50           HE2      TYR  50  -3.419   4.710   7.959
  384    HH   TYR  50           HH       TYR  50  -3.550   2.366  10.296
  385    H    CYS  51           H        CYS  51  -2.742  -0.680   2.220
  386    HA   CYS  51           HA       CYS  51  -1.020  -0.369   0.014
  387   1HB   CYS  51          1HB       CYS  51  -3.997  -1.076  -0.075
  388   2HB   CYS  51          2HB       CYS  51  -2.769  -1.594  -1.204
  389    H    ARG  52           H        ARG  52  -0.923   1.100  -1.639
  390    HA   ARG  52           HA       ARG  52  -3.103   3.099  -1.827
  391   1HB   ARG  52          1HB       ARG  52  -0.083   3.682  -2.083
  392   2HB   ARG  52          2HB       ARG  52  -1.345   4.887  -2.206
  393   1HG   ARG  52          1HG       ARG  52  -0.606   3.379   0.285
  394   2HG   ARG  52          2HG       ARG  52  -0.268   5.042  -0.070
  395   1HD   ARG  52          1HD       ARG  52  -3.119   3.915   0.214
  396   2HD   ARG  52          2HD       ARG  52  -2.204   4.777   1.421
  397    HE   ARG  52           HE       ARG  52  -2.404   6.747   0.349
  398   1HH1  ARG  52          1HH1      ARG  52  -4.297   4.340  -1.306
  399   2HH1  ARG  52          2HH1      ARG  52  -4.862   5.332  -2.600
  400   1HH2  ARG  52          1HH2      ARG  52  -3.571   8.172  -0.830
  401   2HH2  ARG  52          2HH2      ARG  52  -4.242   7.714  -2.384
  402    H    ASN  53           H        ASN  53  -2.271   4.591  -3.862
  403    HA   ASN  53           HA       ASN  53  -1.658   2.781  -6.080
  404   1HB   ASN  53          1HB       ASN  53  -4.357   3.825  -5.474
  405   2HB   ASN  53          2HB       ASN  53  -3.842   4.621  -6.941
  406   1HD2  ASN  53          1HD2      ASN  53  -5.311   1.957  -8.555
  407   2HD2  ASN  53          2HD2      ASN  53  -5.632   3.519  -7.867
  408    HA   PRO  54           HA       PRO  54   0.406   6.967  -5.695
  409   1HB   PRO  54          1HB       PRO  54   2.850   5.280  -6.275
  410   2HB   PRO  54          2HB       PRO  54   2.707   6.596  -5.119
  411   1HG   PRO  54          1HG       PRO  54   2.771   4.024  -4.280
  412   2HG   PRO  54          2HG       PRO  54   1.603   5.127  -3.550
  413   1HD   PRO  54          1HD       PRO  54   1.090   3.139  -5.775
  414   2HD   PRO  54          2HD       PRO  54   0.177   3.402  -4.304
  415    H    ASP  55           H        ASP  55   0.808   4.351  -7.959
  416    HA   ASP  55           HA       ASP  55   1.200   6.178 -10.261
  417   1HB   ASP  55          1HB       ASP  55   2.252   4.008 -11.270
  418   2HB   ASP  55          2HB       ASP  55   3.156   4.802  -9.999
  419    H    ARG  56           H        ARG  56  -1.104   5.183  -8.702
  420    HA   ARG  56           HA       ARG  56  -2.873   3.982  -8.798
  421   1HB   ARG  56          1HB       ARG  56  -4.614   5.056  -9.741
  422   2HB   ARG  56          2HB       ARG  56  -3.463   6.290  -9.456
  423   1HG   ARG  56          1HG       ARG  56  -3.948   5.036 -12.193
  424   2HG   ARG  56          2HG       ARG  56  -4.656   6.507 -11.634
  425   1HD   ARG  56          1HD       ARG  56  -2.624   7.737 -11.701
  426   2HD   ARG  56          2HD       ARG  56  -1.605   6.323 -11.766
  427    HE   ARG  56           HE       ARG  56  -2.939   7.627 -13.910
  428   1HH1  ARG  56          1HH1      ARG  56  -1.589   4.497 -12.791
  429   2HH1  ARG  56          2HH1      ARG  56  -1.447   3.835 -14.351
  430   1HH2  ARG  56          1HH2      ARG  56  -2.631   6.718 -16.034
  431   2HH2  ARG  56          2HH2      ARG  56  -1.984   5.141 -16.243
  432    H    GLU  57           H        GLU  57  -2.336   2.000  -8.923
  433    HA   GLU  57           HA       GLU  57  -2.120   0.532 -11.417
  434   1HB   GLU  57          1HB       GLU  57  -0.761   0.120  -9.311
  435   2HB   GLU  57          2HB       GLU  57  -2.240  -0.180  -8.441
  436   1HG   GLU  57          1HG       GLU  57  -0.999  -2.245  -8.865
  437   2HG   GLU  57          2HG       GLU  57  -2.595  -2.325  -9.534
  438    H    LEU  58           H        LEU  58  -3.539  -1.632 -11.186
  439    HA   LEU  58           HA       LEU  58  -6.267  -0.856 -11.508
  440   1HB   LEU  58          1HB       LEU  58  -5.301  -2.872 -12.574
  441   2HB   LEU  58          2HB       LEU  58  -5.004  -3.612 -11.030
  442    HG   LEU  58           HG       LEU  58  -7.440  -3.732 -10.586
  443   1HD1  LEU  58          1HD1      LEU  58  -7.761  -2.624 -13.417
  444   2HD1  LEU  58          2HD1      LEU  58  -9.059  -3.314 -12.448
  445   3HD1  LEU  58          3HD1      LEU  58  -8.277  -1.834 -11.926
  446   1HD2  LEU  58          1HD2      LEU  58  -6.272  -5.657 -11.609
  447   2HD2  LEU  58          2HD2      LEU  58  -7.930  -5.550 -12.187
  448   3HD2  LEU  58          3HD2      LEU  58  -6.603  -5.021 -13.219
  449    H    ARG  59           H        ARG  59  -5.033  -3.092  -9.018
  450    HA   ARG  59           HA       ARG  59  -7.036  -2.043  -7.125
  451   1HB   ARG  59          1HB       ARG  59  -6.927  -4.522  -7.863
  452   2HB   ARG  59          2HB       ARG  59  -5.462  -4.704  -6.956
  453   1HG   ARG  59          1HG       ARG  59  -6.683  -4.265  -4.852
  454   2HG   ARG  59          2HG       ARG  59  -8.121  -3.828  -5.769
  455   1HD   ARG  59          1HD       ARG  59  -8.073  -6.294  -6.678
  456   2HD   ARG  59          2HD       ARG  59  -6.908  -6.591  -5.368
  457    HE   ARG  59           HE       ARG  59  -9.263  -5.109  -4.627
  458   1HH1  ARG  59          1HH1      ARG  59  -7.972  -8.358  -5.140
  459   2HH1  ARG  59          2HH1      ARG  59  -8.806  -9.083  -3.803
  460   1HH2  ARG  59          1HH2      ARG  59 -10.615  -6.196  -2.921
  461   2HH2  ARG  59          2HH2      ARG  59 -10.280  -7.843  -2.552
  462    HA   PRO  61           HA       PRO  61  -3.720   0.048  -5.070
  463   1HB   PRO  61          1HB       PRO  61  -4.421  -0.151  -2.332
  464   2HB   PRO  61          2HB       PRO  61  -5.141   0.954  -3.487
  465   1HG   PRO  61          1HG       PRO  61  -6.139  -1.750  -2.621
  466   2HG   PRO  61          2HG       PRO  61  -7.076  -0.257  -2.767
  467   1HD   PRO  61          1HD       PRO  61  -7.118  -2.214  -4.673
  468   2HD   PRO  61          2HD       PRO  61  -7.166  -0.548  -5.192
  469    H    TRP  62           H        TRP  62  -1.697  -0.383  -4.363
  470    HA   TRP  62           HA       TRP  62  -1.144  -3.123  -3.307
  471   1HB   TRP  62          1HB       TRP  62   0.845  -3.190  -4.841
  472   2HB   TRP  62          2HB       TRP  62  -0.613  -2.918  -5.762
  473    HD1  TRP  62           HD1      TRP  62  -0.968  -0.487  -6.868
  474    HE1  TRP  62           HE1      TRP  62   0.680   1.416  -7.414
  475    HE3  TRP  62           HE3      TRP  62   2.899  -1.996  -3.987
  476    HZ2  TRP  62           HZ2      TRP  62   3.271   2.230  -6.511
  477    HZ3  TRP  62           HZ3      TRP  62   4.932  -0.628  -3.780
  478    HH2  TRP  62           HH2      TRP  62   5.120   1.488  -5.040
  479    H    CYS  63           H        CYS  63   1.113  -3.298  -2.473
  480    HA   CYS  63           HA       CYS  63   2.504  -0.912  -1.667
  481   1HB   CYS  63          1HB       CYS  63   2.452  -1.665   0.874
  482   2HB   CYS  63          2HB       CYS  63   1.142  -0.708   0.264
  483    H    PHE  64           H        PHE  64   4.474  -1.546  -0.396
  484    HA   PHE  64           HA       PHE  64   5.655  -3.779  -1.849
  485   1HB   PHE  64          1HB       PHE  64   6.800  -1.868   0.249
  486   2HB   PHE  64          2HB       PHE  64   7.760  -3.078  -0.578
  487    HD1  PHE  64           HD1      PHE  64   7.567  -3.058  -3.224
  488    HD2  PHE  64           HD2      PHE  64   6.786   0.310  -0.702
  489    HE1  PHE  64           HE1      PHE  64   7.979  -1.521  -5.125
  490    HE2  PHE  64           HE2      PHE  64   7.227   1.818  -2.597
  491    HZ   PHE  64           HZ       PHE  64   7.852   0.883  -4.807
  492    H    THR  65           H        THR  65   6.714  -5.597  -0.749
  493    HA   THR  65           HA       THR  65   5.226  -6.264   1.761
  494    HB   THR  65           HB       THR  65   4.957  -8.390   1.126
  495    HG1  THR  65           HG1      THR  65   7.236  -8.415  -0.500
  496   1HG2  THR  65          1HG2      THR  65   3.981  -6.978  -0.720
  497   2HG2  THR  65          2HG2      THR  65   5.348  -7.338  -1.724
  498   3HG2  THR  65          3HG2      THR  65   4.305  -8.650  -1.184
  499    H    THR  66           H        THR  66   6.436  -8.015   3.093
  500    HA   THR  66           HA       THR  66   8.879  -6.720   3.889
  501    HB   THR  66           HB       THR  66   8.724  -8.602   5.658
  502    HG1  THR  66           HG1      THR  66   7.550 -10.085   4.297
  503   1HG2  THR  66          1HG2      THR  66   7.607  -6.389   6.038
  504   2HG2  THR  66          2HG2      THR  66   6.156  -6.978   5.230
  505   3HG2  THR  66          3HG2      THR  66   6.686  -7.722   6.729
  506    H    ASP  67           H        ASP  67   8.098  -9.187   1.598
  507    HA   ASP  67           HA       ASP  67  10.481 -10.763   2.118
  508   1HB   ASP  67          1HB       ASP  67   8.450 -11.866   1.412
  509   2HB   ASP  67          2HB       ASP  67   8.410 -10.963  -0.098
  510    HA   PRO  68           HA       PRO  68  13.095  -8.248  -0.599
  511   1HB   PRO  68          1HB       PRO  68  14.734 -10.786  -0.671
  512   2HB   PRO  68          2HB       PRO  68  15.277  -9.146  -0.349
  513   1HG   PRO  68          1HG       PRO  68  14.958 -10.966   1.670
  514   2HG   PRO  68          2HG       PRO  68  14.523  -9.279   1.914
  515   1HD   PRO  68          1HD       PRO  68  12.655 -11.597   1.395
  516   2HD   PRO  68          2HD       PRO  68  12.457 -10.177   2.450
  517    H    ASN  69           H        ASN  69  11.353 -10.983  -1.667
  518    HA   ASN  69           HA       ASN  69  12.351 -10.502  -4.459
  519   1HB   ASN  69          1HB       ASN  69  11.234 -13.114  -3.287
  520   2HB   ASN  69          2HB       ASN  69  11.548 -12.833  -4.982
  521   1HD2  ASN  69          1HD2      ASN  69  15.210 -12.425  -3.672
  522   2HD2  ASN  69          2HD2      ASN  69  14.085 -11.119  -3.755
  523    H    LYS  70           H        LYS  70   9.501 -11.069  -2.378
  524    HA   LYS  70           HA       LYS  70   7.819 -10.291  -4.666
  525   1HB   LYS  70          1HB       LYS  70   7.035 -11.943  -2.797
  526   2HB   LYS  70          2HB       LYS  70   6.954 -10.601  -1.749
  527   1HG   LYS  70          1HG       LYS  70   4.757 -10.805  -2.532
  528   2HG   LYS  70          2HG       LYS  70   5.336  -9.450  -3.451
  529   1HD   LYS  70          1HD       LYS  70   5.680 -12.185  -4.686
  530   2HD   LYS  70          2HD       LYS  70   4.044 -11.665  -4.490
  531   1HE   LYS  70          1HE       LYS  70   6.080  -9.912  -5.969
  532   2HE   LYS  70          2HE       LYS  70   5.151 -11.179  -6.750
  533   1HZ   LYS  70          1HZ       LYS  70   3.124 -10.062  -6.018
  534   2HZ   LYS  70          2HZ       LYS  70   4.067  -8.770  -5.445
  535   3HZ   LYS  70          3HZ       LYS  70   4.060  -9.137  -7.069
  536    H    ARG  71           H        ARG  71   9.011  -8.375  -4.966
  537    HA   ARG  71           HA       ARG  71   9.367  -6.326  -3.089
  538   1HB   ARG  71          1HB       ARG  71  10.535  -6.320  -5.188
  539   2HB   ARG  71          2HB       ARG  71   9.075  -6.237  -6.129
  540   1HG   ARG  71          1HG       ARG  71   8.645  -3.939  -5.388
  541   2HG   ARG  71          2HG       ARG  71   9.987  -3.972  -4.281
  542   1HD   ARG  71          1HD       ARG  71  11.580  -3.702  -5.984
  543   2HD   ARG  71          2HD       ARG  71  10.609  -4.570  -7.195
  544    HE   ARG  71           HE       ARG  71   9.047  -2.475  -6.827
  545   1HH1  ARG  71          1HH1      ARG  71  12.493  -2.698  -7.453
  546   2HH1  ARG  71          2HH1      ARG  71  12.569  -1.254  -8.390
  547   1HH2  ARG  71          1HH2      ARG  71   9.082  -0.621  -8.010
  548   2HH2  ARG  71          2HH2      ARG  71  10.528   0.015  -8.692
  549    H    TRP  72           H        TRP  72   6.964  -5.879  -5.711
  550    HA   TRP  72           HA       TRP  72   5.186  -4.575  -3.715
  551   1HB   TRP  72          1HB       TRP  72   4.115  -3.423  -5.545
  552   2HB   TRP  72          2HB       TRP  72   5.815  -3.117  -5.694
  553    HD1  TRP  72           HD1      TRP  72   7.189  -4.718  -7.565
  554    HE1  TRP  72           HE1      TRP  72   6.382  -5.354  -9.916
  555    HE3  TRP  72           HE3      TRP  72   2.231  -4.000  -6.875
  556    HZ2  TRP  72           HZ2      TRP  72   3.884  -5.436 -11.309
  557    HZ3  TRP  72           HZ3      TRP  72   0.644  -4.317  -8.760
  558    HH2  TRP  72           HH2      TRP  72   1.468  -4.979 -10.964
  559    H    GLU  73           H        GLU  73   2.851  -4.998  -3.842
  560    HA   GLU  73           HA       GLU  73   2.019  -7.072  -5.598
  561   1HB   GLU  73          1HB       GLU  73   3.053  -8.465  -3.614
  562   2HB   GLU  73          2HB       GLU  73   1.936  -7.677  -2.587
  563   1HG   GLU  73          1HG       GLU  73   1.083  -9.918  -3.162
  564   2HG   GLU  73          2HG       GLU  73   0.001  -8.763  -3.860
  565    H    LEU  74           H        LEU  74  -0.159  -7.346  -5.698
  566    HA   LEU  74           HA       LEU  74  -1.642  -4.922  -5.041
  567   1HB   LEU  74          1HB       LEU  74  -2.775  -7.594  -6.030
  568   2HB   LEU  74          2HB       LEU  74  -3.607  -6.068  -6.055
  569    HG   LEU  74           HG       LEU  74  -1.162  -6.802  -7.716
  570   1HD1  LEU  74          1HD1      LEU  74  -3.290  -7.830  -8.490
  571   2HD1  LEU  74          2HD1      LEU  74  -4.046  -6.241  -8.550
  572   3HD1  LEU  74          3HD1      LEU  74  -2.712  -6.625  -9.635
  573   1HD2  LEU  74          1HD2      LEU  74  -2.665  -4.143  -7.570
  574   2HD2  LEU  74          2HD2      LEU  74  -0.965  -4.428  -7.217
  575   3HD2  LEU  74          3HD2      LEU  74  -1.557  -4.576  -8.862
  576    H    CYS  75           H        CYS  75  -3.272  -4.660  -3.563
  577    HA   CYS  75           HA       CYS  75  -3.386  -6.629  -1.361
  578   1HB   CYS  75          1HB       CYS  75  -4.227  -3.710  -1.531
  579   2HB   CYS  75          2HB       CYS  75  -4.399  -4.715  -0.107
  580    H    ASP  76           H        ASP  76  -5.273  -7.093  -0.284
  581    HA   ASP  76           HA       ASP  76  -7.513  -7.170  -2.229
  582   1HB   ASP  76          1HB       ASP  76  -6.703  -9.374  -1.218
  583   2HB   ASP  76          2HB       ASP  76  -7.453  -8.894   0.284
  584    H    ILE  77           H        ILE  77  -8.364  -5.290  -2.058
  585    HA   ILE  77           HA       ILE  77  -9.116  -4.225   0.597
  586    HB   ILE  77           HB       ILE  77  -8.543  -3.018  -2.093
  587   1HG1  ILE  77          1HG1      ILE  77  -7.363  -1.334  -0.880
  588   2HG1  ILE  77          2HG1      ILE  77  -8.074  -1.708   0.620
  589   1HG2  ILE  77          1HG2      ILE  77 -10.503  -1.693  -0.202
  590   2HG2  ILE  77          2HG2      ILE  77  -9.655  -0.858  -1.495
  591   3HG2  ILE  77          3HG2      ILE  77 -10.801  -2.139  -1.874
  592   1HD1  ILE  77          1HD1      ILE  77  -6.272  -3.622  -0.892
  593   2HD1  ILE  77          2HD1      ILE  77  -5.722  -2.550   0.411
  594   3HD1  ILE  77          3HD1      ILE  77  -6.851  -3.850   0.760
  595    HA   PRO  78           HA       PRO  78 -13.283  -5.527  -0.274
  596   1HB   PRO  78          1HB       PRO  78 -14.603  -4.227   1.778
  597   2HB   PRO  78          2HB       PRO  78 -13.494  -5.564   2.045
  598   1HG   PRO  78          1HG       PRO  78 -12.894  -2.620   2.267
  599   2HG   PRO  78          2HG       PRO  78 -12.456  -3.869   3.435
  600   1HD   PRO  78          1HD       PRO  78 -10.724  -2.891   1.544
  601   2HD   PRO  78          2HD       PRO  78 -10.629  -4.572   2.092
  602    H    ARG  79           H        ARG  79 -14.759  -4.945  -1.628
  603    HA   ARG  79           HA       ARG  79 -14.873  -2.277  -2.729
  604   1HB   ARG  79          1HB       ARG  79 -15.340  -4.192  -4.147
  605   2HB   ARG  79          2HB       ARG  79 -16.559  -4.819  -3.073
  606   1HG   ARG  79          1HG       ARG  79 -18.152  -3.107  -3.634
  607   2HG   ARG  79          2HG       ARG  79 -16.951  -2.116  -4.390
  608   1HD   ARG  79          1HD       ARG  79 -17.928  -4.842  -5.443
  609   2HD   ARG  79          2HD       ARG  79 -18.405  -3.286  -6.111
  610    HE   ARG  79           HE       ARG  79 -16.039  -4.772  -6.629
  611   1HH1  ARG  79          1HH1      ARG  79 -17.333  -1.481  -6.374
  612   2HH1  ARG  79          2HH1      ARG  79 -15.922  -0.741  -7.083
  613   1HH2  ARG  79          1HH2      ARG  79 -14.224  -3.664  -7.781
  614   2HH2  ARG  79          2HH2      ARG  79 -14.242  -1.925  -7.810
  615    H    CYS  80           H        CYS  80 -16.401  -0.672  -2.371
  616    HA   CYS  80           HA       CYS  80 -17.978  -0.829   0.077
  617   1HB   CYS  80          1HB       CYS  80 -18.221   1.128  -2.271
  618   2HB   CYS  80          2HB       CYS  80 -19.046   1.303  -0.741
  619    H    THR  81           H        THR  81 -19.499  -2.392   0.168
  620    HA   THR  81           HA       THR  81 -21.877  -2.092  -1.310
  621    HB   THR  81           HB       THR  81 -20.626  -3.222  -3.118
  622    HG1  THR  81           HG1      THR  81 -22.546  -4.807  -1.852
  623   1HG2  THR  81          1HG2      THR  81 -18.884  -4.434  -1.823
  624   2HG2  THR  81          2HG2      THR  81 -20.093  -5.527  -1.172
  625   3HG2  THR  81          3HG2      THR  81 -19.743  -5.524  -2.897
  626    H1   AMH  84           H1       AMH  84   5.818  -1.943  -9.591
  627   1H2   AMH  84          1H2       AMH  84   6.324   0.279 -10.653
  628   2H2   AMH  84          2H2       AMH  84   5.401   1.051  -9.370
  629   1H3   AMH  84          1H3       AMH  84   4.066   0.752 -11.493
  630   2H3   AMH  84          2H3       AMH  84   4.290  -0.988 -11.351
  631    H4   AMH  84           H4       AMH  84   2.746   0.743  -9.370
  632   1H5   AMH  84          1H5       AMH  84   2.354  -1.441  -8.203
  633   2H5   AMH  84          2H5       AMH  84   3.293  -2.247  -9.433
  634   1H6   AMH  84          1H6       AMH  84   4.682  -1.908  -7.375
  635   2H6   AMH  84          2H6       AMH  84   4.467  -0.184  -7.533
  636   1H7   AMH  84          1H7       AMH  84   1.835  -1.614 -11.127
  637   2H7   AMH  84          2H7       AMH  84   0.822  -0.640 -10.062
  638   1HN   AMH  84          1HN       AMH  84   0.521   0.171 -12.168
  639   2HN   AMH  84          2HN       AMH  84   1.517   1.268 -11.478
  640   3HN   AMH  84          3HN       AMH  84   2.113   0.178 -12.538
  Start of MODEL    4
    1   1H    THR  -4          1H        THR  -4 -12.485   2.898   9.609
    2   2H    THR  -4          2H        THR  -4 -13.463   3.237  10.906
    3   3H    THR  -4          3H        THR  -4 -14.104   3.173   9.360
    4    HA   THR  -4           HA       THR  -4 -13.763   5.278   9.151
    5    HB   THR  -4           HB       THR  -4 -12.022   5.964  11.362
    6    HG1  THR  -4           HG1      THR  -4 -12.931   4.578  13.008
    7   1HG2  THR  -4          1HG2      THR  -4 -14.181   7.139  10.757
    8   2HG2  THR  -4          2HG2      THR  -4 -15.094   5.774  11.389
    9   3HG2  THR  -4          3HG2      THR  -4 -14.117   6.767  12.470
   10    H    SER  -3           H        SER  -3 -11.839   6.821   8.726
   11    HA   SER  -3           HA       SER  -3  -9.933   7.270   7.665
   12   1HB   SER  -3          1HB       SER  -3  -8.766   4.873   9.171
   13   2HB   SER  -3          2HB       SER  -3  -7.883   6.288   8.575
   14    HG   SER  -3           HG       SER  -3  -8.496   6.524  10.836
   15    H    GLU  -2           H        GLU  -2 -10.823   6.755   5.618
   16    HA   GLU  -2           HA       GLU  -2 -11.080   5.684   3.681
   17   1HB   GLU  -2          1HB       GLU  -2  -8.119   5.012   3.875
   18   2HB   GLU  -2          2HB       GLU  -2  -9.003   5.592   2.495
   19   1HG   GLU  -2          1HG       GLU  -2  -8.256   7.258   4.976
   20   2HG   GLU  -2          2HG       GLU  -2  -7.386   7.224   3.474
   21    H    GLU  -1           H        GLU  -1 -12.053   3.921   5.381
   22    HA   GLU  -1           HA       GLU  -1 -10.554   1.515   5.508
   23   1HB   GLU  -1          1HB       GLU  -1 -12.568   0.567   6.620
   24   2HB   GLU  -1          2HB       GLU  -1 -12.073   2.112   7.235
   25   1HG   GLU  -1          1HG       GLU  -1 -13.939   3.078   5.529
   26   2HG   GLU  -1          2HG       GLU  -1 -14.570   1.443   5.629
   27    H    CYS   1           H        CYS   1 -13.636   2.021   3.753
   28    HA   CYS   1           HA       CYS   1 -12.872  -0.319   2.086
   29   1HB   CYS   1          1HB       CYS   1 -15.252  -0.720   1.706
   30   2HB   CYS   1          2HB       CYS   1 -14.974  -0.595   3.409
   31    H    MET   2           H        MET   2 -13.341  -0.297  -0.163
   32    HA   MET   2           HA       MET   2 -13.762   2.407  -1.349
   33   1HB   MET   2          1HB       MET   2 -11.573   0.454  -2.324
   34   2HB   MET   2          2HB       MET   2 -12.035   1.946  -3.108
   35   1HG   MET   2          1HG       MET   2 -10.567   1.578  -0.493
   36   2HG   MET   2          2HG       MET   2 -10.056   2.364  -1.975
   37   1HE   MET   2          1HE       MET   2 -11.055   2.607   1.336
   38   2HE   MET   2          2HE       MET   2  -9.834   3.841   1.078
   39   3HE   MET   2          3HE       MET   2 -11.464   4.280   1.637
   40    H    HIS   3           H        HIS   3 -14.360   2.337  -3.602
   41    HA   HIS   3           HA       HIS   3 -16.180   0.139  -4.109
   42   1HB   HIS   3          1HB       HIS   3 -15.343   2.500  -5.877
   43   2HB   HIS   3          2HB       HIS   3 -16.596   1.349  -6.301
   44    HD1  HIS   3           HD1      HIS   3 -18.161   1.057  -3.625
   45    HD2  HIS   3           HD2      HIS   3 -16.718   4.707  -5.165
   46    HE1  HIS   3           HE1      HIS   3 -19.553   2.903  -2.626
   47    H    GLY   4           H        GLY   4 -12.861   0.314  -4.527
   48   1HA   GLY   4          1HA       GLY   4 -12.125  -2.002  -5.192
   49   2HA   GLY   4          2HA       GLY   4 -12.971  -1.740  -6.726
   50    H    SER   5           H        SER   5 -11.557   1.270  -5.994
   51    HA   SER   5           HA       SER   5  -9.422   0.665  -7.924
   52   1HB   SER   5          1HB       SER   5  -9.320   3.248  -7.856
   53   2HB   SER   5          2HB       SER   5 -10.853   2.548  -8.395
   54    HG   SER   5           HG       SER   5 -11.214   4.143  -6.719
   55    H    GLY   6           H        GLY   6  -9.874   2.247  -4.820
   56   1HA   GLY   6          1HA       GLY   6  -8.306   2.121  -2.947
   57   2HA   GLY   6          2HA       GLY   6  -7.087   1.504  -4.023
   58    H    GLU   7           H        GLU   7  -8.564   3.998  -5.610
   59    HA   GLU   7           HA       GLU   7  -6.443   5.659  -5.881
   60   1HB   GLU   7          1HB       GLU   7  -8.406   5.778  -7.260
   61   2HB   GLU   7          2HB       GLU   7  -9.445   6.220  -5.944
   62   1HG   GLU   7          1HG       GLU   7  -7.193   8.053  -6.933
   63   2HG   GLU   7          2HG       GLU   7  -8.808   8.082  -7.611
   64    H    ASN   8           H        ASN   8  -9.085   6.323  -3.592
   65    HA   ASN   8           HA       ASN   8  -7.404   8.328  -2.231
   66   1HB   ASN   8          1HB       ASN   8  -9.826   8.794  -2.588
   67   2HB   ASN   8          2HB       ASN   8 -10.269   7.373  -1.647
   68   1HD2  ASN   8          1HD2      ASN   8 -10.244   9.110   1.355
   69   2HD2  ASN   8          2HD2      ASN   8 -11.162   8.157   0.271
   70    H    TYR   9           H        TYR   9  -7.774   4.969  -1.998
   71    HA   TYR   9           HA       TYR   9  -7.938   4.676   0.805
   72   1HB   TYR   9          1HB       TYR   9  -8.423   2.756  -0.694
   73   2HB   TYR   9          2HB       TYR   9  -6.766   2.735  -1.275
   74    HD1  TYR   9           HD1      TYR   9  -4.957   2.038   0.227
   75    HD2  TYR   9           HD2      TYR   9  -9.027   1.856   1.464
   76    HE1  TYR   9           HE1      TYR   9  -4.288   0.885   2.257
   77    HE2  TYR   9           HE2      TYR   9  -8.400   0.682   3.481
   78    HH   TYR   9           HH       TYR   9  -5.139  -0.445   4.076
   79    H    ASP  10           H        ASP  10  -6.655   5.090   2.256
   80    HA   ASP  10           HA       ASP  10  -4.084   3.978   2.426
   81   1HB   ASP  10          1HB       ASP  10  -2.894   6.166   3.114
   82   2HB   ASP  10          2HB       ASP  10  -2.975   5.749   1.469
   83    H    GLY  11           H        GLY  11  -5.874   3.059   3.660
   84   1HA   GLY  11          1HA       GLY  11  -6.783   4.638   5.949
   85   2HA   GLY  11          2HA       GLY  11  -7.455   3.143   5.317
   86    H    LYS  12           H        LYS  12  -6.829   1.259   6.071
   87    HA   LYS  12           HA       LYS  12  -4.881   1.192   8.362
   88   1HB   LYS  12          1HB       LYS  12  -7.909   0.794   8.546
   89   2HB   LYS  12          2HB       LYS  12  -6.898   0.039   9.732
   90   1HG   LYS  12          1HG       LYS  12  -7.013   3.036   9.254
   91   2HG   LYS  12          2HG       LYS  12  -7.769   2.160  10.546
   92   1HD   LYS  12          1HD       LYS  12  -4.756   2.492  10.115
   93   2HD   LYS  12          2HD       LYS  12  -5.742   3.169  11.365
   94   1HE   LYS  12          1HE       LYS  12  -4.783   1.397  12.524
   95   2HE   LYS  12          2HE       LYS  12  -6.301   0.676  12.046
   96   1HZ   LYS  12          1HZ       LYS  12  -4.999  -0.361  10.123
   97   2HZ   LYS  12          2HZ       LYS  12  -3.621   0.276  10.892
   98   3HZ   LYS  12          3HZ       LYS  12  -4.600  -0.845  11.685
   99    H    ILE  13           H        ILE  13  -6.186  -0.562   5.853
  100    HA   ILE  13           HA       ILE  13  -5.479  -3.173   7.014
  101    HB   ILE  13           HB       ILE  13  -6.611  -2.547   4.240
  102   1HG1  ILE  13          1HG1      ILE  13  -8.763  -3.644   5.506
  103   2HG1  ILE  13          2HG1      ILE  13  -8.061  -2.834   6.871
  104   1HG2  ILE  13          1HG2      ILE  13  -6.459  -5.167   5.789
  105   2HG2  ILE  13          2HG2      ILE  13  -7.332  -4.942   4.279
  106   3HG2  ILE  13          3HG2      ILE  13  -5.597  -4.753   4.304
  107   1HD1  ILE  13          1HD1      ILE  13  -8.809  -1.543   4.184
  108   2HD1  ILE  13          2HD1      ILE  13  -9.780  -1.465   5.646
  109   3HD1  ILE  13          3HD1      ILE  13  -8.218  -0.651   5.585
  110    H    SER  14           H        SER  14  -3.726  -4.330   6.256
  111    HA   SER  14           HA       SER  14  -2.043  -3.178   4.110
  112   1HB   SER  14          1HB       SER  14  -0.734  -2.232   5.737
  113   2HB   SER  14          2HB       SER  14  -1.548  -3.052   7.029
  114    HG   SER  14           HG       SER  14  -0.187  -4.876   6.470
  115    H    LYS  15           H        LYS  15  -3.798  -5.468   4.118
  116    HA   LYS  15           HA       LYS  15  -1.785  -7.692   4.261
  117   1HB   LYS  15          1HB       LYS  15  -3.990  -7.621   5.648
  118   2HB   LYS  15          2HB       LYS  15  -4.799  -8.123   4.189
  119   1HG   LYS  15          1HG       LYS  15  -2.354  -9.541   5.377
  120   2HG   LYS  15          2HG       LYS  15  -3.958  -9.931   5.901
  121   1HD   LYS  15          1HD       LYS  15  -4.590 -10.903   3.830
  122   2HD   LYS  15          2HD       LYS  15  -3.373 -10.048   2.939
  123   1HE   LYS  15          1HE       LYS  15  -1.575 -11.367   4.167
  124   2HE   LYS  15          2HE       LYS  15  -2.846 -12.394   4.819
  125   1HZ   LYS  15          1HZ       LYS  15  -2.365 -11.851   1.970
  126   2HZ   LYS  15          2HZ       LYS  15  -1.749 -13.184   2.813
  127   3HZ   LYS  15          3HZ       LYS  15  -3.439 -13.013   2.585
  128    H    THR  16           H        THR  16  -0.968  -8.459   2.492
  129    HA   THR  16           HA       THR  16  -1.990  -7.637  -0.035
  130    HB   THR  16           HB       THR  16  -0.101  -8.334  -1.022
  131    HG1  THR  16           HG1      THR  16   0.464 -10.378  -0.405
  132   1HG2  THR  16          1HG2      THR  16   0.295  -6.455   0.513
  133   2HG2  THR  16          2HG2      THR  16   0.796  -7.563   1.796
  134   3HG2  THR  16          3HG2      THR  16   1.743  -7.432   0.334
  135    H    MET  17           H        MET  17  -3.172  -8.581  -1.334
  136    HA   MET  17           HA       MET  17  -5.087 -10.311  -0.614
  137   1HB   MET  17          1HB       MET  17  -5.857 -10.169  -2.922
  138   2HB   MET  17          2HB       MET  17  -5.066  -8.681  -2.551
  139   1HG   MET  17          1HG       MET  17  -3.043  -9.473  -3.867
  140   2HG   MET  17          2HG       MET  17  -3.854 -10.997  -4.138
  141   1HE   MET  17          1HE       MET  17  -2.892 -10.141  -6.509
  142   2HE   MET  17          2HE       MET  17  -4.220 -11.294  -6.583
  143   3HE   MET  17          3HE       MET  17  -4.210  -9.878  -7.664
  144    H    SER  18           H        SER  18  -2.094 -11.176  -2.334
  145    HA   SER  18           HA       SER  18  -2.886 -14.044  -2.235
  146   1HB   SER  18          1HB       SER  18  -1.037 -13.997  -4.180
  147   2HB   SER  18          2HB       SER  18  -2.644 -13.392  -4.495
  148    HG   SER  18           HG       SER  18  -0.544 -11.688  -3.677
  149    H    GLY  19           H        GLY  19  -1.477 -12.262  -0.118
  150   1HA   GLY  19          1HA       GLY  19   0.524 -14.329   0.420
  151   2HA   GLY  19          2HA       GLY  19   1.258 -12.869  -0.218
  152    H    LEU  20           H        LEU  20   1.720 -11.227   1.245
  153    HA   LEU  20           HA       LEU  20   1.761 -12.128   4.022
  154   1HB   LEU  20          1HB       LEU  20   3.355 -10.102   2.360
  155   2HB   LEU  20          2HB       LEU  20   3.868 -10.633   3.930
  156    HG   LEU  20           HG       LEU  20   3.570 -12.648   1.674
  157   1HD1  LEU  20          1HD1      LEU  20   6.000 -10.928   2.244
  158   2HD1  LEU  20          2HD1      LEU  20   5.945 -12.330   1.166
  159   3HD1  LEU  20          3HD1      LEU  20   5.011 -10.897   0.790
  160   1HD2  LEU  20          1HD2      LEU  20   3.793 -13.550   3.981
  161   2HD2  LEU  20          2HD2      LEU  20   5.210 -13.912   3.002
  162   3HD2  LEU  20          3HD2      LEU  20   5.277 -12.625   4.201
  163    H    GLU  21           H        GLU  21   2.611  -9.906   5.238
  164    HA   GLU  21           HA       GLU  21   0.384  -7.987   5.174
  165   1HB   GLU  21          1HB       GLU  21   0.899  -9.305   7.305
  166   2HB   GLU  21          2HB       GLU  21   2.479  -8.569   7.350
  167   1HG   GLU  21          1HG       GLU  21   0.964  -7.418   8.900
  168   2HG   GLU  21          2HG       GLU  21   1.415  -6.315   7.634
  169    H    CYS  22           H        CYS  22   1.030  -5.724   5.171
  170    HA   CYS  22           HA       CYS  22   3.391  -5.350   3.524
  171   1HB   CYS  22          1HB       CYS  22   1.083  -3.511   4.231
  172   2HB   CYS  22          2HB       CYS  22   2.527  -2.927   3.429
  173    H    GLN  23           H        GLN  23   4.825  -3.957   3.681
  174    HA   GLN  23           HA       GLN  23   6.116  -3.409   6.262
  175   1HB   GLN  23          1HB       GLN  23   7.287  -4.821   4.664
  176   2HB   GLN  23          2HB       GLN  23   6.867  -3.810   3.324
  177   1HG   GLN  23          1HG       GLN  23   8.580  -2.333   5.253
  178   2HG   GLN  23          2HG       GLN  23   9.312  -3.823   4.701
  179   1HE2  GLN  23          1HE2      GLN  23   8.571  -0.765   2.091
  180   2HE2  GLN  23          2HE2      GLN  23   7.803  -0.773   3.604
  181    H    ALA  24           H        ALA  24   6.790  -1.362   6.779
  182    HA   ALA  24           HA       ALA  24   5.028   0.669   5.998
  183   1HB   ALA  24          1HB       ALA  24   6.074   0.560   8.255
  184   2HB   ALA  24          2HB       ALA  24   7.654   0.940   7.561
  185   3HB   ALA  24          3HB       ALA  24   6.361   2.139   7.539
  186    H    TRP  25           H        TRP  25   5.297   2.700   5.097
  187    HA   TRP  25           HA       TRP  25   6.794   2.613   2.627
  188   1HB   TRP  25          1HB       TRP  25   5.154   4.880   3.886
  189   2HB   TRP  25          2HB       TRP  25   5.802   4.911   2.251
  190    HD1  TRP  25           HD1      TRP  25   2.980   3.396   4.324
  191    HE1  TRP  25           HE1      TRP  25   1.333   2.240   2.753
  192    HE3  TRP  25           HE3      TRP  25   5.684   3.577   0.007
  193    HZ2  TRP  25           HZ2      TRP  25   1.194   1.507   0.041
  194    HZ3  TRP  25           HZ3      TRP  25   4.740   2.643  -2.082
  195    HH2  TRP  25           HH2      TRP  25   2.474   1.613  -2.062
  196    H    ASP  26           H        ASP  26   7.836   3.502   5.734
  197    HA   ASP  26           HA       ASP  26   9.363   5.806   4.913
  198   1HB   ASP  26          1HB       ASP  26   9.603   4.028   7.418
  199   2HB   ASP  26          2HB       ASP  26  10.329   5.621   7.231
  200    H    SER  27           H        SER  27  11.590   4.180   6.662
  201    HA   SER  27           HA       SER  27  12.555   2.423   4.555
  202   1HB   SER  27          1HB       SER  27  13.594   4.693   4.034
  203   2HB   SER  27          2HB       SER  27  14.313   4.708   5.656
  204    HG   SER  27           HG       SER  27  15.807   3.857   4.075
  205    H    GLN  28           H        GLN  28  13.030   0.673   5.386
  206    HA   GLN  28           HA       GLN  28  14.129   0.488   8.097
  207   1HB   GLN  28          1HB       GLN  28  12.225  -0.995   8.841
  208   2HB   GLN  28          2HB       GLN  28  11.843   0.680   8.644
  209   1HG   GLN  28          1HG       GLN  28  10.768  -1.614   6.942
  210   2HG   GLN  28          2HG       GLN  28   9.970  -0.452   7.922
  211   1HE2  GLN  28          1HE2      GLN  28  10.395   0.453   4.086
  212   2HE2  GLN  28          2HE2      GLN  28  10.864  -1.085   4.665
  213    H    SER  29           H        SER  29  12.512  -1.578   5.745
  214    HA   SER  29           HA       SER  29  14.721  -3.018   4.875
  215   1HB   SER  29          1HB       SER  29  12.886  -4.741   6.647
  216   2HB   SER  29          2HB       SER  29  14.501  -5.131   6.125
  217    HG   SER  29           HG       SER  29  15.059  -3.258   7.621
  218    HA   PRO  30           HA       PRO  30  14.404  -5.674   4.107
  219   1HB   PRO  30          1HB       PRO  30  13.837  -6.003   1.187
  220   2HB   PRO  30          2HB       PRO  30  14.133  -7.230   2.409
  221   1HG   PRO  30          1HG       PRO  30  11.612  -6.774   1.464
  222   2HG   PRO  30          2HG       PRO  30  11.859  -7.106   3.175
  223   1HD   PRO  30          1HD       PRO  30  11.500  -4.399   1.851
  224   2HD   PRO  30          2HD       PRO  30  10.725  -5.018   3.325
  225    H    HIS  31           H        HIS  31  13.753  -2.876   2.086
  226    HA   HIS  31           HA       HIS  31  16.490  -2.129   2.190
  227   1HB   HIS  31          1HB       HIS  31  16.335  -3.807   0.148
  228   2HB   HIS  31          2HB       HIS  31  15.355  -2.601  -0.654
  229    HD1  HIS  31           HD1      HIS  31  18.805  -3.010   0.900
  230    HD2  HIS  31           HD2      HIS  31  16.781  -0.548  -1.839
  231    HE1  HIS  31           HE1      HIS  31  20.539  -1.480  -0.170
  232    H    ALA  32           H        ALA  32  16.747   0.031   1.098
  233    HA   ALA  32           HA       ALA  32  14.494   1.692   1.806
  234   1HB   ALA  32          1HB       ALA  32  16.894   2.384   2.161
  235   2HB   ALA  32          2HB       ALA  32  17.155   2.404   0.421
  236   3HB   ALA  32          3HB       ALA  32  16.047   3.560   1.155
  237    H    HIS  33           H        HIS  33  13.004   0.783   0.416
  238    HA   HIS  33           HA       HIS  33  13.083   1.017  -2.463
  239   1HB   HIS  33          1HB       HIS  33  10.560   0.459  -2.219
  240   2HB   HIS  33          2HB       HIS  33  11.606  -0.627  -1.327
  241    HD1  HIS  33           HD1      HIS  33   9.760   2.654  -0.524
  242    HD2  HIS  33           HD2      HIS  33  11.096  -0.900   1.291
  243    HE1  HIS  33           HE1      HIS  33   9.020   2.735   1.852
  244    H    GLY  34           H        GLY  34  11.253   2.268  -3.600
  245   1HA   GLY  34          1HA       GLY  34  11.627   5.109  -2.967
  246   2HA   GLY  34          2HA       GLY  34  10.761   4.419  -4.359
  247    H    TYR  36           H        TYR  36   9.342   6.320  -3.632
  248    HA   TYR  36           HA       TYR  36   7.353   7.065  -2.862
  249   1HB   TYR  36          1HB       TYR  36   6.646   4.206  -2.037
  250   2HB   TYR  36          2HB       TYR  36   5.526   5.495  -2.365
  251    HD1  TYR  36           HD1      TYR  36   5.103   6.185  -4.761
  252    HD2  TYR  36           HD2      TYR  36   7.728   2.985  -3.759
  253    HE1  TYR  36           HE1      TYR  36   5.019   5.377  -7.083
  254    HE2  TYR  36           HE2      TYR  36   7.657   2.164  -6.020
  255    HH   TYR  36           HH       TYR  36   6.849   2.543  -8.195
  256    H    ILE  37           H        ILE  37   9.162   7.749  -1.304
  257    HA   ILE  37           HA       ILE  37   8.746   6.723   1.434
  258    HB   ILE  37           HB       ILE  37  10.874   8.564   0.292
  259   1HG1  ILE  37          1HG1      ILE  37  11.050   5.642   1.169
  260   2HG1  ILE  37          2HG1      ILE  37  10.995   6.170  -0.485
  261   1HG2  ILE  37          1HG2      ILE  37  10.461   9.048   2.714
  262   2HG2  ILE  37          2HG2      ILE  37  10.711   7.348   3.095
  263   3HG2  ILE  37          3HG2      ILE  37  12.034   8.336   2.474
  264   1HD1  ILE  37          1HD1      ILE  37  13.137   7.468  -0.151
  265   2HD1  ILE  37          2HD1      ILE  37  13.253   6.783   1.473
  266   3HD1  ILE  37          3HD1      ILE  37  13.308   5.730   0.072
  267    HA   PRO  38           HA       PRO  38   5.796  10.000   2.008
  268   1HB   PRO  38          1HB       PRO  38   6.716  10.041   4.888
  269   2HB   PRO  38          2HB       PRO  38   5.085   9.876   4.264
  270   1HG   PRO  38          1HG       PRO  38   6.600   7.755   5.243
  271   2HG   PRO  38          2HG       PRO  38   5.355   7.540   4.036
  272   1HD   PRO  38          1HD       PRO  38   8.283   7.397   3.650
  273   2HD   PRO  38          2HD       PRO  38   6.968   6.801   2.614
  274    H    SER  39           H        SER  39   9.118  10.479   3.184
  275    HA   SER  39           HA       SER  39   9.005  13.111   3.919
  276   1HB   SER  39          1HB       SER  39  11.358  11.827   2.439
  277   2HB   SER  39          2HB       SER  39  11.403  12.962   3.803
  278    HG   SER  39           HG       SER  39  11.686  10.775   4.564
  279    H    LYS  40           H        LYS  40   8.714  11.811   0.734
  280    HA   LYS  40           HA       LYS  40   9.400  14.435  -0.533
  281   1HB   LYS  40          1HB       LYS  40   9.008  11.610  -1.680
  282   2HB   LYS  40          2HB       LYS  40   9.368  13.018  -2.641
  283   1HG   LYS  40          1HG       LYS  40  11.494  13.340  -1.283
  284   2HG   LYS  40          2HG       LYS  40  11.163  11.808  -0.480
  285   1HD   LYS  40          1HD       LYS  40  11.244  10.638  -2.682
  286   2HD   LYS  40          2HD       LYS  40  11.521  12.163  -3.491
  287   1HE   LYS  40          1HE       LYS  40  13.668  12.453  -2.177
  288   2HE   LYS  40          2HE       LYS  40  13.408  10.877  -1.444
  289   1HZ   LYS  40          1HZ       LYS  40  13.761  11.411  -4.326
  290   2HZ   LYS  40          2HZ       LYS  40  14.919  10.769  -3.269
  291   3HZ   LYS  40          3HZ       LYS  40  13.516   9.887  -3.625
  292    H    PHE  41           H        PHE  41   6.745  13.212   0.863
  293    HA   PHE  41           HA       PHE  41   4.968  14.077  -1.376
  294   1HB   PHE  41          1HB       PHE  41   4.545  11.899   0.696
  295   2HB   PHE  41          2HB       PHE  41   3.291  12.504  -0.362
  296    HD1  PHE  41           HD1      PHE  41   6.508  10.713  -0.313
  297    HD2  PHE  41           HD2      PHE  41   3.272  12.057  -2.728
  298    HE1  PHE  41           HE1      PHE  41   7.248   9.230  -2.110
  299    HE2  PHE  41           HE2      PHE  41   3.977  10.537  -4.524
  300    HZ   PHE  41           HZ       PHE  41   5.989   9.131  -4.243
  301    HA   PRO  42           HA       PRO  42   3.368  16.868   1.869
  302   1HB   PRO  42          1HB       PRO  42   2.326  18.746   0.128
  303   2HB   PRO  42          2HB       PRO  42   4.011  18.730   0.621
  304   1HG   PRO  42          1HG       PRO  42   2.851  17.642  -1.942
  305   2HG   PRO  42          2HG       PRO  42   4.296  18.628  -1.751
  306   1HD   PRO  42          1HD       PRO  42   4.348  15.882  -2.027
  307   2HD   PRO  42          2HD       PRO  42   5.590  16.729  -1.096
  308    H    ASN  43           H        ASN  43   2.308  14.769  -0.482
  309    HA   ASN  43           HA       ASN  43  -0.537  15.254  -0.362
  310   1HB   ASN  43          1HB       ASN  43   0.827  14.095  -2.263
  311   2HB   ASN  43          2HB       ASN  43   0.997  12.708  -1.215
  312   1HD2  ASN  43          1HD2      ASN  43  -2.374  13.341  -3.357
  313   2HD2  ASN  43          2HD2      ASN  43  -1.006  14.385  -3.467
  314    H    LYS  44           H        LYS  44  -1.901  13.169   0.394
  315    HA   LYS  44           HA       LYS  44  -1.074  12.746   3.215
  316   1HB   LYS  44          1HB       LYS  44  -3.318  12.073   3.657
  317   2HB   LYS  44          2HB       LYS  44  -3.465  13.446   2.603
  318   1HG   LYS  44          1HG       LYS  44  -3.930  11.936   0.666
  319   2HG   LYS  44          2HG       LYS  44  -3.725  10.540   1.691
  320   1HD   LYS  44          1HD       LYS  44  -5.632  11.252   3.131
  321   2HD   LYS  44          2HD       LYS  44  -5.856  12.638   2.097
  322   1HE   LYS  44          1HE       LYS  44  -7.434  11.187   1.230
  323   2HE   LYS  44          2HE       LYS  44  -6.110  10.881   0.130
  324   1HZ   LYS  44          1HZ       LYS  44  -5.631   8.845   1.535
  325   2HZ   LYS  44          2HZ       LYS  44  -7.085   9.216   2.350
  326   3HZ   LYS  44          3HZ       LYS  44  -7.134   8.880   0.731
  327    H    ASN  45           H        ASN  45  -0.953  11.208   0.230
  328    HA   ASN  45           HA       ASN  45  -1.809   8.746   0.451
  329   1HB   ASN  45          1HB       ASN  45  -0.208   7.985  -1.263
  330   2HB   ASN  45          2HB       ASN  45  -0.904   9.553  -1.630
  331   1HD2  ASN  45          1HD2      ASN  45   2.709   9.611  -2.477
  332   2HD2  ASN  45          2HD2      ASN  45   1.314   8.816  -3.077
  333    H    LEU  46           H        LEU  46   1.737   8.623   0.754
  334    HA   LEU  46           HA       LEU  46   1.585   6.084   1.925
  335   1HB   LEU  46          1HB       LEU  46   3.876   8.115   2.104
  336   2HB   LEU  46          2HB       LEU  46   3.987   6.449   2.556
  337    HG   LEU  46           HG       LEU  46   4.710   5.955   0.557
  338   1HD1  LEU  46          1HD1      LEU  46   2.376   5.198   0.074
  339   2HD1  LEU  46          2HD1      LEU  46   2.060   6.750  -0.711
  340   3HD1  LEU  46          3HD1      LEU  46   3.269   5.661  -1.358
  341   1HD2  LEU  46          1HD2      LEU  46   5.449   8.229   0.222
  342   2HD2  LEU  46          2HD2      LEU  46   4.906   7.550  -1.307
  343   3HD2  LEU  46          3HD2      LEU  46   3.882   8.695  -0.441
  344    H    LYS  47           H        LYS  47   1.119   5.387   3.759
  345    HA   LYS  47           HA       LYS  47   1.037   7.239   6.076
  346   1HB   LYS  47          1HB       LYS  47  -1.056   6.008   4.958
  347   2HB   LYS  47          2HB       LYS  47  -0.586   4.624   5.824
  348   1HG   LYS  47          1HG       LYS  47  -1.561   5.516   7.734
  349   2HG   LYS  47          2HG       LYS  47  -0.544   6.921   7.656
  350   1HD   LYS  47          1HD       LYS  47  -3.225   6.536   6.256
  351   2HD   LYS  47          2HD       LYS  47  -2.881   7.564   7.604
  352   1HE   LYS  47          1HE       LYS  47  -2.791   9.189   6.013
  353   2HE   LYS  47          2HE       LYS  47  -1.118   8.712   5.866
  354   1HZ   LYS  47          1HZ       LYS  47  -3.333   7.770   4.093
  355   2HZ   LYS  47          2HZ       LYS  47  -2.298   9.033   3.810
  356   3HZ   LYS  47          3HZ       LYS  47  -1.658   7.531   3.826
  357    H    LYS  48           H        LYS  48   0.584   4.675   7.674
  358    HA   LYS  48           HA       LYS  48   3.308   4.145   8.378
  359   1HB   LYS  48          1HB       LYS  48   0.823   2.418   8.916
  360   2HB   LYS  48          2HB       LYS  48   2.425   2.077   9.541
  361   1HG   LYS  48          1HG       LYS  48   2.506   4.102  10.808
  362   2HG   LYS  48          2HG       LYS  48   1.052   4.726  10.077
  363   1HD   LYS  48          1HD       LYS  48   0.731   3.812  12.361
  364   2HD   LYS  48          2HD       LYS  48  -0.351   3.135  11.184
  365   1HE   LYS  48          1HE       LYS  48   2.236   1.679  11.957
  366   2HE   LYS  48          2HE       LYS  48   0.779   1.538  12.918
  367   1HZ   LYS  48          1HZ       LYS  48  -0.396   0.701  10.989
  368   2HZ   LYS  48          2HZ       LYS  48   1.040   0.678  10.081
  369   3HZ   LYS  48          3HZ       LYS  48   0.922  -0.258  11.453
  370    H    ASN  49           H        ASN  49   1.220   1.520   7.351
  371    HA   ASN  49           HA       ASN  49   3.051   0.667   5.181
  372   1HB   ASN  49          1HB       ASN  49   2.974  -1.651   6.212
  373   2HB   ASN  49          2HB       ASN  49   3.743  -0.515   7.295
  374   1HD2  ASN  49          1HD2      ASN  49   0.867  -2.810   8.691
  375   2HD2  ASN  49          2HD2      ASN  49   1.806  -3.088   7.325
  376    H    TYR  50           H        TYR  50   0.299   1.868   5.586
  377    HA   TYR  50           HA       TYR  50  -1.412  -0.297   4.601
  378   1HB   TYR  50          1HB       TYR  50  -2.080   2.655   5.140
  379   2HB   TYR  50          2HB       TYR  50  -3.254   1.384   4.870
  380    HD1  TYR  50           HD1      TYR  50  -2.399  -0.864   6.369
  381    HD2  TYR  50           HD2      TYR  50  -2.133   3.249   7.450
  382    HE1  TYR  50           HE1      TYR  50  -2.239  -1.540   8.649
  383    HE2  TYR  50           HE2      TYR  50  -2.005   2.604   9.812
  384    HH   TYR  50           HH       TYR  50  -1.816  -0.805  10.851
  385    H    CYS  51           H        CYS  51  -2.362  -0.496   2.752
  386    HA   CYS  51           HA       CYS  51  -0.833  -0.079   0.548
  387   1HB   CYS  51          1HB       CYS  51  -3.862  -0.398   0.367
  388   2HB   CYS  51          2HB       CYS  51  -2.657  -1.153  -0.625
  389    H    ARG  52           H        ARG  52  -1.269   1.000  -1.516
  390    HA   ARG  52           HA       ARG  52  -2.864   3.434  -1.522
  391   1HB   ARG  52          1HB       ARG  52   0.228   3.306  -1.516
  392   2HB   ARG  52          2HB       ARG  52  -0.491   4.494  -2.545
  393   1HG   ARG  52          1HG       ARG  52  -0.903   4.478   0.417
  394   2HG   ARG  52          2HG       ARG  52   0.120   5.538  -0.513
  395   1HD   ARG  52          1HD       ARG  52  -2.890   5.367  -0.562
  396   2HD   ARG  52          2HD       ARG  52  -1.922   6.767  -0.162
  397    HE   ARG  52           HE       ARG  52  -1.275   6.342  -2.759
  398   1HH1  ARG  52          1HH1      ARG  52  -4.273   6.915  -0.873
  399   2HH1  ARG  52          2HH1      ARG  52  -5.220   7.171  -2.314
  400   1HH2  ARG  52          1HH2      ARG  52  -2.728   6.905  -4.679
  401   2HH2  ARG  52          2HH2      ARG  52  -4.372   7.290  -4.281
  402    H    ASN  53           H        ASN  53  -2.453   4.534  -3.464
  403    HA   ASN  53           HA       ASN  53  -1.912   2.896  -5.874
  404   1HB   ASN  53          1HB       ASN  53  -4.276   4.778  -5.229
  405   2HB   ASN  53          2HB       ASN  53  -3.832   4.570  -6.889
  406   1HD2  ASN  53          1HD2      ASN  53  -5.703   1.644  -7.169
  407   2HD2  ASN  53          2HD2      ASN  53  -4.956   2.892  -8.049
  408    HA   PRO  54           HA       PRO  54   0.489   6.864  -5.573
  409   1HB   PRO  54          1HB       PRO  54   2.838   5.138  -6.290
  410   2HB   PRO  54          2HB       PRO  54   2.722   6.309  -5.001
  411   1HG   PRO  54          1HG       PRO  54   2.735   3.686  -4.390
  412   2HG   PRO  54          2HG       PRO  54   1.647   4.768  -3.553
  413   1HD   PRO  54          1HD       PRO  54   0.894   2.997  -5.916
  414   2HD   PRO  54          2HD       PRO  54   0.113   3.149  -4.364
  415    H    ASP  55           H        ASP  55   1.118   4.128  -7.810
  416    HA   ASP  55           HA       ASP  55   1.434   5.925 -10.087
  417   1HB   ASP  55          1HB       ASP  55   2.129   3.833 -11.246
  418   2HB   ASP  55          2HB       ASP  55   3.052   4.083  -9.779
  419    H    ARG  56           H        ARG  56  -0.892   4.257  -8.398
  420    HA   ARG  56           HA       ARG  56  -2.956   3.798  -8.557
  421   1HB   ARG  56          1HB       ARG  56  -4.504   5.446  -9.481
  422   2HB   ARG  56          2HB       ARG  56  -3.297   6.122  -8.448
  423   1HG   ARG  56          1HG       ARG  56  -2.749   6.158 -11.416
  424   2HG   ARG  56          2HG       ARG  56  -3.923   7.268 -10.775
  425   1HD   ARG  56          1HD       ARG  56  -2.331   8.363  -9.310
  426   2HD   ARG  56          2HD       ARG  56  -1.127   7.105  -9.563
  427    HE   ARG  56           HE       ARG  56  -2.032   8.436 -11.959
  428   1HH1  ARG  56          1HH1      ARG  56   0.383   8.319  -9.333
  429   2HH1  ARG  56          2HH1      ARG  56   1.486   9.383 -10.095
  430   1HH2  ARG  56          1HH2      ARG  56  -0.463   9.790 -13.018
  431   2HH2  ARG  56          2HH2      ARG  56   1.036  10.173 -12.272
  432    H    GLU  57           H        GLU  57  -2.177   2.105  -9.337
  433    HA   GLU  57           HA       GLU  57  -2.816   0.952 -11.873
  434   1HB   GLU  57          1HB       GLU  57  -2.048  -1.140 -10.702
  435   2HB   GLU  57          2HB       GLU  57  -0.992   0.155 -10.242
  436   1HG   GLU  57          1HG       GLU  57  -3.300  -0.853  -8.535
  437   2HG   GLU  57          2HG       GLU  57  -1.655  -1.366  -8.400
  438    H    LEU  58           H        LEU  58  -4.044  -1.408 -11.044
  439    HA   LEU  58           HA       LEU  58  -6.787  -0.581 -10.977
  440   1HB   LEU  58          1HB       LEU  58  -5.811  -2.555 -12.182
  441   2HB   LEU  58          2HB       LEU  58  -5.658  -3.428 -10.697
  442    HG   LEU  58           HG       LEU  58  -8.295  -2.287 -11.735
  443   1HD1  LEU  58          1HD1      LEU  58  -7.369  -3.831 -13.425
  444   2HD1  LEU  58          2HD1      LEU  58  -7.183  -5.088 -12.203
  445   3HD1  LEU  58          3HD1      LEU  58  -8.791  -4.530 -12.662
  446   1HD2  LEU  58          1HD2      LEU  58  -7.759  -4.478  -9.670
  447   2HD2  LEU  58          2HD2      LEU  58  -8.483  -2.899  -9.345
  448   3HD2  LEU  58          3HD2      LEU  58  -9.346  -4.073 -10.305
  449    H    ARG  59           H        ARG  59  -5.071  -2.809  -8.778
  450    HA   ARG  59           HA       ARG  59  -6.924  -2.111  -6.599
  451   1HB   ARG  59          1HB       ARG  59  -6.821  -4.401  -7.611
  452   2HB   ARG  59          2HB       ARG  59  -5.158  -4.569  -7.159
  453   1HG   ARG  59          1HG       ARG  59  -5.778  -4.614  -4.777
  454   2HG   ARG  59          2HG       ARG  59  -7.455  -4.294  -5.180
  455   1HD   ARG  59          1HD       ARG  59  -7.675  -6.428  -6.391
  456   2HD   ARG  59          2HD       ARG  59  -5.942  -6.770  -6.194
  457    HE   ARG  59           HE       ARG  59  -6.459  -6.502  -3.747
  458   1HH1  ARG  59          1HH1      ARG  59  -8.559  -8.132  -6.076
  459   2HH1  ARG  59          2HH1      ARG  59  -9.260  -9.202  -4.917
  460   1HH2  ARG  59          1HH2      ARG  59  -7.296  -7.954  -2.264
  461   2HH2  ARG  59          2HH2      ARG  59  -8.579  -9.014  -2.582
  462    HA   PRO  61           HA       PRO  61  -3.607   0.113  -4.636
  463   1HB   PRO  61          1HB       PRO  61  -4.309  -0.082  -1.928
  464   2HB   PRO  61          2HB       PRO  61  -5.138   0.943  -3.053
  465   1HG   PRO  61          1HG       PRO  61  -5.919  -1.818  -2.179
  466   2HG   PRO  61          2HG       PRO  61  -6.970  -0.405  -2.319
  467   1HD   PRO  61          1HD       PRO  61  -6.874  -2.365  -4.235
  468   2HD   PRO  61          2HD       PRO  61  -7.079  -0.678  -4.729
  469    H    TRP  62           H        TRP  62  -1.529  -0.398  -4.071
  470    HA   TRP  62           HA       TRP  62  -1.070  -3.030  -2.683
  471   1HB   TRP  62          1HB       TRP  62   1.109  -3.205  -3.983
  472   2HB   TRP  62          2HB       TRP  62  -0.278  -3.186  -5.043
  473    HD1  TRP  62           HD1      TRP  62  -0.636  -1.057  -6.618
  474    HE1  TRP  62           HE1      TRP  62   0.750   0.971  -7.189
  475    HE3  TRP  62           HE3      TRP  62   3.023  -1.696  -3.167
  476    HZ2  TRP  62           HZ2      TRP  62   3.212   2.154  -6.243
  477    HZ3  TRP  62           HZ3      TRP  62   4.891  -0.094  -3.005
  478    HH2  TRP  62           HH2      TRP  62   4.974   1.846  -4.543
  479    H    CYS  63           H        CYS  63   1.099  -3.227  -1.746
  480    HA   CYS  63           HA       CYS  63   2.545  -0.861  -0.961
  481   1HB   CYS  63          1HB       CYS  63   2.466  -1.645   1.577
  482   2HB   CYS  63          2HB       CYS  63   1.240  -0.593   0.982
  483    H    PHE  64           H        PHE  64   4.488  -1.562   0.349
  484    HA   PHE  64           HA       PHE  64   5.628  -3.794  -1.118
  485   1HB   PHE  64          1HB       PHE  64   6.748  -1.976   1.082
  486   2HB   PHE  64          2HB       PHE  64   7.712  -3.180   0.245
  487    HD1  PHE  64           HD1      PHE  64   7.445  -3.092  -2.431
  488    HD2  PHE  64           HD2      PHE  64   6.959   0.232   0.219
  489    HE1  PHE  64           HE1      PHE  64   7.922  -1.538  -4.285
  490    HE2  PHE  64           HE2      PHE  64   7.473   1.771  -1.632
  491    HZ   PHE  64           HZ       PHE  64   7.966   0.852  -3.898
  492    H    THR  65           H        THR  65   6.532  -5.699  -0.119
  493    HA   THR  65           HA       THR  65   4.888  -6.452   2.259
  494    HB   THR  65           HB       THR  65   4.829  -8.590   1.568
  495    HG1  THR  65           HG1      THR  65   7.207  -8.396   0.094
  496   1HG2  THR  65          1HG2      THR  65   3.818  -7.250  -0.287
  497   2HG2  THR  65          2HG2      THR  65   5.310  -7.361  -1.194
  498   3HG2  THR  65          3HG2      THR  65   4.408  -8.821  -0.814
  499    H    THR  66           H        THR  66   6.002  -8.218   3.660
  500    HA   THR  66           HA       THR  66   8.384  -6.982   4.733
  501    HB   THR  66           HB       THR  66   7.979  -8.974   6.394
  502    HG1  THR  66           HG1      THR  66   6.821 -10.293   4.852
  503   1HG2  THR  66          1HG2      THR  66   5.619  -7.095   5.838
  504   2HG2  THR  66          2HG2      THR  66   5.899  -7.995   7.320
  505   3HG2  THR  66          3HG2      THR  66   7.015  -6.720   6.840
  506    H    ASP  67           H        ASP  67   7.766  -9.370   2.314
  507    HA   ASP  67           HA       ASP  67  10.009 -11.064   3.030
  508   1HB   ASP  67          1HB       ASP  67   7.979 -12.007   2.046
  509   2HB   ASP  67          2HB       ASP  67   8.156 -11.018   0.604
  510    HA   PRO  68           HA       PRO  68  12.952  -8.528   0.869
  511   1HB   PRO  68          1HB       PRO  68  15.128 -10.241   0.748
  512   2HB   PRO  68          2HB       PRO  68  14.540  -9.528   2.239
  513   1HG   PRO  68          1HG       PRO  68  13.908 -12.285   1.175
  514   2HG   PRO  68          2HG       PRO  68  14.433 -11.859   2.804
  515   1HD   PRO  68          1HD       PRO  68  11.789 -12.257   2.175
  516   2HD   PRO  68          2HD       PRO  68  12.254 -11.030   3.368
  517    H    ASN  69           H        ASN  69  11.403 -11.031  -0.680
  518    HA   ASN  69           HA       ASN  69  12.795 -10.365  -3.257
  519   1HB   ASN  69          1HB       ASN  69  11.466 -13.017  -2.442
  520   2HB   ASN  69          2HB       ASN  69  12.017 -12.641  -4.059
  521   1HD2  ASN  69          1HD2      ASN  69  15.475 -12.461  -2.239
  522   2HD2  ASN  69          2HD2      ASN  69  14.411 -11.110  -2.376
  523    H    LYS  70           H        LYS  70   9.701 -10.989  -1.598
  524    HA   LYS  70           HA       LYS  70   8.302 -10.171  -4.044
  525   1HB   LYS  70          1HB       LYS  70   7.366 -11.900  -2.382
  526   2HB   LYS  70          2HB       LYS  70   7.131 -10.617  -1.253
  527   1HG   LYS  70          1HG       LYS  70   5.020 -10.750  -2.295
  528   2HG   LYS  70          2HG       LYS  70   5.756  -9.405  -3.111
  529   1HD   LYS  70          1HD       LYS  70   6.579 -11.453  -4.778
  530   2HD   LYS  70          2HD       LYS  70   5.163 -12.190  -4.097
  531   1HE   LYS  70          1HE       LYS  70   5.369  -9.739  -5.881
  532   2HE   LYS  70          2HE       LYS  70   4.343 -11.156  -6.054
  533   1HZ   LYS  70          1HZ       LYS  70   3.223 -10.260  -3.947
  534   2HZ   LYS  70          2HZ       LYS  70   4.022  -8.810  -4.342
  535   3HZ   LYS  70          3HZ       LYS  70   2.932  -9.486  -5.422
  536    H    ARG  71           H        ARG  71   9.195  -8.206  -4.328
  537    HA   ARG  71           HA       ARG  71   9.403  -6.094  -2.517
  538   1HB   ARG  71          1HB       ARG  71  10.472  -6.010  -4.668
  539   2HB   ARG  71          2HB       ARG  71   8.982  -6.113  -5.544
  540   1HG   ARG  71          1HG       ARG  71   8.365  -3.815  -4.904
  541   2HG   ARG  71          2HG       ARG  71   9.730  -3.686  -3.827
  542   1HD   ARG  71          1HD       ARG  71  11.306  -3.608  -5.618
  543   2HD   ARG  71          2HD       ARG  71  10.173  -4.309  -6.788
  544    HE   ARG  71           HE       ARG  71   8.857  -2.068  -6.252
  545   1HH1  ARG  71          1HH1      ARG  71  12.257  -2.601  -6.956
  546   2HH1  ARG  71          2HH1      ARG  71  12.461  -1.125  -7.820
  547   1HH2  ARG  71          1HH2      ARG  71   9.063  -0.170  -7.399
  548   2HH2  ARG  71          2HH2      ARG  71  10.576   0.349  -8.025
  549    H    TRP  72           H        TRP  72   6.888  -5.839  -5.048
  550    HA   TRP  72           HA       TRP  72   5.148  -4.557  -3.019
  551   1HB   TRP  72          1HB       TRP  72   4.124  -3.366  -4.817
  552   2HB   TRP  72          2HB       TRP  72   5.821  -3.173  -5.057
  553    HD1  TRP  72           HD1      TRP  72   6.996  -4.798  -7.111
  554    HE1  TRP  72           HE1      TRP  72   5.922  -5.387  -9.343
  555    HE3  TRP  72           HE3      TRP  72   2.160  -4.013  -5.863
  556    HZ2  TRP  72           HZ2      TRP  72   3.268  -5.441 -10.460
  557    HZ3  TRP  72           HZ3      TRP  72   0.377  -4.266  -7.524
  558    HH2  TRP  72           HH2      TRP  72   0.928  -4.910  -9.847
  559    H    GLU  73           H        GLU  73   2.788  -4.855  -3.193
  560    HA   GLU  73           HA       GLU  73   1.797  -6.917  -4.861
  561   1HB   GLU  73          1HB       GLU  73   2.908  -8.264  -2.865
  562   2HB   GLU  73          2HB       GLU  73   1.668  -7.620  -1.887
  563   1HG   GLU  73          1HG       GLU  73  -0.099  -8.665  -3.301
  564   2HG   GLU  73          2HG       GLU  73   1.066  -9.154  -4.499
  565    H    LEU  74           H        LEU  74  -0.372  -7.036  -4.974
  566    HA   LEU  74           HA       LEU  74  -1.808  -4.668  -4.232
  567   1HB   LEU  74          1HB       LEU  74  -2.964  -7.291  -5.302
  568   2HB   LEU  74          2HB       LEU  74  -3.720  -5.732  -5.410
  569    HG   LEU  74           HG       LEU  74  -1.085  -6.360  -6.819
  570   1HD1  LEU  74          1HD1      LEU  74  -3.907  -6.593  -7.936
  571   2HD1  LEU  74          2HD1      LEU  74  -2.418  -6.724  -8.871
  572   3HD1  LEU  74          3HD1      LEU  74  -2.787  -7.919  -7.638
  573   1HD2  LEU  74          1HD2      LEU  74  -1.620  -3.886  -6.561
  574   2HD2  LEU  74          2HD2      LEU  74  -1.614  -4.413  -8.239
  575   3HD2  LEU  74          3HD2      LEU  74  -3.117  -4.162  -7.421
  576    H    CYS  75           H        CYS  75  -3.061  -4.345  -2.535
  577    HA   CYS  75           HA       CYS  75  -3.368  -6.287  -0.405
  578   1HB   CYS  75          1HB       CYS  75  -4.384  -3.418  -0.737
  579   2HB   CYS  75          2HB       CYS  75  -4.510  -4.342   0.742
  580    H    ASP  76           H        ASP  76  -5.379  -6.581   0.679
  581    HA   ASP  76           HA       ASP  76  -7.714  -6.514  -1.196
  582   1HB   ASP  76          1HB       ASP  76  -6.911  -8.831  -0.336
  583   2HB   ASP  76          2HB       ASP  76  -7.370  -8.334   1.267
  584    H    ILE  77           H        ILE  77  -8.983  -4.897  -0.800
  585    HA   ILE  77           HA       ILE  77  -9.127  -3.770   1.946
  586    HB   ILE  77           HB       ILE  77  -9.788  -2.477  -0.754
  587   1HG1  ILE  77          1HG1      ILE  77  -7.486  -2.412  -0.778
  588   2HG1  ILE  77          2HG1      ILE  77  -7.901  -0.866  -0.158
  589   1HG2  ILE  77          1HG2      ILE  77 -11.222  -1.533   1.059
  590   2HG2  ILE  77          2HG2      ILE  77  -9.763  -1.074   1.939
  591   3HG2  ILE  77          3HG2      ILE  77 -10.123  -0.360   0.383
  592   1HD1  ILE  77          1HD1      ILE  77  -7.479  -1.752   2.210
  593   2HD1  ILE  77          2HD1      ILE  77  -6.841  -3.220   1.488
  594   3HD1  ILE  77          3HD1      ILE  77  -6.052  -1.684   1.177
  595    HA   PRO  78           HA       PRO  78 -13.347  -5.344   1.840
  596   1HB   PRO  78          1HB       PRO  78 -14.533  -3.490   3.613
  597   2HB   PRO  78          2HB       PRO  78 -13.645  -4.929   4.079
  598   1HG   PRO  78          1HG       PRO  78 -12.636  -2.095   3.966
  599   2HG   PRO  78          2HG       PRO  78 -12.277  -3.307   5.195
  600   1HD   PRO  78          1HD       PRO  78 -10.537  -2.678   3.193
  601   2HD   PRO  78          2HD       PRO  78 -10.618  -4.329   3.821
  602    H    ARG  79           H        ARG  79 -14.809  -5.009   0.271
  603    HA   ARG  79           HA       ARG  79 -14.590  -2.509  -1.176
  604   1HB   ARG  79          1HB       ARG  79 -14.969  -4.726  -2.317
  605   2HB   ARG  79          2HB       ARG  79 -16.602  -4.745  -1.705
  606   1HG   ARG  79          1HG       ARG  79 -16.952  -2.471  -2.877
  607   2HG   ARG  79          2HG       ARG  79 -15.341  -2.619  -3.493
  608   1HD   ARG  79          1HD       ARG  79 -16.065  -4.748  -4.719
  609   2HD   ARG  79          2HD       ARG  79 -17.733  -4.384  -4.272
  610    HE   ARG  79           HE       ARG  79 -15.876  -2.665  -5.814
  611   1HH1  ARG  79          1HH1      ARG  79 -19.355  -3.437  -5.095
  612   2HH1  ARG  79          2HH1      ARG  79 -19.876  -2.419  -6.353
  613   1HH2  ARG  79          1HH2      ARG  79 -16.652  -1.230  -7.161
  614   2HH2  ARG  79          2HH2      ARG  79 -18.326  -1.114  -7.606
  615    H    CYS  80           H        CYS  80 -15.844  -0.732  -1.037
  616    HA   CYS  80           HA       CYS  80 -18.152  -0.660   0.788
  617   1HB   CYS  80          1HB       CYS  80 -17.355   1.388  -1.359
  618   2HB   CYS  80          2HB       CYS  80 -18.549   1.634  -0.124
  619    H    THR  81           H        THR  81 -19.792  -2.064   0.005
  620    HA   THR  81           HA       THR  81 -20.995  -1.401  -2.539
  621    HB   THR  81           HB       THR  81 -19.010  -2.767  -3.173
  622    HG1  THR  81           HG1      THR  81 -21.478  -3.972  -3.610
  623   1HG2  THR  81          1HG2      THR  81 -18.746  -4.206  -1.181
  624   2HG2  THR  81          2HG2      THR  81 -20.233  -5.055  -1.551
  625   3HG2  THR  81          3HG2      THR  81 -18.853  -5.195  -2.622
  626    H1   AMH  84           H1       AMH  84   6.056  -1.542  -9.091
  627   1H2   AMH  84          1H2       AMH  84   5.871   0.791 -10.045
  628   2H2   AMH  84          2H2       AMH  84   4.831   1.213  -8.660
  629   1H3   AMH  84          1H3       AMH  84   3.567   0.636 -10.797
  630   2H3   AMH  84          2H3       AMH  84   4.219  -0.993 -10.641
  631    H4   AMH  84           H4       AMH  84   2.573   0.432  -8.489
  632   1H5   AMH  84          1H5       AMH  84   2.606  -1.813  -7.422
  633   2H5   AMH  84          2H5       AMH  84   3.565  -2.415  -8.757
  634   1H6   AMH  84          1H6       AMH  84   5.067  -1.987  -6.895
  635   2H6   AMH  84          2H6       AMH  84   4.543  -0.357  -6.762
  636   1H7   AMH  84          1H7       AMH  84   0.934  -1.533  -8.974
  637   2H7   AMH  84          2H7       AMH  84   0.913  -0.120 -10.050
  638   1HN   AMH  84          1HN       AMH  84   0.927  -2.312 -11.161
  639   2HN   AMH  84          2HN       AMH  84   2.105  -1.294 -11.633
  640   3HN   AMH  84          3HN       AMH  84   2.450  -2.531 -10.630
  Start of MODEL    5
    1   1H    THR  -4          1H        THR  -4 -14.440   4.103  10.454
    2   2H    THR  -4          2H        THR  -4 -13.510   2.736  10.631
    3   3H    THR  -4          3H        THR  -4 -13.483   3.915  11.802
    4    HA   THR  -4           HA       THR  -4 -11.975   5.062  10.759
    5    HB   THR  -4           HB       THR  -4 -11.190   3.408   8.609
    6    HG1  THR  -4           HG1      THR  -4 -11.987   1.314   9.177
    7   1HG2  THR  -4          1HG2      THR  -4 -10.818   2.694  11.583
    8   2HG2  THR  -4          2HG2      THR  -4  -9.829   2.101  10.255
    9   3HG2  THR  -4          3HG2      THR  -4  -9.799   3.805  10.667
   10    H    SER  -3           H        SER  -3 -11.458   5.627   8.061
   11    HA   SER  -3           HA       SER  -3 -14.031   6.033   6.743
   12   1HB   SER  -3          1HB       SER  -3 -13.333   8.124   8.182
   13   2HB   SER  -3          2HB       SER  -3 -12.013   8.361   7.067
   14    HG   SER  -3           HG       SER  -3 -13.650   8.661   5.412
   15    H    GLU  -2           H        GLU  -2 -13.524   6.648   4.428
   16    HA   GLU  -2           HA       GLU  -2 -12.623   5.927   2.515
   17   1HB   GLU  -2          1HB       GLU  -2  -9.885   6.624   3.687
   18   2HB   GLU  -2          2HB       GLU  -2 -10.440   6.819   2.050
   19   1HG   GLU  -2          1HG       GLU  -2 -11.169   8.483   4.503
   20   2HG   GLU  -2          2HG       GLU  -2 -10.369   9.015   3.056
   21    H    GLU  -1           H        GLU  -1 -13.142   3.854   4.132
   22    HA   GLU  -1           HA       GLU  -1 -10.856   1.989   3.680
   23   1HB   GLU  -1          1HB       GLU  -1 -11.336   2.787   6.058
   24   2HB   GLU  -1          2HB       GLU  -1 -12.760   1.783   6.053
   25   1HG   GLU  -1          1HG       GLU  -1 -11.409  -0.251   5.828
   26   2HG   GLU  -1          2HG       GLU  -1  -9.992   0.665   5.358
   27    H    CYS   1           H        CYS   1 -13.588   2.614   2.179
   28    HA   CYS   1           HA       CYS   1 -13.651  -0.088   1.296
   29   1HB   CYS   1          1HB       CYS   1 -15.941  -0.556   1.404
   30   2HB   CYS   1          2HB       CYS   1 -15.549  -0.045   3.008
   31    H    MET   2           H        MET   2 -13.944  -0.071  -0.892
   32    HA   MET   2           HA       MET   2 -14.345   2.628  -2.165
   33   1HB   MET   2          1HB       MET   2 -11.951   0.698  -2.369
   34   2HB   MET   2          2HB       MET   2 -12.242   1.878  -3.617
   35   1HG   MET   2          1HG       MET   2 -10.561   2.578  -2.085
   36   2HG   MET   2          2HG       MET   2 -11.832   3.762  -2.236
   37   1HE   MET   2          1HE       MET   2 -10.116   1.046  -0.274
   38   2HE   MET   2          2HE       MET   2 -10.876   0.973   1.323
   39   3HE   MET   2          3HE       MET   2 -11.724   0.379  -0.111
   40    H    HIS   3           H        HIS   3 -13.946   2.269  -4.608
   41    HA   HIS   3           HA       HIS   3 -16.004   0.415  -5.527
   42   1HB   HIS   3          1HB       HIS   3 -14.120   2.275  -7.110
   43   2HB   HIS   3          2HB       HIS   3 -15.478   1.405  -7.799
   44    HD1  HIS   3           HD1      HIS   3 -14.935   4.687  -7.004
   45    HD2  HIS   3           HD2      HIS   3 -17.863   1.965  -5.712
   46    HE1  HIS   3           HE1      HIS   3 -16.918   6.041  -6.177
   47    H    GLY   4           H        GLY   4 -12.465   0.667  -5.584
   48   1HA   GLY   4          1HA       GLY   4 -12.124  -2.128  -5.806
   49   2HA   GLY   4          2HA       GLY   4 -12.067  -1.465  -7.460
   50    H    SER   5           H        SER   5 -10.748   0.945  -7.145
   51    HA   SER   5           HA       SER   5  -8.030   0.029  -6.819
   52   1HB   SER   5          1HB       SER   5  -7.766   2.491  -7.762
   53   2HB   SER   5          2HB       SER   5  -8.559   1.283  -8.784
   54    HG   SER   5           HG       SER   5  -9.836   3.253  -8.575
   55    H    GLY   6           H        GLY   6  -9.673   2.987  -5.915
   56   1HA   GLY   6          1HA       GLY   6  -9.854   3.867  -3.652
   57   2HA   GLY   6          2HA       GLY   6  -8.641   2.688  -3.112
   58    H    GLU   7           H        GLU   7  -8.959   5.307  -5.454
   59    HA   GLU   7           HA       GLU   7  -6.282   6.148  -5.349
   60   1HB   GLU   7          1HB       GLU   7  -8.763   7.840  -5.958
   61   2HB   GLU   7          2HB       GLU   7  -7.122   8.273  -6.378
   62   1HG   GLU   7          1HG       GLU   7  -8.603   5.808  -7.466
   63   2HG   GLU   7          2HG       GLU   7  -8.341   7.308  -8.324
   64    H    ASN   8           H        ASN   8  -8.953   6.804  -3.218
   65    HA   ASN   8           HA       ASN   8  -7.187   8.542  -1.551
   66   1HB   ASN   8          1HB       ASN   8  -9.392   9.507  -2.454
   67   2HB   ASN   8          2HB       ASN   8 -10.260   8.392  -1.425
   68   1HD2  ASN   8          1HD2      ASN   8 -10.005  10.588   1.300
   69   2HD2  ASN   8          2HD2      ASN   8 -10.881   9.328   0.591
   70    H    TYR   9           H        TYR   9  -7.759   5.383  -1.714
   71    HA   TYR   9           HA       TYR   9  -8.796   4.845   0.945
   72   1HB   TYR   9          1HB       TYR   9  -9.083   3.028  -0.575
   73   2HB   TYR   9          2HB       TYR   9  -7.452   3.147  -1.221
   74    HD1  TYR   9           HD1      TYR   9  -9.287   2.458   1.928
   75    HD2  TYR   9           HD2      TYR   9  -5.859   1.597  -0.436
   76    HE1  TYR   9           HE1      TYR   9  -8.478   0.957   3.687
   77    HE2  TYR   9           HE2      TYR   9  -5.025   0.117   1.283
   78    HH   TYR   9           HH       TYR   9  -5.320  -0.624   3.547
   79    H    ASP  10           H        ASP  10  -7.637   5.426   2.753
   80    HA   ASP  10           HA       ASP  10  -4.873   4.406   2.863
   81   1HB   ASP  10          1HB       ASP  10  -3.933   6.511   3.586
   82   2HB   ASP  10          2HB       ASP  10  -4.748   6.798   2.080
   83    H    GLY  11           H        GLY  11  -7.270   3.346   3.895
   84   1HA   GLY  11          1HA       GLY  11  -7.820   4.192   6.514
   85   2HA   GLY  11          2HA       GLY  11  -8.342   2.710   5.718
   86    H    LYS  12           H        LYS  12  -7.406   0.901   6.201
   87    HA   LYS  12           HA       LYS  12  -4.999   0.834   8.022
   88   1HB   LYS  12          1HB       LYS  12  -7.728  -0.327   8.757
   89   2HB   LYS  12          2HB       LYS  12  -6.289  -0.653   9.672
   90   1HG   LYS  12          1HG       LYS  12  -7.562   2.096   9.311
   91   2HG   LYS  12          2HG       LYS  12  -7.724   1.086  10.700
   92   1HD   LYS  12          1HD       LYS  12  -5.137   2.405   9.733
   93   2HD   LYS  12          2HD       LYS  12  -6.092   2.876  11.097
   94   1HE   LYS  12          1HE       LYS  12  -4.445   0.317  10.798
   95   2HE   LYS  12          2HE       LYS  12  -4.147   1.652  11.893
   96   1HZ   LYS  12          1HZ       LYS  12  -6.480  -0.145  11.971
   97   2HZ   LYS  12          2HZ       LYS  12  -5.128  -0.209  12.999
   98   3HZ   LYS  12          3HZ       LYS  12  -6.173   1.130  13.046
   99    H    ILE  13           H        ILE  13  -6.607  -0.840   5.493
  100    HA   ILE  13           HA       ILE  13  -5.647  -3.451   6.378
  101    HB   ILE  13           HB       ILE  13  -6.670  -2.753   3.622
  102   1HG1  ILE  13          1HG1      ILE  13  -8.794  -4.057   4.697
  103   2HG1  ILE  13          2HG1      ILE  13  -8.240  -3.248   6.132
  104   1HG2  ILE  13          1HG2      ILE  13  -6.445  -5.436   5.029
  105   2HG2  ILE  13          2HG2      ILE  13  -7.184  -5.170   3.453
  106   3HG2  ILE  13          3HG2      ILE  13  -5.474  -4.880   3.664
  107   1HD1  ILE  13          1HD1      ILE  13  -8.878  -1.882   3.446
  108   2HD1  ILE  13          2HD1      ILE  13  -9.993  -1.984   4.799
  109   3HD1  ILE  13          3HD1      ILE  13  -8.514  -1.044   4.952
  110    H    SER  14           H        SER  14  -3.853  -4.351   5.887
  111    HA   SER  14           HA       SER  14  -1.959  -3.296   3.870
  112   1HB   SER  14          1HB       SER  14  -0.976  -2.190   5.662
  113   2HB   SER  14          2HB       SER  14  -1.676  -3.197   6.883
  114    HG   SER  14           HG       SER  14  -0.056  -4.774   6.331
  115    H    LYS  15           H        LYS  15  -3.565  -5.501   3.467
  116    HA   LYS  15           HA       LYS  15  -1.640  -7.753   3.904
  117   1HB   LYS  15          1HB       LYS  15  -4.656  -7.662   4.290
  118   2HB   LYS  15          2HB       LYS  15  -3.924  -9.111   3.684
  119   1HG   LYS  15          1HG       LYS  15  -3.936  -9.514   5.984
  120   2HG   LYS  15          2HG       LYS  15  -2.290  -9.076   5.649
  121   1HD   LYS  15          1HD       LYS  15  -2.800  -6.735   6.445
  122   2HD   LYS  15          2HD       LYS  15  -4.420  -7.234   6.863
  123   1HE   LYS  15          1HE       LYS  15  -3.547  -8.739   8.616
  124   2HE   LYS  15          2HE       LYS  15  -1.929  -8.646   7.934
  125   1HZ   LYS  15          1HZ       LYS  15  -1.908  -6.302   8.439
  126   2HZ   LYS  15          2HZ       LYS  15  -3.280  -6.503   9.452
  127   3HZ   LYS  15          3HZ       LYS  15  -1.772  -7.321   9.675
  128    H    THR  16           H        THR  16  -0.651  -8.094   2.127
  129    HA   THR  16           HA       THR  16  -1.904  -7.440  -0.389
  130    HB   THR  16           HB       THR  16   0.055  -8.126  -1.454
  131    HG1  THR  16           HG1      THR  16   0.407  -9.833   0.394
  132   1HG2  THR  16          1HG2      THR  16   0.017  -5.919  -0.198
  133   2HG2  THR  16          2HG2      THR  16   0.949  -6.718   1.078
  134   3HG2  THR  16          3HG2      THR  16   1.621  -6.509  -0.532
  135    H    MET  17           H        MET  17  -3.051  -8.598  -1.484
  136    HA   MET  17           HA       MET  17  -4.486 -10.739  -0.914
  137   1HB   MET  17          1HB       MET  17  -5.432 -10.492  -3.093
  138   2HB   MET  17          2HB       MET  17  -4.703  -8.969  -2.798
  139   1HG   MET  17          1HG       MET  17  -2.753  -9.605  -4.271
  140   2HG   MET  17          2HG       MET  17  -3.473 -11.167  -4.530
  141   1HE   MET  17          1HE       MET  17  -5.248 -11.807  -5.882
  142   2HE   MET  17          2HE       MET  17  -6.565 -10.915  -5.112
  143   3HE   MET  17          3HE       MET  17  -6.301 -10.799  -6.870
  144    H    SER  18           H        SER  18  -1.407 -10.917  -2.686
  145    HA   SER  18           HA       SER  18  -1.465 -13.882  -2.382
  146   1HB   SER  18          1HB       SER  18  -0.380 -13.906  -4.767
  147   2HB   SER  18          2HB       SER  18  -2.087 -13.556  -4.665
  148    HG   SER  18           HG       SER  18  -0.050 -11.627  -5.033
  149    H    GLY  19           H        GLY  19  -0.382 -12.102  -0.664
  150   1HA   GLY  19          1HA       GLY  19   2.467 -12.869  -0.886
  151   2HA   GLY  19          2HA       GLY  19   2.159 -11.135  -0.927
  152    H    LEU  20           H        LEU  20   2.343 -10.192   1.163
  153    HA   LEU  20           HA       LEU  20   1.637 -11.848   3.498
  154   1HB   LEU  20          1HB       LEU  20   4.229 -10.198   3.257
  155   2HB   LEU  20          2HB       LEU  20   3.821 -11.296   4.522
  156    HG   LEU  20           HG       LEU  20   3.744 -13.044   2.425
  157   1HD1  LEU  20          1HD1      LEU  20   4.437 -11.327   0.696
  158   2HD1  LEU  20          2HD1      LEU  20   5.868 -10.981   1.641
  159   3HD1  LEU  20          3HD1      LEU  20   5.666 -12.558   0.889
  160   1HD2  LEU  20          1HD2      LEU  20   5.074 -13.318   4.510
  161   2HD2  LEU  20          2HD2      LEU  20   5.911 -13.851   3.060
  162   3HD2  LEU  20          3HD2      LEU  20   6.351 -12.329   3.799
  163    H    GLU  21           H        GLU  21   2.559 -10.026   5.379
  164    HA   GLU  21           HA       GLU  21   0.575  -7.920   5.293
  165   1HB   GLU  21          1HB       GLU  21   1.233  -9.026   7.406
  166   2HB   GLU  21          2HB       GLU  21   2.914  -8.638   7.133
  167   1HG   GLU  21          1HG       GLU  21   2.416  -7.063   8.729
  168   2HG   GLU  21          2HG       GLU  21   2.133  -6.089   7.321
  169    H    CYS  22           H        CYS  22   1.003  -5.711   4.904
  170    HA   CYS  22           HA       CYS  22   3.290  -5.275   3.184
  171   1HB   CYS  22          1HB       CYS  22   0.992  -3.470   3.985
  172   2HB   CYS  22          2HB       CYS  22   2.413  -2.832   3.171
  173    H    GLN  23           H        GLN  23   4.812  -3.991   3.315
  174    HA   GLN  23           HA       GLN  23   6.075  -3.376   5.905
  175   1HB   GLN  23          1HB       GLN  23   7.234  -4.858   4.342
  176   2HB   GLN  23          2HB       GLN  23   6.951  -3.828   2.984
  177   1HG   GLN  23          1HG       GLN  23   8.459  -2.443   5.126
  178   2HG   GLN  23          2HG       GLN  23   9.260  -3.902   4.551
  179   1HE2  GLN  23          1HE2      GLN  23   8.497  -0.995   1.782
  180   2HE2  GLN  23          2HE2      GLN  23   7.474  -1.061   3.132
  181    H    ALA  24           H        ALA  24   6.483  -1.312   6.455
  182    HA   ALA  24           HA       ALA  24   4.754   0.625   5.457
  183   1HB   ALA  24          1HB       ALA  24   5.689   0.671   7.755
  184   2HB   ALA  24          2HB       ALA  24   7.288   1.070   7.124
  185   3HB   ALA  24          3HB       ALA  24   5.956   2.223   6.973
  186    H    TRP  25           H        TRP  25   4.991   2.598   4.472
  187    HA   TRP  25           HA       TRP  25   6.356   2.357   1.986
  188   1HB   TRP  25          1HB       TRP  25   4.806   4.668   3.263
  189   2HB   TRP  25          2HB       TRP  25   5.443   4.741   1.621
  190    HD1  TRP  25           HD1      TRP  25   2.567   3.221   3.607
  191    HE1  TRP  25           HE1      TRP  25   0.943   2.146   1.955
  192    HE3  TRP  25           HE3      TRP  25   5.425   3.447  -0.589
  193    HZ2  TRP  25           HZ2      TRP  25   0.891   1.489  -0.793
  194    HZ3  TRP  25           HZ3      TRP  25   4.539   2.595  -2.750
  195    HH2  TRP  25           HH2      TRP  25   2.259   1.612  -2.844
  196    H    ASP  26           H        ASP  26   7.685   3.823   4.941
  197    HA   ASP  26           HA       ASP  26   9.195   5.657   3.227
  198   1HB   ASP  26          1HB       ASP  26   8.317   6.136   5.676
  199   2HB   ASP  26          2HB       ASP  26   9.823   5.422   6.192
  200    H    SER  27           H        SER  27  11.594   5.285   5.107
  201    HA   SER  27           HA       SER  27  12.763   3.017   3.495
  202   1HB   SER  27          1HB       SER  27  13.755   5.338   3.218
  203   2HB   SER  27          2HB       SER  27  14.238   5.305   4.921
  204    HG   SER  27           HG       SER  27  15.960   4.508   3.576
  205    H    GLN  28           H        GLN  28  12.854   1.223   4.528
  206    HA   GLN  28           HA       GLN  28  13.797   1.183   7.298
  207   1HB   GLN  28          1HB       GLN  28  11.624  -0.402   7.773
  208   2HB   GLN  28          2HB       GLN  28  11.736   1.275   8.128
  209   1HG   GLN  28          1HG       GLN  28   9.586   0.781   7.022
  210   2HG   GLN  28          2HG       GLN  28  10.500   1.961   6.105
  211   1HE2  GLN  28          1HE2      GLN  28  10.317  -0.009   3.205
  212   2HE2  GLN  28          2HE2      GLN  28  10.356   1.536   3.865
  213    H    SER  29           H        SER  29  12.197  -1.404   5.299
  214    HA   SER  29           HA       SER  29  14.546  -2.738   4.592
  215   1HB   SER  29          1HB       SER  29  14.311  -4.630   6.431
  216   2HB   SER  29          2HB       SER  29  14.960  -3.122   7.021
  217    HG   SER  29           HG       SER  29  12.177  -3.546   7.082
  218    HA   PRO  30           HA       PRO  30  14.669  -5.316   4.026
  219   1HB   PRO  30          1HB       PRO  30  13.879  -5.923   1.194
  220   2HB   PRO  30          2HB       PRO  30  14.543  -6.994   2.415
  221   1HG   PRO  30          1HG       PRO  30  11.898  -7.098   1.763
  222   2HG   PRO  30          2HG       PRO  30  12.370  -7.235   3.452
  223   1HD   PRO  30          1HD       PRO  30  11.430  -4.733   2.009
  224   2HD   PRO  30          2HD       PRO  30  10.834  -5.367   3.545
  225    H    HIS  31           H        HIS  31  13.505  -2.656   2.035
  226    HA   HIS  31           HA       HIS  31  16.201  -1.762   1.802
  227   1HB   HIS  31          1HB       HIS  31  15.325  -3.498  -0.347
  228   2HB   HIS  31          2HB       HIS  31  15.244  -1.898  -1.033
  229    HD1  HIS  31           HD1      HIS  31  17.710  -3.834   1.131
  230    HD2  HIS  31           HD2      HIS  31  17.628  -1.083  -2.040
  231    HE1  HIS  31           HE1      HIS  31  20.136  -3.430   0.407
  232    H    ALA  32           H        ALA  32  16.394   0.256   0.666
  233    HA   ALA  32           HA       ALA  32  14.158   1.983   1.333
  234   1HB   ALA  32          1HB       ALA  32  16.554   2.645   1.739
  235   2HB   ALA  32          2HB       ALA  32  16.861   2.631   0.004
  236   3HB   ALA  32          3HB       ALA  32  15.747   3.811   0.692
  237    H    HIS  33           H        HIS  33  12.784   0.824  -0.156
  238    HA   HIS  33           HA       HIS  33  13.034   1.154  -3.024
  239   1HB   HIS  33          1HB       HIS  33  10.587   0.332  -2.991
  240   2HB   HIS  33          2HB       HIS  33  11.668  -0.684  -2.051
  241    HD1  HIS  33           HD1      HIS  33   9.463   2.380  -1.336
  242    HD2  HIS  33           HD2      HIS  33  10.893  -1.123   0.542
  243    HE1  HIS  33           HE1      HIS  33   8.453   2.281   0.937
  244    H    GLY  34           H        GLY  34  11.205   2.316  -4.269
  245   1HA   GLY  34          1HA       GLY  34  11.366   5.123  -3.555
  246   2HA   GLY  34          2HA       GLY  34  10.503   4.422  -4.940
  247    H    TYR  36           H        TYR  36   9.169   6.365  -4.044
  248    HA   TYR  36           HA       TYR  36   7.176   7.096  -3.278
  249   1HB   TYR  36          1HB       TYR  36   6.370   4.243  -2.547
  250   2HB   TYR  36          2HB       TYR  36   5.311   5.564  -2.947
  251    HD1  TYR  36           HD1      TYR  36   5.231   6.346  -5.429
  252    HD2  TYR  36           HD2      TYR  36   7.300   2.855  -4.141
  253    HE1  TYR  36           HE1      TYR  36   5.230   5.472  -7.737
  254    HE2  TYR  36           HE2      TYR  36   7.304   1.977  -6.377
  255    HH   TYR  36           HH       TYR  36   6.801   2.429  -8.630
  256    H    ILE  37           H        ILE  37   9.106   7.524  -1.684
  257    HA   ILE  37           HA       ILE  37   8.682   6.455   1.008
  258    HB   ILE  37           HB       ILE  37  10.762   8.308  -0.233
  259   1HG1  ILE  37          1HG1      ILE  37  10.949   5.346   0.473
  260   2HG1  ILE  37          2HG1      ILE  37  10.847   6.001  -1.134
  261   1HG2  ILE  37          1HG2      ILE  37  10.576   8.700   2.197
  262   2HG2  ILE  37          2HG2      ILE  37  10.905   6.990   2.502
  263   3HG2  ILE  37          3HG2      ILE  37  12.129   8.013   1.782
  264   1HD1  ILE  37          1HD1      ILE  37  13.030   7.257  -0.738
  265   2HD1  ILE  37          2HD1      ILE  37  13.189   6.375   0.786
  266   3HD1  ILE  37          3HD1      ILE  37  13.180   5.505  -0.730
  267    HA   PRO  38           HA       PRO  38   5.925  10.060   1.467
  268   1HB   PRO  38          1HB       PRO  38   5.641   9.812   4.339
  269   2HB   PRO  38          2HB       PRO  38   4.550   9.287   3.093
  270   1HG   PRO  38          1HG       PRO  38   6.671   7.746   4.543
  271   2HG   PRO  38          2HG       PRO  38   5.138   7.142   3.947
  272   1HD   PRO  38          1HD       PRO  38   7.514   6.615   2.725
  273   2HD   PRO  38          2HD       PRO  38   6.068   6.831   1.729
  274    H    SER  39           H        SER  39   8.890   9.725   3.420
  275    HA   SER  39           HA       SER  39   8.730  12.384   4.449
  276   1HB   SER  39          1HB       SER  39  11.341  12.095   4.635
  277   2HB   SER  39          2HB       SER  39  10.285  11.182   5.648
  278    HG   SER  39           HG       SER  39  10.801   9.337   4.492
  279    H    LYS  40           H        LYS  40   9.006  11.462   1.259
  280    HA   LYS  40           HA       LYS  40  10.437  13.932   0.402
  281   1HB   LYS  40          1HB       LYS  40   9.883  11.195  -0.900
  282   2HB   LYS  40          2HB       LYS  40  10.507  12.521  -1.808
  283   1HG   LYS  40          1HG       LYS  40  12.251  10.883  -1.099
  284   2HG   LYS  40          2HG       LYS  40  12.609  12.532  -0.602
  285   1HD   LYS  40          1HD       LYS  40  12.061  12.099   1.670
  286   2HD   LYS  40          2HD       LYS  40  11.248  10.584   1.285
  287   1HE   LYS  40          1HE       LYS  40  13.421   9.524   0.800
  288   2HE   LYS  40          2HE       LYS  40  14.262  11.038   1.134
  289   1HZ   LYS  40          1HZ       LYS  40  12.435   9.791   3.107
  290   2HZ   LYS  40          2HZ       LYS  40  14.095   9.429   3.043
  291   3HZ   LYS  40          3HZ       LYS  40  13.536  10.999   3.357
  292    H    PHE  41           H        PHE  41   7.391  13.081   1.145
  293    HA   PHE  41           HA       PHE  41   6.247  14.353  -1.292
  294   1HB   PHE  41          1HB       PHE  41   5.076  12.243   0.557
  295   2HB   PHE  41          2HB       PHE  41   4.124  13.156  -0.575
  296    HD1  PHE  41           HD1      PHE  41   7.085  10.901  -0.480
  297    HD2  PHE  41           HD2      PHE  41   3.952  12.567  -2.829
  298    HE1  PHE  41           HE1      PHE  41   7.637   9.356  -2.296
  299    HE2  PHE  41           HE2      PHE  41   4.491  11.019  -4.654
  300    HZ   PHE  41           HZ       PHE  41   6.342   9.403  -4.406
  301    HA   PRO  42           HA       PRO  42   4.816  17.299   1.938
  302   1HB   PRO  42          1HB       PRO  42   3.942  19.229   0.120
  303   2HB   PRO  42          2HB       PRO  42   5.583  19.118   0.731
  304   1HG   PRO  42          1HG       PRO  42   4.541  18.092  -1.903
  305   2HG   PRO  42          2HG       PRO  42   6.041  18.961  -1.605
  306   1HD   PRO  42          1HD       PRO  42   5.930  16.232  -1.898
  307   2HD   PRO  42          2HD       PRO  42   7.121  16.961  -0.817
  308    H    ASN  43           H        ASN  43   3.565  15.544  -0.679
  309    HA   ASN  43           HA       ASN  43   0.766  16.057  -0.337
  310   1HB   ASN  43          1HB       ASN  43   2.060  15.020  -2.382
  311   2HB   ASN  43          2HB       ASN  43   2.116  13.524  -1.484
  312   1HD2  ASN  43          1HD2      ASN  43  -1.295  14.786  -3.324
  313   2HD2  ASN  43          2HD2      ASN  43   0.091  15.809  -3.242
  314    H    LYS  44           H        LYS  44  -0.361  13.429   0.068
  315    HA   LYS  44           HA       LYS  44   0.913  12.287   2.393
  316   1HB   LYS  44          1HB       LYS  44  -1.310  12.507   3.757
  317   2HB   LYS  44          2HB       LYS  44  -0.122  13.742   3.836
  318   1HG   LYS  44          1HG       LYS  44  -2.455  13.965   1.882
  319   2HG   LYS  44          2HG       LYS  44  -2.638  14.364   3.557
  320   1HD   LYS  44          1HD       LYS  44  -0.872  15.848   1.562
  321   2HD   LYS  44          2HD       LYS  44  -2.281  16.383   2.388
  322   1HE   LYS  44          1HE       LYS  44  -0.785  17.394   3.791
  323   2HE   LYS  44          2HE       LYS  44  -0.823  15.844   4.603
  324   1HZ   LYS  44          1HZ       LYS  44   1.203  15.269   3.209
  325   2HZ   LYS  44          2HZ       LYS  44   1.202  16.847   2.689
  326   3HZ   LYS  44          3HZ       LYS  44   1.413  16.526   4.325
  327    H    ASN  45           H        ASN  45   0.575  11.522  -0.135
  328    HA   ASN  45           HA       ASN  45  -1.636   9.774  -0.502
  329   1HB   ASN  45          1HB       ASN  45  -0.228   8.800  -2.375
  330   2HB   ASN  45          2HB       ASN  45  -0.476  10.544  -2.488
  331   1HD2  ASN  45          1HD2      ASN  45   3.131   9.825  -3.159
  332   2HD2  ASN  45          2HD2      ASN  45   1.693   9.250  -3.913
  333    H    LEU  46           H        LEU  46   1.821   9.084   0.243
  334    HA   LEU  46           HA       LEU  46   1.086   6.333   0.910
  335   1HB   LEU  46          1HB       LEU  46   3.694   7.809   1.533
  336   2HB   LEU  46          2HB       LEU  46   3.407   6.123   1.781
  337    HG   LEU  46           HG       LEU  46   4.414   5.861  -0.170
  338   1HD1  LEU  46          1HD1      LEU  46   2.093   5.178  -0.772
  339   2HD1  LEU  46          2HD1      LEU  46   1.814   6.772  -1.475
  340   3HD1  LEU  46          3HD1      LEU  46   3.035   5.706  -2.153
  341   1HD2  LEU  46          1HD2      LEU  46   3.722   8.695  -0.998
  342   2HD2  LEU  46          2HD2      LEU  46   5.242   8.119  -0.339
  343   3HD2  LEU  46          3HD2      LEU  46   4.723   7.589  -1.931
  344    H    LYS  47           H        LYS  47   1.193   5.356   2.953
  345    HA   LYS  47           HA       LYS  47   0.796   7.236   5.198
  346   1HB   LYS  47          1HB       LYS  47  -1.341   5.937   4.091
  347   2HB   LYS  47          2HB       LYS  47  -0.845   4.655   5.074
  348   1HG   LYS  47          1HG       LYS  47  -2.080   5.773   6.735
  349   2HG   LYS  47          2HG       LYS  47  -0.696   6.807   6.884
  350   1HD   LYS  47          1HD       LYS  47  -3.287   7.268   5.407
  351   2HD   LYS  47          2HD       LYS  47  -2.582   8.257   6.630
  352   1HE   LYS  47          1HE       LYS  47  -0.890   9.158   5.051
  353   2HE   LYS  47          2HE       LYS  47  -1.347   8.009   3.816
  354   1HZ   LYS  47          1HZ       LYS  47  -3.521   8.961   3.718
  355   2HZ   LYS  47          2HZ       LYS  47  -3.109  10.136   4.810
  356   3HZ   LYS  47          3HZ       LYS  47  -2.298  10.046   3.309
  357    H    LYS  48           H        LYS  48   0.284   4.690   6.823
  358    HA   LYS  48           HA       LYS  48   3.011   4.254   7.593
  359   1HB   LYS  48          1HB       LYS  48   0.555   2.534   8.316
  360   2HB   LYS  48          2HB       LYS  48   2.093   2.493   9.120
  361   1HG   LYS  48          1HG       LYS  48   0.211   4.907   9.012
  362   2HG   LYS  48          2HG       LYS  48   0.357   3.786  10.332
  363   1HD   LYS  48          1HD       LYS  48   2.784   4.423  10.595
  364   2HD   LYS  48          2HD       LYS  48   2.585   5.620   9.336
  365   1HE   LYS  48          1HE       LYS  48   0.836   6.791  10.708
  366   2HE   LYS  48          2HE       LYS  48   1.025   5.587  11.975
  367   1HZ   LYS  48          1HZ       LYS  48   3.305   6.268  12.239
  368   2HZ   LYS  48          2HZ       LYS  48   3.123   7.431  11.020
  369   3HZ   LYS  48          3HZ       LYS  48   2.236   7.563  12.458
  370    H    ASN  49           H        ASN  49   0.952   1.448   6.873
  371    HA   ASN  49           HA       ASN  49   2.712   0.626   4.635
  372   1HB   ASN  49          1HB       ASN  49   2.699  -1.687   5.607
  373   2HB   ASN  49          2HB       ASN  49   3.468  -0.568   6.718
  374   1HD2  ASN  49          1HD2      ASN  49   1.130  -2.866   8.517
  375   2HD2  ASN  49          2HD2      ASN  49   2.336  -3.127   7.327
  376    H    TYR  50           H        TYR  50  -0.079   1.777   5.174
  377    HA   TYR  50           HA       TYR  50  -1.821  -0.384   4.298
  378   1HB   TYR  50          1HB       TYR  50  -2.465   2.608   4.411
  379   2HB   TYR  50          2HB       TYR  50  -3.628   1.308   4.424
  380    HD1  TYR  50           HD1      TYR  50  -2.365  -0.586   6.417
  381    HD2  TYR  50           HD2      TYR  50  -2.812   3.669   6.483
  382    HE1  TYR  50           HE1      TYR  50  -2.145  -0.616   8.829
  383    HE2  TYR  50           HE2      TYR  50  -2.597   3.637   8.934
  384    HH   TYR  50           HH       TYR  50  -1.368   1.091  10.639
  385    H    CYS  51           H        CYS  51  -2.618  -0.780   2.337
  386    HA   CYS  51           HA       CYS  51  -0.981  -0.252   0.180
  387   1HB   CYS  51          1HB       CYS  51  -3.906  -1.030  -0.170
  388   2HB   CYS  51          2HB       CYS  51  -2.537  -1.632  -1.040
  389    H    ARG  52           H        ARG  52  -1.087   1.048  -1.689
  390    HA   ARG  52           HA       ARG  52  -3.171   3.129  -1.827
  391   1HB   ARG  52          1HB       ARG  52  -0.138   3.682  -1.922
  392   2HB   ARG  52          2HB       ARG  52  -1.351   4.903  -2.213
  393   1HG   ARG  52          1HG       ARG  52  -0.960   3.493   0.433
  394   2HG   ARG  52          2HG       ARG  52  -0.447   5.097   0.019
  395   1HD   ARG  52          1HD       ARG  52  -3.361   4.177   0.128
  396   2HD   ARG  52          2HD       ARG  52  -2.545   5.219   1.275
  397    HE   ARG  52           HE       ARG  52  -2.279   6.878  -0.285
  398   1HH1  ARG  52          1HH1      ARG  52  -4.833   4.588  -0.960
  399   2HH1  ARG  52          2HH1      ARG  52  -5.396   5.252  -2.451
  400   1HH2  ARG  52          1HH2      ARG  52  -3.221   8.106  -1.999
  401   2HH2  ARG  52          2HH2      ARG  52  -4.642   7.572  -2.806
  402    H    ASN  53           H        ASN  53  -2.156   4.552  -3.958
  403    HA   ASN  53           HA       ASN  53  -1.603   2.597  -6.060
  404   1HB   ASN  53          1HB       ASN  53  -4.301   3.728  -5.523
  405   2HB   ASN  53          2HB       ASN  53  -3.792   4.304  -7.091
  406   1HD2  ASN  53          1HD2      ASN  53  -5.413   1.498  -8.222
  407   2HD2  ASN  53          2HD2      ASN  53  -5.707   3.114  -7.618
  408    HA   PRO  54           HA       PRO  54   0.587   6.711  -6.246
  409   1HB   PRO  54          1HB       PRO  54   2.894   4.899  -6.949
  410   2HB   PRO  54          2HB       PRO  54   2.874   6.284  -5.875
  411   1HG   PRO  54          1HG       PRO  54   2.947   3.755  -4.868
  412   2HG   PRO  54          2HG       PRO  54   2.018   5.022  -4.082
  413   1HD   PRO  54          1HD       PRO  54   0.941   2.822  -5.843
  414   2HD   PRO  54          2HD       PRO  54   0.291   3.510  -4.354
  415    H    ASP  55           H        ASP  55   1.233   3.859  -8.298
  416    HA   ASP  55           HA       ASP  55   1.306   5.474 -10.741
  417   1HB   ASP  55          1HB       ASP  55   2.067   3.315 -11.735
  418   2HB   ASP  55          2HB       ASP  55   2.997   3.648 -10.288
  419    H    ARG  56           H        ARG  56  -0.968   4.277  -8.807
  420    HA   ARG  56           HA       ARG  56  -2.836   3.359  -8.794
  421   1HB   ARG  56          1HB       ARG  56  -4.656   4.424  -9.997
  422   2HB   ARG  56          2HB       ARG  56  -3.651   5.378  -9.036
  423   1HG   ARG  56          1HG       ARG  56  -2.856   5.225 -11.969
  424   2HG   ARG  56          2HG       ARG  56  -4.295   6.114 -11.571
  425   1HD   ARG  56          1HD       ARG  56  -1.548   6.701 -10.340
  426   2HD   ARG  56          2HD       ARG  56  -2.396   7.704 -11.535
  427    HE   ARG  56           HE       ARG  56  -4.290   7.517  -9.727
  428   1HH1  ARG  56          1HH1      ARG  56  -0.824   7.932  -8.935
  429   2HH1  ARG  56          2HH1      ARG  56  -1.177   8.811  -7.509
  430   1HH2  ARG  56          1HH2      ARG  56  -4.662   8.221  -7.772
  431   2HH2  ARG  56          2HH2      ARG  56  -3.473   8.991  -6.767
  432    H    GLU  57           H        GLU  57  -2.135   1.478  -9.061
  433    HA   GLU  57           HA       GLU  57  -2.395  -0.147 -11.407
  434   1HB   GLU  57          1HB       GLU  57  -0.831  -0.538  -9.484
  435   2HB   GLU  57          2HB       GLU  57  -2.179  -0.550  -8.379
  436   1HG   GLU  57          1HG       GLU  57  -1.309  -2.776  -8.658
  437   2HG   GLU  57          2HG       GLU  57  -2.950  -2.744  -9.235
  438    H    LEU  58           H        LEU  58  -3.950  -2.124 -11.165
  439    HA   LEU  58           HA       LEU  58  -6.627  -1.110 -11.129
  440   1HB   LEU  58          1HB       LEU  58  -5.948  -3.097 -12.456
  441   2HB   LEU  58          2HB       LEU  58  -5.559  -3.984 -11.010
  442    HG   LEU  58           HG       LEU  58  -7.928  -3.970 -10.315
  443   1HD1  LEU  58          1HD1      LEU  58  -8.466  -2.562 -12.974
  444   2HD1  LEU  58          2HD1      LEU  58  -9.704  -3.250 -11.926
  445   3HD1  LEU  58          3HD1      LEU  58  -8.745  -1.892 -11.366
  446   1HD2  LEU  58          1HD2      LEU  58  -7.053  -5.866 -11.640
  447   2HD2  LEU  58          2HD2      LEU  58  -8.751  -5.578 -12.002
  448   3HD2  LEU  58          3HD2      LEU  58  -7.508  -5.051 -13.135
  449    H    ARG  59           H        ARG  59  -5.103  -3.468  -9.011
  450    HA   ARG  59           HA       ARG  59  -6.966  -2.852  -6.805
  451   1HB   ARG  59          1HB       ARG  59  -6.544  -5.224  -7.654
  452   2HB   ARG  59          2HB       ARG  59  -4.876  -5.048  -7.227
  453   1HG   ARG  59          1HG       ARG  59  -5.563  -6.226  -5.416
  454   2HG   ARG  59          2HG       ARG  59  -5.829  -4.646  -4.772
  455   1HD   ARG  59          1HD       ARG  59  -7.983  -6.409  -6.139
  456   2HD   ARG  59          2HD       ARG  59  -7.615  -6.476  -4.426
  457    HE   ARG  59           HE       ARG  59  -8.361  -3.865  -5.611
  458   1HH1  ARG  59          1HH1      ARG  59  -9.503  -6.693  -3.604
  459   2HH1  ARG  59          2HH1      ARG  59 -10.536  -5.651  -2.706
  460   1HH2  ARG  59          1HH2      ARG  59  -9.918  -2.715  -4.414
  461   2HH2  ARG  59          2HH2      ARG  59 -10.777  -3.517  -3.113
  462    HA   PRO  61           HA       PRO  61  -3.672  -0.226  -5.201
  463   1HB   PRO  61          1HB       PRO  61  -4.390   0.021  -2.538
  464   2HB   PRO  61          2HB       PRO  61  -5.309   0.768  -3.833
  465   1HG   PRO  61          1HG       PRO  61  -5.817  -1.898  -2.539
  466   2HG   PRO  61          2HG       PRO  61  -7.005  -0.598  -2.735
  467   1HD   PRO  61          1HD       PRO  61  -6.831  -2.764  -4.420
  468   2HD   PRO  61          2HD       PRO  61  -7.190  -1.190  -5.134
  469    H    TRP  62           H        TRP  62  -1.662  -0.529  -4.322
  470    HA   TRP  62           HA       TRP  62  -1.185  -3.180  -2.991
  471   1HB   TRP  62          1HB       TRP  62   0.885  -3.383  -4.433
  472   2HB   TRP  62          2HB       TRP  62  -0.551  -3.244  -5.421
  473    HD1  TRP  62           HD1      TRP  62  -0.925  -0.944  -6.784
  474    HE1  TRP  62           HE1      TRP  62   0.689   0.970  -7.411
  475    HE3  TRP  62           HE3      TRP  62   2.889  -2.086  -3.660
  476    HZ2  TRP  62           HZ2      TRP  62   3.209   1.919  -6.523
  477    HZ3  TRP  62           HZ3      TRP  62   4.884  -0.653  -3.526
  478    HH2  TRP  62           HH2      TRP  62   5.047   1.361  -4.955
  479    H    CYS  63           H        CYS  63   1.006  -3.337  -2.086
  480    HA   CYS  63           HA       CYS  63   2.467  -0.955  -1.430
  481   1HB   CYS  63          1HB       CYS  63   2.400  -1.550   1.153
  482   2HB   CYS  63          2HB       CYS  63   1.166  -0.546   0.476
  483    H    PHE  64           H        PHE  64   4.419  -1.616  -0.097
  484    HA   PHE  64           HA       PHE  64   5.493  -3.885  -1.537
  485   1HB   PHE  64          1HB       PHE  64   6.704  -2.096   0.644
  486   2HB   PHE  64          2HB       PHE  64   7.612  -3.310  -0.236
  487    HD1  PHE  64           HD1      PHE  64   7.666  -3.178  -2.789
  488    HD2  PHE  64           HD2      PHE  64   6.493   0.105  -0.315
  489    HE1  PHE  64           HE1      PHE  64   8.097  -1.606  -4.654
  490    HE2  PHE  64           HE2      PHE  64   6.969   1.661  -2.167
  491    HZ   PHE  64           HZ       PHE  64   7.794   0.769  -4.342
  492    H    THR  65           H        THR  65   6.245  -5.868  -0.592
  493    HA   THR  65           HA       THR  65   4.701  -6.493   1.898
  494    HB   THR  65           HB       THR  65   4.793  -8.740   1.400
  495    HG1  THR  65           HG1      THR  65   6.886  -8.421  -0.443
  496   1HG2  THR  65          1HG2      THR  65   3.349  -7.709  -0.247
  497   2HG2  THR  65          2HG2      THR  65   4.674  -7.486  -1.385
  498   3HG2  THR  65          3HG2      THR  65   4.139  -9.107  -0.953
  499    H    THR  66           H        THR  66   5.876  -8.086   3.454
  500    HA   THR  66           HA       THR  66   8.377  -6.848   4.183
  501    HB   THR  66           HB       THR  66   8.172  -8.731   5.995
  502    HG1  THR  66           HG1      THR  66   6.790 -10.085   4.693
  503   1HG2  THR  66          1HG2      THR  66   5.819  -6.801   5.630
  504   2HG2  THR  66          2HG2      THR  66   6.254  -7.629   7.118
  505   3HG2  THR  66          3HG2      THR  66   7.344  -6.431   6.427
  506    H    ASP  67           H        ASP  67   7.548  -9.299   1.900
  507    HA   ASP  67           HA       ASP  67   9.926 -10.906   2.403
  508   1HB   ASP  67          1HB       ASP  67   7.918 -12.080   1.724
  509   2HB   ASP  67          2HB       ASP  67   7.786 -11.104   0.261
  510    HA   PRO  68           HA       PRO  68  12.286  -8.117  -0.274
  511   1HB   PRO  68          1HB       PRO  68  14.262 -10.394  -0.344
  512   2HB   PRO  68          2HB       PRO  68  14.543  -8.714   0.080
  513   1HG   PRO  68          1HG       PRO  68  14.423 -10.696   1.981
  514   2HG   PRO  68          2HG       PRO  68  13.797  -9.087   2.307
  515   1HD   PRO  68          1HD       PRO  68  12.203 -11.557   1.641
  516   2HD   PRO  68          2HD       PRO  68  11.847 -10.217   2.755
  517    H    ASN  69           H        ASN  69  10.951 -11.092  -1.270
  518    HA   ASN  69           HA       ASN  69  12.175 -10.873  -3.975
  519   1HB   ASN  69          1HB       ASN  69  10.313 -13.137  -3.059
  520   2HB   ASN  69          2HB       ASN  69  11.334 -13.090  -4.448
  521   1HD2  ASN  69          1HD2      ASN  69  12.735 -14.239  -0.803
  522   2HD2  ASN  69          2HD2      ASN  69  11.133 -13.664  -0.988
  523    H    LYS  70           H        LYS  70   9.087 -11.066  -2.222
  524    HA   LYS  70           HA       LYS  70   7.627 -10.213  -4.628
  525   1HB   LYS  70          1HB       LYS  70   6.748 -11.932  -2.885
  526   2HB   LYS  70          2HB       LYS  70   6.548 -10.630  -1.789
  527   1HG   LYS  70          1HG       LYS  70   4.412 -10.891  -2.795
  528   2HG   LYS  70          2HG       LYS  70   5.045  -9.464  -3.558
  529   1HD   LYS  70          1HD       LYS  70   5.737 -11.979  -5.006
  530   2HD   LYS  70          2HD       LYS  70   4.030 -11.793  -4.816
  531   1HE   LYS  70          1HE       LYS  70   5.820  -9.643  -6.083
  532   2HE   LYS  70          2HE       LYS  70   4.934 -10.871  -6.972
  533   1HZ   LYS  70          1HZ       LYS  70   2.876  -9.965  -5.958
  534   2HZ   LYS  70          2HZ       LYS  70   3.808  -8.674  -5.374
  535   3HZ   LYS  70          3HZ       LYS  70   3.668  -8.917  -7.014
  536    H    ARG  71           H        ARG  71   8.947  -8.348  -4.700
  537    HA   ARG  71           HA       ARG  71   9.232  -6.299  -2.886
  538   1HB   ARG  71          1HB       ARG  71  10.370  -6.199  -4.997
  539   2HB   ARG  71          2HB       ARG  71   8.908  -6.261  -5.922
  540   1HG   ARG  71          1HG       ARG  71   8.331  -3.935  -5.263
  541   2HG   ARG  71          2HG       ARG  71   9.731  -3.846  -4.228
  542   1HD   ARG  71          1HD       ARG  71  11.237  -3.790  -6.075
  543   2HD   ARG  71          2HD       ARG  71  10.062  -4.504  -7.195
  544    HE   ARG  71           HE       ARG  71   8.756  -2.269  -6.688
  545   1HH1  ARG  71          1HH1      ARG  71  12.168  -2.751  -7.380
  546   2HH1  ARG  71          2HH1      ARG  71  12.356  -1.259  -8.220
  547   1HH2  ARG  71          1HH2      ARG  71   8.949  -0.344  -7.781
  548   2HH2  ARG  71          2HH2      ARG  71  10.453   0.194  -8.408
  549    H    TRP  72           H        TRP  72   6.829  -5.848  -5.473
  550    HA   TRP  72           HA       TRP  72   5.069  -4.472  -3.525
  551   1HB   TRP  72          1HB       TRP  72   3.992  -3.457  -5.462
  552   2HB   TRP  72          2HB       TRP  72   5.690  -3.130  -5.570
  553    HD1  TRP  72           HD1      TRP  72   7.166  -4.734  -7.388
  554    HE1  TRP  72           HE1      TRP  72   6.405  -5.450  -9.710
  555    HE3  TRP  72           HE3      TRP  72   2.156  -4.245  -6.743
  556    HZ2  TRP  72           HZ2      TRP  72   3.926  -5.714 -11.124
  557    HZ3  TRP  72           HZ3      TRP  72   0.614  -4.660  -8.644
  558    HH2  TRP  72           HH2      TRP  72   1.486  -5.337 -10.812
  559    H    GLU  73           H        GLU  73   2.806  -5.018  -3.376
  560    HA   GLU  73           HA       GLU  73   1.898  -7.029  -5.164
  561   1HB   GLU  73          1HB       GLU  73   3.038  -8.482  -3.321
  562   2HB   GLU  73          2HB       GLU  73   1.991  -7.782  -2.185
  563   1HG   GLU  73          1HG       GLU  73   1.068  -9.978  -2.813
  564   2HG   GLU  73          2HG       GLU  73  -0.034  -8.805  -3.458
  565    H    LEU  74           H        LEU  74  -0.163  -7.334  -5.268
  566    HA   LEU  74           HA       LEU  74  -1.759  -5.004  -4.722
  567   1HB   LEU  74          1HB       LEU  74  -2.689  -7.801  -5.571
  568   2HB   LEU  74          2HB       LEU  74  -3.562  -6.315  -5.804
  569    HG   LEU  74           HG       LEU  74  -0.976  -7.079  -7.212
  570   1HD1  LEU  74          1HD1      LEU  74  -2.948  -8.379  -7.956
  571   2HD1  LEU  74          2HD1      LEU  74  -3.844  -6.892  -8.243
  572   3HD1  LEU  74          3HD1      LEU  74  -2.422  -7.264  -9.213
  573   1HD2  LEU  74          1HD2      LEU  74  -2.679  -4.554  -7.448
  574   2HD2  LEU  74          2HD2      LEU  74  -0.980  -4.659  -7.014
  575   3HD2  LEU  74          3HD2      LEU  74  -1.504  -5.054  -8.646
  576    H    CYS  75           H        CYS  75  -3.320  -4.689  -3.184
  577    HA   CYS  75           HA       CYS  75  -3.606  -6.654  -0.978
  578   1HB   CYS  75          1HB       CYS  75  -4.186  -3.662  -1.193
  579   2HB   CYS  75          2HB       CYS  75  -4.549  -4.618   0.229
  580    H    ASP  76           H        ASP  76  -5.503  -7.533  -0.412
  581    HA   ASP  76           HA       ASP  76  -7.683  -6.838  -2.291
  582   1HB   ASP  76          1HB       ASP  76  -7.282  -9.281  -1.762
  583   2HB   ASP  76          2HB       ASP  76  -7.920  -8.995  -0.158
  584    H    ILE  77           H        ILE  77  -8.235  -4.950  -1.789
  585    HA   ILE  77           HA       ILE  77  -8.957  -4.157   0.954
  586    HB   ILE  77           HB       ILE  77  -8.787  -2.630  -1.680
  587   1HG1  ILE  77          1HG1      ILE  77  -6.619  -3.289  -1.069
  588   2HG1  ILE  77          2HG1      ILE  77  -6.767  -1.589  -0.675
  589   1HG2  ILE  77          1HG2      ILE  77 -10.374  -1.442  -0.231
  590   2HG2  ILE  77          2HG2      ILE  77  -9.177  -1.371   1.064
  591   3HG2  ILE  77          3HG2      ILE  77  -8.864  -0.562  -0.457
  592   1HD1  ILE  77          1HD1      ILE  77  -7.176  -2.182   1.709
  593   2HD1  ILE  77          2HD1      ILE  77  -6.789  -3.869   1.342
  594   3HD1  ILE  77          3HD1      ILE  77  -5.570  -2.617   1.140
  595    HA   PRO  78           HA       PRO  78 -13.122  -5.269   0.222
  596   1HB   PRO  78          1HB       PRO  78 -14.410  -3.859   2.264
  597   2HB   PRO  78          2HB       PRO  78 -13.408  -5.279   2.501
  598   1HG   PRO  78          1HG       PRO  78 -12.597  -2.399   2.815
  599   2HG   PRO  78          2HG       PRO  78 -12.225  -3.732   3.908
  600   1HD   PRO  78          1HD       PRO  78 -10.428  -2.811   2.078
  601   2HD   PRO  78          2HD       PRO  78 -10.502  -4.536   2.483
  602    H    ARG  79           H        ARG  79 -14.593  -4.791  -1.182
  603    HA   ARG  79           HA       ARG  79 -14.877  -2.085  -2.166
  604   1HB   ARG  79          1HB       ARG  79 -15.158  -3.888  -3.760
  605   2HB   ARG  79          2HB       ARG  79 -16.317  -4.716  -2.758
  606   1HG   ARG  79          1HG       ARG  79 -18.043  -3.051  -3.184
  607   2HG   ARG  79          2HG       ARG  79 -16.919  -1.980  -3.976
  608   1HD   ARG  79          1HD       ARG  79 -17.518  -4.789  -5.045
  609   2HD   ARG  79          2HD       ARG  79 -18.429  -3.344  -5.543
  610    HE   ARG  79           HE       ARG  79 -15.872  -2.549  -5.897
  611   1HH1  ARG  79          1HH1      ARG  79 -17.696  -5.338  -7.010
  612   2HH1  ARG  79          2HH1      ARG  79 -16.863  -5.483  -8.511
  613   1HH2  ARG  79          1HH2      ARG  79 -14.821  -2.656  -7.791
  614   2HH2  ARG  79          2HH2      ARG  79 -15.093  -3.888  -8.984
  615    H    CYS  80           H        CYS  80 -16.771  -0.749  -1.883
  616    HA   CYS  80           HA       CYS  80 -18.058  -1.070   0.711
  617   1HB   CYS  80          1HB       CYS  80 -18.878   0.744  -1.614
  618   2HB   CYS  80          2HB       CYS  80 -19.510   0.852   0.010
  619    H    THR  81           H        THR  81 -19.001  -3.125   0.681
  620    HA   THR  81           HA       THR  81 -21.698  -3.177  -0.241
  621    HB   THR  81           HB       THR  81 -20.616  -3.768  -2.385
  622    HG1  THR  81           HG1      THR  81 -21.901  -5.885  -1.092
  623   1HG2  THR  81          1HG2      THR  81 -18.452  -4.703  -1.564
  624   2HG2  THR  81          2HG2      THR  81 -19.280  -6.122  -0.948
  625   3HG2  THR  81          3HG2      THR  81 -19.248  -5.804  -2.680
  626    H1   AMH  84           H1       AMH  84   6.051  -1.667  -9.566
  627   1H2   AMH  84          1H2       AMH  84   5.979   0.703 -10.484
  628   2H2   AMH  84          2H2       AMH  84   4.776   1.090  -9.231
  629   1H3   AMH  84          1H3       AMH  84   3.783   0.495 -11.512
  630   2H3   AMH  84          2H3       AMH  84   4.537  -1.083 -11.313
  631    H4   AMH  84           H4       AMH  84   2.371   0.092  -9.501
  632   1H5   AMH  84          1H5       AMH  84   2.495  -2.012  -8.288
  633   2H5   AMH  84          2H5       AMH  84   3.648  -2.644  -9.458
  634   1H6   AMH  84          1H6       AMH  84   4.851  -2.036  -7.410
  635   2H6   AMH  84          2H6       AMH  84   4.257  -0.418  -7.487
  636   1H7   AMH  84          1H7       AMH  84   1.156  -2.088 -10.350
  637   2H7   AMH  84          2H7       AMH  84   1.239  -0.681 -11.436
  638   1HN   AMH  84          1HN       AMH  84   3.269  -2.784 -11.524
  639   2HN   AMH  84          2HN       AMH  84   1.859  -2.922 -12.326
  640   3HN   AMH  84          3HN       AMH  84   2.864  -1.688 -12.665
  Start of MODEL    6
    1   1H    THR  -4          1H        THR  -4 -10.697   3.263   9.945
    2   2H    THR  -4          2H        THR  -4 -11.108   2.007  10.952
    3   3H    THR  -4          3H        THR  -4 -10.981   1.759   9.309
    4    HA   THR  -4           HA       THR  -4 -13.079   1.952   9.287
    5    HB   THR  -4           HB       THR  -4 -13.189   3.709  11.778
    6    HG1  THR  -4           HG1      THR  -4 -12.639   1.738  12.972
    7   1HG2  THR  -4          1HG2      THR  -4 -15.294   2.753  10.745
    8   2HG2  THR  -4          2HG2      THR  -4 -14.686   1.125  11.030
    9   3HG2  THR  -4          3HG2      THR  -4 -15.068   2.185  12.389
   10    H    SER  -3           H        SER  -3 -11.460   3.555   7.777
   11    HA   SER  -3           HA       SER  -3 -13.101   5.883   7.301
   12   1HB   SER  -3          1HB       SER  -3 -11.006   7.448   7.750
   13   2HB   SER  -3          2HB       SER  -3 -11.781   6.810   9.185
   14    HG   SER  -3           HG       SER  -3  -9.594   5.518   7.937
   15    H    GLU  -2           H        GLU  -2 -12.916   6.238   5.099
   16    HA   GLU  -2           HA       GLU  -2 -12.338   5.799   3.001
   17   1HB   GLU  -2          1HB       GLU  -2  -9.486   6.385   3.935
   18   2HB   GLU  -2          2HB       GLU  -2 -10.201   6.783   2.401
   19   1HG   GLU  -2          1HG       GLU  -2 -10.765   8.080   5.112
   20   2HG   GLU  -2          2HG       GLU  -2 -10.081   8.826   3.695
   21    H    GLU  -1           H        GLU  -1 -12.734   3.621   4.245
   22    HA   GLU  -1           HA       GLU  -1 -10.524   1.738   3.763
   23   1HB   GLU  -1          1HB       GLU  -1 -12.330   2.098   5.892
   24   2HB   GLU  -1          2HB       GLU  -1 -12.901   0.636   5.181
   25   1HG   GLU  -1          1HG       GLU  -1 -11.103  -0.590   5.960
   26   2HG   GLU  -1          2HG       GLU  -1  -9.931   0.602   5.467
   27    H    CYS   1           H        CYS   1 -13.923   2.214   2.723
   28    HA   CYS   1           HA       CYS   1 -13.405   0.007   0.811
   29   1HB   CYS   1          1HB       CYS   1 -15.608  -0.669   0.751
   30   2HB   CYS   1          2HB       CYS   1 -15.387  -0.364   2.431
   31    H    MET   2           H        MET   2 -13.656   0.336  -1.258
   32    HA   MET   2           HA       MET   2 -14.499   2.969  -2.354
   33   1HB   MET   2          1HB       MET   2 -11.829   1.471  -2.704
   34   2HB   MET   2          2HB       MET   2 -12.450   2.380  -4.061
   35   1HG   MET   2          1HG       MET   2 -10.775   3.594  -2.705
   36   2HG   MET   2          2HG       MET   2 -12.229   4.472  -3.094
   37   1HE   MET   2          1HE       MET   2 -10.160   2.609  -0.602
   38   2HE   MET   2          2HE       MET   2 -10.923   2.835   0.971
   39   3HE   MET   2          3HE       MET   2 -11.569   1.682  -0.215
   40    H    HIS   3           H        HIS   3 -14.505   2.624  -4.845
   41    HA   HIS   3           HA       HIS   3 -16.357   0.513  -5.368
   42   1HB   HIS   3          1HB       HIS   3 -14.647   2.094  -7.384
   43   2HB   HIS   3          2HB       HIS   3 -16.085   1.172  -7.781
   44    HD1  HIS   3           HD1      HIS   3 -17.835   2.189  -5.282
   45    HD2  HIS   3           HD2      HIS   3 -15.611   4.584  -7.920
   46    HE1  HIS   3           HE1      HIS   3 -18.830   4.523  -5.205
   47    H    GLY   4           H        GLY   4 -12.887   0.856  -5.784
   48   1HA   GLY   4          1HA       GLY   4 -12.278  -1.824  -5.413
   49   2HA   GLY   4          2HA       GLY   4 -12.583  -1.700  -7.162
   50    H    SER   5           H        SER   5 -11.491   1.130  -7.252
   51    HA   SER   5           HA       SER   5  -8.949   0.403  -8.131
   52   1HB   SER   5          1HB       SER   5  -8.854   3.026  -8.345
   53   2HB   SER   5          2HB       SER   5 -10.155   2.170  -9.185
   54    HG   SER   5           HG       SER   5 -11.001   3.919  -7.867
   55    H    GLY   6           H        GLY   6 -10.073   2.181  -5.361
   56   1HA   GLY   6          1HA       GLY   6  -9.051   2.257  -3.204
   57   2HA   GLY   6          2HA       GLY   6  -7.609   1.491  -3.868
   58    H    GLU   7           H        GLU   7  -8.663   4.190  -5.727
   59    HA   GLU   7           HA       GLU   7  -6.264   5.597  -5.169
   60   1HB   GLU   7          1HB       GLU   7  -7.581   5.985  -7.224
   61   2HB   GLU   7          2HB       GLU   7  -8.887   6.688  -6.309
   62   1HG   GLU   7          1HG       GLU   7  -7.510   8.436  -7.396
   63   2HG   GLU   7          2HG       GLU   7  -7.445   8.616  -5.659
   64    H    ASN   8           H        ASN   8  -9.466   5.859  -3.793
   65    HA   ASN   8           HA       ASN   8  -8.541   7.915  -1.860
   66   1HB   ASN   8          1HB       ASN   8 -10.781   7.995  -3.180
   67   2HB   ASN   8          2HB       ASN   8 -11.385   6.762  -2.117
   68   1HD2  ASN   8          1HD2      ASN   8 -11.629   8.962   0.752
   69   2HD2  ASN   8          2HD2      ASN   8 -11.179   7.377   0.330
   70    H    TYR   9           H        TYR   9  -7.626   4.989  -1.879
   71    HA   TYR   9           HA       TYR   9  -8.874   4.007   0.579
   72   1HB   TYR   9          1HB       TYR   9  -8.259   2.202  -1.116
   73   2HB   TYR   9          2HB       TYR   9  -6.638   2.831  -1.171
   74    HD1  TYR   9           HD1      TYR   9  -9.101   1.890   1.524
   75    HD2  TYR   9           HD2      TYR   9  -5.134   1.616  -0.009
   76    HE1  TYR   9           HE1      TYR   9  -8.383   0.909   3.617
   77    HE2  TYR   9           HE2      TYR   9  -4.388   0.610   2.069
   78    HH   TYR   9           HH       TYR   9  -5.145  -0.264   4.177
   79    H    ASP  10           H        ASP  10  -8.209   4.785   2.439
   80    HA   ASP  10           HA       ASP  10  -5.506   4.327   3.106
   81   1HB   ASP  10          1HB       ASP  10  -5.261   6.844   4.125
   82   2HB   ASP  10          2HB       ASP  10  -4.439   6.199   2.734
   83    H    GLY  11           H        GLY  11  -6.791   2.805   4.206
   84   1HA   GLY  11          1HA       GLY  11  -8.013   3.875   6.665
   85   2HA   GLY  11          2HA       GLY  11  -8.557   2.472   5.741
   86    H    LYS  12           H        LYS  12  -7.908   0.659   6.521
   87    HA   LYS  12           HA       LYS  12  -5.412   0.500   8.215
   88   1HB   LYS  12          1HB       LYS  12  -8.047  -0.915   8.785
   89   2HB   LYS  12          2HB       LYS  12  -6.617  -1.077   9.751
   90   1HG   LYS  12          1HG       LYS  12  -8.314   1.430   9.391
   91   2HG   LYS  12          2HG       LYS  12  -8.196   0.450  10.815
   92   1HD   LYS  12          1HD       LYS  12  -6.087   2.321   9.665
   93   2HD   LYS  12          2HD       LYS  12  -6.914   2.471  11.176
   94   1HE   LYS  12          1HE       LYS  12  -4.834   0.333  10.464
   95   2HE   LYS  12          2HE       LYS  12  -4.571   1.728  11.488
   96   1HZ   LYS  12          1HZ       LYS  12  -6.418  -0.497  12.043
   97   2HZ   LYS  12          2HZ       LYS  12  -4.882  -0.250  12.726
   98   3HZ   LYS  12          3HZ       LYS  12  -6.142   0.843  13.051
   99    H    ILE  13           H        ILE  13  -6.801  -0.891   5.510
  100    HA   ILE  13           HA       ILE  13  -5.876  -3.611   6.028
  101    HB   ILE  13           HB       ILE  13  -6.554  -2.455   3.293
  102   1HG1  ILE  13          1HG1      ILE  13  -8.760  -3.961   3.920
  103   2HG1  ILE  13          2HG1      ILE  13  -8.385  -3.368   5.504
  104   1HG2  ILE  13          1HG2      ILE  13  -6.409  -5.332   4.288
  105   2HG2  ILE  13          2HG2      ILE  13  -7.006  -4.849   2.708
  106   3HG2  ILE  13          3HG2      ILE  13  -5.331  -4.560   3.123
  107   1HD1  ILE  13          1HD1      ILE  13  -8.788  -1.628   3.001
  108   2HD1  ILE  13          2HD1      ILE  13 -10.015  -1.920   4.221
  109   3HD1  ILE  13          3HD1      ILE  13  -8.567  -1.019   4.640
  110    H    SER  14           H        SER  14  -4.014  -4.370   5.698
  111    HA   SER  14           HA       SER  14  -1.956  -3.189   3.958
  112   1HB   SER  14          1HB       SER  14  -1.272  -2.014   5.894
  113   2HB   SER  14          2HB       SER  14  -1.810  -3.214   7.021
  114    HG   SER  14           HG       SER  14  -0.014  -4.501   6.369
  115    H    LYS  15           H        LYS  15  -3.472  -5.466   3.469
  116    HA   LYS  15           HA       LYS  15  -1.447  -7.578   3.911
  117   1HB   LYS  15          1HB       LYS  15  -4.491  -7.901   4.214
  118   2HB   LYS  15          2HB       LYS  15  -3.305  -9.166   4.247
  119   1HG   LYS  15          1HG       LYS  15  -3.365  -8.870   6.523
  120   2HG   LYS  15          2HG       LYS  15  -2.199  -7.647   6.185
  121   1HD   LYS  15          1HD       LYS  15  -4.648  -6.265   5.865
  122   2HD   LYS  15          2HD       LYS  15  -5.036  -7.405   7.112
  123   1HE   LYS  15          1HE       LYS  15  -2.767  -5.357   7.150
  124   2HE   LYS  15          2HE       LYS  15  -4.216  -5.273   8.129
  125   1HZ   LYS  15          1HZ       LYS  15  -2.278  -7.483   8.296
  126   2HZ   LYS  15          2HZ       LYS  15  -1.972  -6.076   8.999
  127   3HZ   LYS  15          3HZ       LYS  15  -3.360  -6.969   9.516
  128    H    THR  16           H        THR  16  -0.784  -8.429   2.058
  129    HA   THR  16           HA       THR  16  -2.125  -7.506  -0.311
  130    HB   THR  16           HB       THR  16  -0.354  -8.324  -1.561
  131    HG1  THR  16           HG1      THR  16   1.137  -9.751  -0.737
  132   1HG2  THR  16          1HG2      THR  16   0.019  -6.201  -0.305
  133   2HG2  THR  16          2HG2      THR  16   0.742  -7.094   1.034
  134   3HG2  THR  16          3HG2      THR  16   1.532  -7.042  -0.518
  135    H    MET  17           H        MET  17  -3.122  -8.540  -1.712
  136    HA   MET  17           HA       MET  17  -5.021 -10.329  -1.013
  137   1HB   MET  17          1HB       MET  17  -5.820 -10.094  -3.278
  138   2HB   MET  17          2HB       MET  17  -4.959  -8.651  -2.936
  139   1HG   MET  17          1HG       MET  17  -2.982  -9.506  -4.244
  140   2HG   MET  17          2HG       MET  17  -3.825 -11.001  -4.535
  141   1HE   MET  17          1HE       MET  17  -5.489 -11.503  -6.093
  142   2HE   MET  17          2HE       MET  17  -6.776 -10.521  -5.389
  143   3HE   MET  17          3HE       MET  17  -6.402 -10.404  -7.127
  144    H    SER  18           H        SER  18  -1.866 -11.078  -2.359
  145    HA   SER  18           HA       SER  18  -2.438 -13.948  -1.892
  146   1HB   SER  18          1HB       SER  18  -1.073 -14.286  -4.189
  147   2HB   SER  18          2HB       SER  18  -2.788 -13.974  -4.187
  148    HG   SER  18           HG       SER  18  -0.882 -11.916  -4.493
  149    H    GLY  19           H        GLY  19  -1.130 -12.260  -0.080
  150   1HA   GLY  19          1HA       GLY  19   1.335 -13.825  -0.075
  151   2HA   GLY  19          2HA       GLY  19   1.644 -12.147  -0.464
  152    H    LEU  20           H        LEU  20   1.345 -10.541   1.253
  153    HA   LEU  20           HA       LEU  20   1.586 -11.779   3.947
  154   1HB   LEU  20          1HB       LEU  20   3.658  -9.985   2.539
  155   2HB   LEU  20          2HB       LEU  20   3.887 -10.686   4.106
  156    HG   LEU  20           HG       LEU  20   3.671 -12.332   1.551
  157   1HD1  LEU  20          1HD1      LEU  20   5.592 -10.844   1.349
  158   2HD1  LEU  20          2HD1      LEU  20   6.202 -11.373   2.916
  159   3HD1  LEU  20          3HD1      LEU  20   6.088 -12.509   1.571
  160   1HD2  LEU  20          1HD2      LEU  20   3.185 -13.610   3.651
  161   2HD2  LEU  20          2HD2      LEU  20   4.683 -14.129   2.892
  162   3HD2  LEU  20          3HD2      LEU  20   4.734 -13.087   4.311
  163    H    GLU  21           H        GLU  21   2.367 -10.032   5.476
  164    HA   GLU  21           HA       GLU  21   0.529  -7.809   5.465
  165   1HB   GLU  21          1HB       GLU  21   1.450  -9.027   7.524
  166   2HB   GLU  21          2HB       GLU  21   3.020  -8.350   7.191
  167   1HG   GLU  21          1HG       GLU  21   2.046  -6.979   8.907
  168   2HG   GLU  21          2HG       GLU  21   1.984  -6.001   7.460
  169    H    CYS  22           H        CYS  22   0.958  -5.736   4.789
  170    HA   CYS  22           HA       CYS  22   3.273  -5.357   3.104
  171   1HB   CYS  22          1HB       CYS  22   0.984  -3.519   3.899
  172   2HB   CYS  22          2HB       CYS  22   2.406  -2.881   3.086
  173    H    GLN  23           H        GLN  23   4.809  -4.037   3.193
  174    HA   GLN  23           HA       GLN  23   6.046  -3.354   5.776
  175   1HB   GLN  23          1HB       GLN  23   7.317  -4.777   4.234
  176   2HB   GLN  23          2HB       GLN  23   6.977  -3.761   2.875
  177   1HG   GLN  23          1HG       GLN  23   8.419  -2.224   4.963
  178   2HG   GLN  23          2HG       GLN  23   9.264  -3.696   4.522
  179   1HE2  GLN  23          1HE2      GLN  23   8.668  -0.722   1.769
  180   2HE2  GLN  23          2HE2      GLN  23   7.707  -0.769   3.159
  181    H    ALA  24           H        ALA  24   6.323  -1.278   6.331
  182    HA   ALA  24           HA       ALA  24   4.575   0.572   5.207
  183   1HB   ALA  24          1HB       ALA  24   5.242   0.664   7.573
  184   2HB   ALA  24          2HB       ALA  24   6.905   1.034   7.133
  185   3HB   ALA  24          3HB       ALA  24   5.629   2.217   6.838
  186    H    TRP  25           H        TRP  25   4.868   2.668   4.308
  187    HA   TRP  25           HA       TRP  25   6.559   2.618   2.010
  188   1HB   TRP  25          1HB       TRP  25   4.888   4.902   3.222
  189   2HB   TRP  25          2HB       TRP  25   5.629   4.952   1.632
  190    HD1  TRP  25           HD1      TRP  25   2.540   3.630   3.416
  191    HE1  TRP  25           HE1      TRP  25   1.006   2.499   1.751
  192    HE3  TRP  25           HE3      TRP  25   5.706   3.476  -0.562
  193    HZ2  TRP  25           HZ2      TRP  25   1.134   1.629  -0.945
  194    HZ3  TRP  25           HZ3      TRP  25   4.936   2.501  -2.712
  195    HH2  TRP  25           HH2      TRP  25   2.636   1.580  -2.897
  196    H    ASP  26           H        ASP  26   7.504   3.289   5.155
  197    HA   ASP  26           HA       ASP  26   9.099   5.630   4.561
  198   1HB   ASP  26          1HB       ASP  26   9.874   5.226   7.008
  199   2HB   ASP  26          2HB       ASP  26   8.185   5.519   6.749
  200    H    SER  27           H        SER  27  11.251   4.106   6.379
  201    HA   SER  27           HA       SER  27  12.459   2.460   4.247
  202   1HB   SER  27          1HB       SER  27  13.404   4.812   4.062
  203   2HB   SER  27          2HB       SER  27  13.967   4.693   5.738
  204    HG   SER  27           HG       SER  27  15.641   4.064   4.223
  205    H    GLN  28           H        GLN  28  13.021   0.622   5.011
  206    HA   GLN  28           HA       GLN  28  13.708   0.302   7.832
  207   1HB   GLN  28          1HB       GLN  28  11.754  -1.253   8.190
  208   2HB   GLN  28          2HB       GLN  28  11.367   0.418   7.999
  209   1HG   GLN  28          1HG       GLN  28  10.436  -1.867   6.349
  210   2HG   GLN  28          2HG       GLN  28   9.657  -0.384   6.782
  211   1HE2  GLN  28          1HE2      GLN  28  10.128   1.243   3.767
  212   2HE2  GLN  28          2HE2      GLN  28   9.409   1.240   5.324
  213    H    SER  29           H        SER  29  12.428  -1.901   5.411
  214    HA   SER  29           HA       SER  29  14.684  -3.188   4.517
  215   1HB   SER  29          1HB       SER  29  14.359  -5.369   5.994
  216   2HB   SER  29          2HB       SER  29  15.070  -4.014   6.840
  217    HG   SER  29           HG       SER  29  12.274  -4.327   6.850
  218    HA   PRO  30           HA       PRO  30  14.608  -5.694   3.568
  219   1HB   PRO  30          1HB       PRO  30  13.732  -5.726   0.685
  220   2HB   PRO  30          2HB       PRO  30  14.394  -7.028   1.652
  221   1HG   PRO  30          1HG       PRO  30  11.726  -6.931   1.120
  222   2HG   PRO  30          2HG       PRO  30  12.246  -7.350   2.750
  223   1HD   PRO  30          1HD       PRO  30  11.384  -4.619   1.738
  224   2HD   PRO  30          2HD       PRO  30  10.797  -5.449   3.185
  225    H    HIS  31           H        HIS  31  13.592  -2.715   1.911
  226    HA   HIS  31           HA       HIS  31  16.273  -1.820   1.923
  227   1HB   HIS  31          1HB       HIS  31  15.607  -3.399  -0.424
  228   2HB   HIS  31          2HB       HIS  31  15.574  -1.755  -0.991
  229    HD1  HIS  31           HD1      HIS  31  17.856  -3.905   1.160
  230    HD2  HIS  31           HD2      HIS  31  18.025  -0.793  -1.652
  231    HE1  HIS  31           HE1      HIS  31  20.334  -3.423   0.702
  232    H    ALA  32           H        ALA  32  16.517   0.293   0.927
  233    HA   ALA  32           HA       ALA  32  14.215   1.946   1.506
  234   1HB   ALA  32          1HB       ALA  32  16.557   2.678   2.031
  235   2HB   ALA  32          2HB       ALA  32  16.956   2.686   0.314
  236   3HB   ALA  32          3HB       ALA  32  15.779   3.832   0.952
  237    H    HIS  33           H        HIS  33  12.864   0.975   0.045
  238    HA   HIS  33           HA       HIS  33  13.093   1.077  -2.812
  239   1HB   HIS  33          1HB       HIS  33  10.598   0.414  -2.648
  240   2HB   HIS  33          2HB       HIS  33  11.637  -0.544  -1.615
  241    HD1  HIS  33           HD1      HIS  33   9.683   2.742  -1.162
  242    HD2  HIS  33           HD2      HIS  33  10.889  -0.684   0.970
  243    HE1  HIS  33           HE1      HIS  33   8.751   2.954   1.130
  244    H    GLY  34           H        GLY  34  11.191   2.131  -4.081
  245   1HA   GLY  34          1HA       GLY  34  11.489   5.017  -3.770
  246   2HA   GLY  34          2HA       GLY  34  10.597   4.156  -5.045
  247    H    TYR  36           H        TYR  36   9.337   6.268  -4.319
  248    HA   TYR  36           HA       TYR  36   7.427   7.165  -3.545
  249   1HB   TYR  36          1HB       TYR  36   6.418   4.422  -2.683
  250   2HB   TYR  36          2HB       TYR  36   5.462   5.793  -3.178
  251    HD1  TYR  36           HD1      TYR  36   5.610   6.497  -5.708
  252    HD2  TYR  36           HD2      TYR  36   7.162   2.867  -4.150
  253    HE1  TYR  36           HE1      TYR  36   5.702   5.552  -7.983
  254    HE2  TYR  36           HE2      TYR  36   7.277   1.901  -6.372
  255    HH   TYR  36           HH       TYR  36   7.138   2.387  -8.682
  256    H    ILE  37           H        ILE  37   9.247   7.725  -2.017
  257    HA   ILE  37           HA       ILE  37   8.896   6.714   0.725
  258    HB   ILE  37           HB       ILE  37  10.947   8.624  -0.473
  259   1HG1  ILE  37          1HG1      ILE  37  11.251   5.680   0.275
  260   2HG1  ILE  37          2HG1      ILE  37  11.084   6.266  -1.351
  261   1HG2  ILE  37          1HG2      ILE  37  10.655   9.014   1.975
  262   2HG2  ILE  37          2HG2      ILE  37  10.940   7.306   2.287
  263   3HG2  ILE  37          3HG2      ILE  37  12.222   8.330   1.641
  264   1HD1  ILE  37          1HD1      ILE  37  13.197   7.627  -1.088
  265   2HD1  ILE  37          2HD1      ILE  37  13.432   6.882   0.496
  266   3HD1  ILE  37          3HD1      ILE  37  13.438   5.888  -0.947
  267    HA   PRO  38           HA       PRO  38   5.971  10.078   1.351
  268   1HB   PRO  38          1HB       PRO  38   6.871   9.905   4.232
  269   2HB   PRO  38          2HB       PRO  38   5.235   9.890   3.598
  270   1HG   PRO  38          1HG       PRO  38   6.570   7.608   4.448
  271   2HG   PRO  38          2HG       PRO  38   5.362   7.552   3.185
  272   1HD   PRO  38          1HD       PRO  38   8.298   7.283   2.890
  273   2HD   PRO  38          2HD       PRO  38   6.989   6.801   1.781
  274    H    SER  39           H        SER  39   9.271  10.309   2.672
  275    HA   SER  39           HA       SER  39   9.288  12.936   3.455
  276   1HB   SER  39          1HB       SER  39  11.646  11.518   2.116
  277   2HB   SER  39          2HB       SER  39  11.665  12.607   3.516
  278    HG   SER  39           HG       SER  39  11.749  10.384   4.216
  279    H    LYS  40           H        LYS  40   9.041  11.722   0.255
  280    HA   LYS  40           HA       LYS  40  10.091  14.230  -0.969
  281   1HB   LYS  40          1HB       LYS  40   9.343  11.484  -2.135
  282   2HB   LYS  40          2HB       LYS  40   9.933  12.823  -3.079
  283   1HG   LYS  40          1HG       LYS  40  12.042  12.839  -1.669
  284   2HG   LYS  40          2HG       LYS  40  11.468  11.390  -0.850
  285   1HD   LYS  40          1HD       LYS  40  11.438  10.165  -3.016
  286   2HD   LYS  40          2HD       LYS  40  11.958  11.611  -3.853
  287   1HE   LYS  40          1HE       LYS  40  14.082  11.628  -2.474
  288   2HE   LYS  40          2HE       LYS  40  13.577  10.127  -1.712
  289   1HZ   LYS  40          1HZ       LYS  40  14.090  10.520  -4.593
  290   2HZ   LYS  40          2HZ       LYS  40  15.115   9.757  -3.480
  291   3HZ   LYS  40          3HZ       LYS  40  13.615   9.067  -3.861
  292    H    PHE  41           H        PHE  41   7.242  13.263   0.316
  293    HA   PHE  41           HA       PHE  41   5.658  14.444  -1.916
  294   1HB   PHE  41          1HB       PHE  41   4.893  12.276   0.077
  295   2HB   PHE  41          2HB       PHE  41   3.774  13.045  -1.023
  296    HD1  PHE  41           HD1      PHE  41   3.916  12.708  -3.450
  297    HD2  PHE  41           HD2      PHE  41   6.624  10.764  -0.803
  298    HE1  PHE  41           HE1      PHE  41   4.532  11.132  -5.237
  299    HE2  PHE  41           HE2      PHE  41   7.266   9.215  -2.576
  300    HZ   PHE  41           HZ       PHE  41   6.222   9.384  -4.821
  301    HA   PRO  42           HA       PRO  42   4.535  17.315   1.495
  302   1HB   PRO  42          1HB       PRO  42   3.574  19.319  -0.181
  303   2HB   PRO  42          2HB       PRO  42   5.257  19.157   0.287
  304   1HG   PRO  42          1HG       PRO  42   3.981  18.239  -2.284
  305   2HG   PRO  42          2HG       PRO  42   5.516  19.076  -2.083
  306   1HD   PRO  42          1HD       PRO  42   5.321  16.358  -2.450
  307   2HD   PRO  42          2HD       PRO  42   6.625  17.043  -1.472
  308    H    ASN  43           H        ASN  43   3.121  15.607  -1.047
  309    HA   ASN  43           HA       ASN  43   0.351  16.137  -0.577
  310   1HB   ASN  43          1HB       ASN  43   1.533  15.072  -2.665
  311   2HB   ASN  43          2HB       ASN  43   1.654  13.589  -1.749
  312   1HD2  ASN  43          1HD2      ASN  43  -1.857  14.795  -3.438
  313   2HD2  ASN  43          2HD2      ASN  43  -0.482  15.837  -3.428
  314    H    LYS  44           H        LYS  44  -0.722  13.473  -0.093
  315    HA   LYS  44           HA       LYS  44   0.639  12.451   2.251
  316   1HB   LYS  44          1HB       LYS  44  -1.633  12.583   3.575
  317   2HB   LYS  44          2HB       LYS  44  -0.477  13.849   3.675
  318   1HG   LYS  44          1HG       LYS  44  -2.800  13.993   1.698
  319   2HG   LYS  44          2HG       LYS  44  -2.976  14.439   3.363
  320   1HD   LYS  44          1HD       LYS  44  -1.262  15.895   1.302
  321   2HD   LYS  44          2HD       LYS  44  -2.663  16.428   2.139
  322   1HE   LYS  44          1HE       LYS  44  -1.170  17.505   3.485
  323   2HE   LYS  44          2HE       LYS  44  -1.150  15.979   4.338
  324   1HZ   LYS  44          1HZ       LYS  44   0.868  15.417   2.943
  325   2HZ   LYS  44          2HZ       LYS  44   0.826  16.968   2.356
  326   3HZ   LYS  44          3HZ       LYS  44   1.059  16.725   4.000
  327    H    ASN  45           H        ASN  45   0.534  11.561  -0.134
  328    HA   ASN  45           HA       ASN  45  -1.604   9.706  -0.589
  329   1HB   ASN  45          1HB       ASN  45  -0.112   8.814  -2.409
  330   2HB   ASN  45          2HB       ASN  45  -0.413  10.543  -2.530
  331   1HD2  ASN  45          1HD2      ASN  45   3.236   9.904  -3.115
  332   2HD2  ASN  45          2HD2      ASN  45   1.847   9.248  -3.875
  333    H    LEU  46           H        LEU  46   1.874   9.190   0.203
  334    HA   LEU  46           HA       LEU  46   1.300   6.456   0.982
  335   1HB   LEU  46          1HB       LEU  46   3.781   8.165   1.573
  336   2HB   LEU  46          2HB       LEU  46   3.627   6.476   1.929
  337    HG   LEU  46           HG       LEU  46   4.633   6.094   0.011
  338   1HD1  LEU  46          1HD1      LEU  46   2.340   5.335  -0.621
  339   2HD1  LEU  46          2HD1      LEU  46   2.070   6.882  -1.428
  340   3HD1  LEU  46          3HD1      LEU  46   3.333   5.795  -1.987
  341   1HD2  LEU  46          1HD2      LEU  46   3.918   8.853  -1.005
  342   2HD2  LEU  46          2HD2      LEU  46   5.435   8.330  -0.279
  343   3HD2  LEU  46          3HD2      LEU  46   4.947   7.693  -1.840
  344    H    LYS  47           H        LYS  47   1.652   5.546   3.031
  345    HA   LYS  47           HA       LYS  47   1.038   7.292   5.290
  346   1HB   LYS  47          1HB       LYS  47  -0.912   5.821   3.906
  347   2HB   LYS  47          2HB       LYS  47  -0.603   4.706   5.123
  348   1HG   LYS  47          1HG       LYS  47  -1.870   6.012   6.595
  349   2HG   LYS  47          2HG       LYS  47  -0.860   7.399   6.335
  350   1HD   LYS  47          1HD       LYS  47  -3.179   6.528   4.577
  351   2HD   LYS  47          2HD       LYS  47  -3.219   7.847   5.720
  352   1HE   LYS  47          1HE       LYS  47  -1.365   8.994   4.337
  353   2HE   LYS  47          2HE       LYS  47  -1.552   7.739   3.140
  354   1HZ   LYS  47          1HZ       LYS  47  -3.880   8.457   2.825
  355   2HZ   LYS  47          2HZ       LYS  47  -3.650   9.663   3.929
  356   3HZ   LYS  47          3HZ       LYS  47  -2.726   9.648   2.521
  357    H    LYS  48           H        LYS  48   0.565   4.670   6.854
  358    HA   LYS  48           HA       LYS  48   3.416   4.033   7.207
  359   1HB   LYS  48          1HB       LYS  48   0.975   2.775   8.591
  360   2HB   LYS  48          2HB       LYS  48   2.618   2.314   8.903
  361   1HG   LYS  48          1HG       LYS  48   1.423   5.055   9.430
  362   2HG   LYS  48          2HG       LYS  48   1.922   3.874  10.605
  363   1HD   LYS  48          1HD       LYS  48   3.698   5.531   8.764
  364   2HD   LYS  48          2HD       LYS  48   3.609   5.616  10.494
  365   1HE   LYS  48          1HE       LYS  48   4.682   3.371  10.715
  366   2HE   LYS  48          2HE       LYS  48   4.671   3.163   8.975
  367   1HZ   LYS  48          1HZ       LYS  48   6.142   5.038   8.751
  368   2HZ   LYS  48          2HZ       LYS  48   6.253   5.175  10.443
  369   3HZ   LYS  48          3HZ       LYS  48   6.797   3.806   9.588
  370    H    ASN  49           H        ASN  49   1.222   1.232   7.221
  371    HA   ASN  49           HA       ASN  49   2.589   0.349   4.713
  372   1HB   ASN  49          1HB       ASN  49   2.367  -1.956   5.637
  373   2HB   ASN  49          2HB       ASN  49   3.416  -0.951   6.622
  374   1HD2  ASN  49          1HD2      ASN  49   1.267  -2.998   8.812
  375   2HD2  ASN  49          2HD2      ASN  49   2.290  -3.306   7.455
  376    H    TYR  50           H        TYR  50  -0.024   1.767   5.428
  377    HA   TYR  50           HA       TYR  50  -1.942  -0.133   4.354
  378   1HB   TYR  50          1HB       TYR  50  -2.206   2.903   4.713
  379   2HB   TYR  50          2HB       TYR  50  -3.533   1.788   4.517
  380    HD1  TYR  50           HD1      TYR  50  -2.991  -0.445   6.260
  381    HD2  TYR  50           HD2      TYR  50  -2.168   3.699   6.928
  382    HE1  TYR  50           HE1      TYR  50  -2.929  -0.856   8.665
  383    HE2  TYR  50           HE2      TYR  50  -2.134   3.283   9.359
  384    HH   TYR  50           HH       TYR  50  -1.613   0.564  10.726
  385    H    CYS  51           H        CYS  51  -2.430  -0.489   2.390
  386    HA   CYS  51           HA       CYS  51  -0.779   0.059   0.285
  387   1HB   CYS  51          1HB       CYS  51  -3.746  -0.583  -0.038
  388   2HB   CYS  51          2HB       CYS  51  -2.431  -1.206  -0.993
  389    H    ARG  52           H        ARG  52  -1.129   1.206  -1.779
  390    HA   ARG  52           HA       ARG  52  -3.031   3.409  -1.822
  391   1HB   ARG  52          1HB       ARG  52   0.023   3.830  -1.626
  392   2HB   ARG  52          2HB       ARG  52  -0.996   5.061  -2.295
  393   1HG   ARG  52          1HG       ARG  52  -1.224   4.097   0.556
  394   2HG   ARG  52          2HG       ARG  52  -0.499   5.558  -0.016
  395   1HD   ARG  52          1HD       ARG  52  -3.457   4.818  -0.202
  396   2HD   ARG  52          2HD       ARG  52  -2.753   6.150   0.712
  397    HE   ARG  52           HE       ARG  52  -1.949   6.796  -1.708
  398   1HH1  ARG  52          1HH1      ARG  52  -5.183   6.000  -0.383
  399   2HH1  ARG  52          2HH1      ARG  52  -6.001   6.782  -1.699
  400   1HH2  ARG  52          1HH2      ARG  52  -3.258   7.742  -3.535
  401   2HH2  ARG  52          2HH2      ARG  52  -4.962   7.631  -3.463
  402    H    ASN  53           H        ASN  53  -2.117   4.855  -3.809
  403    HA   ASN  53           HA       ASN  53  -1.762   3.007  -6.100
  404   1HB   ASN  53          1HB       ASN  53  -3.953   5.098  -5.528
  405   2HB   ASN  53          2HB       ASN  53  -3.697   4.612  -7.159
  406   1HD2  ASN  53          1HD2      ASN  53  -5.481   1.636  -6.875
  407   2HD2  ASN  53          2HD2      ASN  53  -4.669   2.653  -7.960
  408    HA   PRO  54           HA       PRO  54   0.915   6.997  -5.988
  409   1HB   PRO  54          1HB       PRO  54   3.025   4.939  -6.731
  410   2HB   PRO  54          2HB       PRO  54   3.183   6.334  -5.689
  411   1HG   PRO  54          1HG       PRO  54   2.988   3.818  -4.662
  412   2HG   PRO  54          2HG       PRO  54   2.257   5.198  -3.858
  413   1HD   PRO  54          1HD       PRO  54   0.841   3.074  -5.438
  414   2HD   PRO  54          2HD       PRO  54   0.343   4.018  -4.031
  415    H    ASP  55           H        ASP  55   1.205   4.177  -7.982
  416    HA   ASP  55           HA       ASP  55   1.404   5.680 -10.537
  417   1HB   ASP  55          1HB       ASP  55   2.141   3.299 -11.324
  418   2HB   ASP  55          2HB       ASP  55   3.198   4.054 -10.144
  419    H    ARG  56           H        ARG  56  -0.912   4.886  -8.667
  420    HA   ARG  56           HA       ARG  56  -2.735   3.678  -8.609
  421   1HB   ARG  56          1HB       ARG  56  -4.489   4.861 -10.042
  422   2HB   ARG  56          2HB       ARG  56  -3.658   5.728  -8.858
  423   1HG   ARG  56          1HG       ARG  56  -2.574   5.821 -11.696
  424   2HG   ARG  56          2HG       ARG  56  -3.904   6.827 -11.196
  425   1HD   ARG  56          1HD       ARG  56  -1.112   6.925  -9.921
  426   2HD   ARG  56          2HD       ARG  56  -1.872   8.163 -10.926
  427    HE   ARG  56           HE       ARG  56  -3.669   7.734  -8.898
  428   1HH1  ARG  56          1HH1      ARG  56  -0.191   8.454  -8.800
  429   2HH1  ARG  56          2HH1      ARG  56  -0.366   9.630  -7.561
  430   1HH2  ARG  56          1HH2      ARG  56  -3.749   8.723  -6.948
  431   2HH2  ARG  56          2HH2      ARG  56  -2.469   9.729  -6.379
  432    H    GLU  57           H        GLU  57  -1.844   1.885  -8.966
  433    HA   GLU  57           HA       GLU  57  -2.188   0.227 -11.238
  434   1HB   GLU  57          1HB       GLU  57  -0.705  -0.133  -9.199
  435   2HB   GLU  57          2HB       GLU  57  -2.138  -0.246  -8.209
  436   1HG   GLU  57          1HG       GLU  57  -1.115  -2.424  -8.547
  437   2HG   GLU  57          2HG       GLU  57  -2.741  -2.415  -9.174
  438    H    LEU  58           H        LEU  58  -3.733  -1.645 -11.156
  439    HA   LEU  58           HA       LEU  58  -6.401  -0.711 -11.186
  440   1HB   LEU  58          1HB       LEU  58  -5.569  -2.668 -12.492
  441   2HB   LEU  58          2HB       LEU  58  -5.289  -3.568 -11.029
  442    HG   LEU  58           HG       LEU  58  -7.710  -3.601 -10.540
  443   1HD1  LEU  58          1HD1      LEU  58  -8.034  -2.165 -13.219
  444   2HD1  LEU  58          2HD1      LEU  58  -9.348  -2.892 -12.300
  445   3HD1  LEU  58          3HD1      LEU  58  -8.472  -1.526 -11.634
  446   1HD2  LEU  58          1HD2      LEU  58  -6.689  -5.466 -11.806
  447   2HD2  LEU  58          2HD2      LEU  58  -8.353  -5.201 -12.313
  448   3HD2  LEU  58          3HD2      LEU  58  -7.025  -4.639 -13.325
  449    H    ARG  59           H        ARG  59  -4.818  -2.896  -8.916
  450    HA   ARG  59           HA       ARG  59  -6.917  -2.400  -6.877
  451   1HB   ARG  59          1HB       ARG  59  -6.409  -4.747  -7.775
  452   2HB   ARG  59          2HB       ARG  59  -4.798  -4.584  -7.171
  453   1HG   ARG  59          1HG       ARG  59  -5.720  -5.880  -5.542
  454   2HG   ARG  59          2HG       ARG  59  -5.945  -4.336  -4.810
  455   1HD   ARG  59          1HD       ARG  59  -8.079  -5.871  -6.453
  456   2HD   ARG  59          2HD       ARG  59  -7.862  -6.062  -4.729
  457    HE   ARG  59           HE       ARG  59  -8.488  -3.401  -5.953
  458   1HH1  ARG  59          1HH1      ARG  59  -9.562  -6.072  -3.775
  459   2HH1  ARG  59          2HH1      ARG  59 -10.473  -4.980  -2.797
  460   1HH2  ARG  59          1HH2      ARG  59  -9.911  -2.147  -4.698
  461   2HH2  ARG  59          2HH2      ARG  59 -10.687  -2.839  -3.281
  462    HA   PRO  61           HA       PRO  61  -3.813   0.211  -4.898
  463   1HB   PRO  61          1HB       PRO  61  -4.544   0.001  -2.197
  464   2HB   PRO  61          2HB       PRO  61  -5.430   0.949  -3.368
  465   1HG   PRO  61          1HG       PRO  61  -6.056  -1.836  -2.441
  466   2HG   PRO  61          2HG       PRO  61  -7.175  -0.487  -2.636
  467   1HD   PRO  61          1HD       PRO  61  -6.893  -2.496  -4.485
  468   2HD   PRO  61          2HD       PRO  61  -7.251  -0.862  -5.034
  469    H    TRP  62           H        TRP  62  -1.694  -0.178  -4.239
  470    HA   TRP  62           HA       TRP  62  -1.157  -2.907  -3.119
  471   1HB   TRP  62          1HB       TRP  62   0.772  -3.091  -4.662
  472   2HB   TRP  62          2HB       TRP  62  -0.646  -2.698  -5.594
  473    HD1  TRP  62           HD1      TRP  62  -0.712  -0.222  -6.739
  474    HE1  TRP  62           HE1      TRP  62   1.164   1.472  -7.252
  475    HE3  TRP  62           HE3      TRP  62   2.882  -2.109  -3.729
  476    HZ2  TRP  62           HZ2      TRP  62   3.778   2.024  -6.257
  477    HZ3  TRP  62           HZ3      TRP  62   5.056  -0.977  -3.487
  478    HH2  TRP  62           HH2      TRP  62   5.500   1.088  -4.763
  479    H    CYS  63           H        CYS  63   1.038  -3.160  -2.231
  480    HA   CYS  63           HA       CYS  63   2.542  -0.842  -1.449
  481   1HB   CYS  63          1HB       CYS  63   2.489  -1.577   1.106
  482   2HB   CYS  63          2HB       CYS  63   1.285  -0.512   0.480
  483    H    PHE  64           H        PHE  64   4.476  -1.518  -0.150
  484    HA   PHE  64           HA       PHE  64   5.608  -3.752  -1.588
  485   1HB   PHE  64          1HB       PHE  64   6.715  -2.002   0.690
  486   2HB   PHE  64          2HB       PHE  64   7.674  -3.178  -0.182
  487    HD1  PHE  64           HD1      PHE  64   7.576  -2.984  -2.825
  488    HD2  PHE  64           HD2      PHE  64   6.801   0.236  -0.114
  489    HE1  PHE  64           HE1      PHE  64   8.133  -1.330  -4.592
  490    HE2  PHE  64           HE2      PHE  64   7.409   1.852  -1.880
  491    HZ   PHE  64           HZ       PHE  64   8.167   1.023  -4.094
  492    H    THR  65           H        THR  65   6.575  -5.629  -0.532
  493    HA   THR  65           HA       THR  65   5.056  -6.320   1.973
  494    HB   THR  65           HB       THR  65   4.952  -8.514   1.397
  495    HG1  THR  65           HG1      THR  65   6.997  -8.321  -0.507
  496   1HG2  THR  65          1HG2      THR  65   3.595  -7.211  -0.201
  497   2HG2  THR  65          2HG2      THR  65   4.869  -7.274  -1.399
  498   3HG2  THR  65          3HG2      THR  65   4.091  -8.761  -0.869
  499    H    THR  66           H        THR  66   6.335  -8.204   3.206
  500    HA   THR  66           HA       THR  66   8.793  -6.944   4.045
  501    HB   THR  66           HB       THR  66   8.537  -8.982   5.681
  502    HG1  THR  66           HG1      THR  66   6.367  -9.886   5.492
  503   1HG2  THR  66          1HG2      THR  66   7.747  -6.623   6.233
  504   2HG2  THR  66          2HG2      THR  66   6.190  -6.982   5.499
  505   3HG2  THR  66          3HG2      THR  66   6.701  -7.833   6.952
  506    H    ASP  67           H        ASP  67   7.849  -9.282   1.703
  507    HA   ASP  67           HA       ASP  67  10.263 -10.913   1.941
  508   1HB   ASP  67          1HB       ASP  67   8.230 -12.057   1.372
  509   2HB   ASP  67          2HB       ASP  67   7.866 -10.920   0.081
  510    HA   PRO  68           HA       PRO  68  12.441  -8.029  -0.820
  511   1HB   PRO  68          1HB       PRO  68  14.385 -10.308  -1.105
  512   2HB   PRO  68          2HB       PRO  68  14.704  -8.654  -0.626
  513   1HG   PRO  68          1HG       PRO  68  14.690 -10.773   1.162
  514   2HG   PRO  68          2HG       PRO  68  14.224  -9.155   1.643
  515   1HD   PRO  68          1HD       PRO  68  12.426 -11.487   1.102
  516   2HD   PRO  68          2HD       PRO  68  12.223 -10.123   2.221
  517    H    ASN  69           H        ASN  69  11.139 -11.097  -1.622
  518    HA   ASN  69           HA       ASN  69  11.962 -10.869  -4.474
  519   1HB   ASN  69          1HB       ASN  69  10.360 -13.110  -3.095
  520   2HB   ASN  69          2HB       ASN  69  10.905 -13.108  -4.752
  521   1HD2  ASN  69          1HD2      ASN  69  13.362 -14.194  -1.730
  522   2HD2  ASN  69          2HD2      ASN  69  11.741 -13.651  -1.453
  523    H    LYS  70           H        LYS  70   9.040 -11.113  -2.413
  524    HA   LYS  70           HA       LYS  70   7.356 -10.256  -4.653
  525   1HB   LYS  70          1HB       LYS  70   6.679 -11.920  -2.731
  526   2HB   LYS  70          2HB       LYS  70   6.623 -10.567  -1.689
  527   1HG   LYS  70          1HG       LYS  70   4.402 -10.571  -2.306
  528   2HG   LYS  70          2HG       LYS  70   4.993  -9.542  -3.571
  529   1HD   LYS  70          1HD       LYS  70   3.749 -11.073  -4.824
  530   2HD   LYS  70          2HD       LYS  70   5.335 -11.773  -4.942
  531   1HE   LYS  70          1HE       LYS  70   3.910 -13.630  -4.424
  532   2HE   LYS  70          2HE       LYS  70   4.643 -13.260  -2.869
  533   1HZ   LYS  70          1HZ       LYS  70   2.620 -11.918  -2.386
  534   2HZ   LYS  70          2HZ       LYS  70   1.971 -12.343  -3.796
  535   3HZ   LYS  70          3HZ       LYS  70   2.173 -13.535  -2.668
  536    H    ARG  71           H        ARG  71   8.787  -8.381  -4.866
  537    HA   ARG  71           HA       ARG  71   9.231  -6.389  -2.998
  538   1HB   ARG  71          1HB       ARG  71  10.290  -6.413  -5.208
  539   2HB   ARG  71          2HB       ARG  71   8.827  -6.033  -6.027
  540   1HG   ARG  71          1HG       ARG  71   9.484  -3.990  -3.957
  541   2HG   ARG  71          2HG       ARG  71  10.819  -4.250  -5.016
  542   1HD   ARG  71          1HD       ARG  71   8.023  -3.365  -5.928
  543   2HD   ARG  71          2HD       ARG  71   9.497  -2.395  -5.835
  544    HE   ARG  71           HE       ARG  71   9.407  -4.788  -7.535
  545   1HH1  ARG  71          1HH1      ARG  71   8.993  -1.300  -7.542
  546   2HH1  ARG  71          2HH1      ARG  71   9.987  -0.976  -8.885
  547   1HH2  ARG  71          1HH2      ARG  71  10.603  -4.430  -9.525
  548   2HH2  ARG  71          2HH2      ARG  71  10.671  -2.851 -10.198
  549    H    TRP  72           H        TRP  72   6.767  -5.877  -5.539
  550    HA   TRP  72           HA       TRP  72   5.116  -4.375  -3.598
  551   1HB   TRP  72          1HB       TRP  72   4.092  -3.329  -5.553
  552   2HB   TRP  72          2HB       TRP  72   5.795  -3.076  -5.688
  553    HD1  TRP  72           HD1      TRP  72   7.139  -4.842  -7.508
  554    HE1  TRP  72           HE1      TRP  72   6.290  -5.537  -9.807
  555    HE3  TRP  72           HE3      TRP  72   2.187  -4.061  -6.766
  556    HZ2  TRP  72           HZ2      TRP  72   3.792  -5.683 -11.153
  557    HZ3  TRP  72           HZ3      TRP  72   0.577  -4.475  -8.611
  558    HH2  TRP  72           HH2      TRP  72   1.375  -5.230 -10.794
  559    H    GLU  73           H        GLU  73   2.817  -4.833  -3.550
  560    HA   GLU  73           HA       GLU  73   1.838  -6.780  -5.395
  561   1HB   GLU  73          1HB       GLU  73   3.004  -8.232  -3.554
  562   2HB   GLU  73          2HB       GLU  73   1.850  -7.583  -2.458
  563   1HG   GLU  73          1HG       GLU  73  -0.033  -8.607  -3.788
  564   2HG   GLU  73          2HG       GLU  73   1.101  -9.070  -5.035
  565    H    LEU  74           H        LEU  74  -0.297  -7.070  -5.335
  566    HA   LEU  74           HA       LEU  74  -1.795  -4.711  -4.685
  567   1HB   LEU  74          1HB       LEU  74  -2.839  -7.456  -5.583
  568   2HB   LEU  74          2HB       LEU  74  -3.656  -5.932  -5.748
  569    HG   LEU  74           HG       LEU  74  -1.135  -6.764  -7.236
  570   1HD1  LEU  74          1HD1      LEU  74  -3.162  -7.929  -8.018
  571   2HD1  LEU  74          2HD1      LEU  74  -3.989  -6.393  -8.242
  572   3HD1  LEU  74          3HD1      LEU  74  -2.586  -6.789  -9.228
  573   1HD2  LEU  74          1HD2      LEU  74  -2.661  -4.120  -7.319
  574   2HD2  LEU  74          2HD2      LEU  74  -0.964  -4.378  -6.957
  575   3HD2  LEU  74          3HD2      LEU  74  -1.571  -4.655  -8.583
  576    H    CYS  75           H        CYS  75  -3.202  -4.380  -3.083
  577    HA   CYS  75           HA       CYS  75  -3.641  -6.391  -0.955
  578   1HB   CYS  75          1HB       CYS  75  -4.159  -3.374  -1.096
  579   2HB   CYS  75          2HB       CYS  75  -4.406  -4.368   0.325
  580    H    ASP  76           H        ASP  76  -5.717  -7.188  -0.575
  581    HA   ASP  76           HA       ASP  76  -7.701  -6.113  -2.502
  582   1HB   ASP  76          1HB       ASP  76  -7.674  -8.605  -2.107
  583   2HB   ASP  76          2HB       ASP  76  -8.353  -8.324  -0.519
  584    H    ILE  77           H        ILE  77  -8.195  -4.194  -1.920
  585    HA   ILE  77           HA       ILE  77  -8.960  -3.542   0.853
  586    HB   ILE  77           HB       ILE  77  -8.521  -1.999  -1.695
  587   1HG1  ILE  77          1HG1      ILE  77  -7.046  -0.651  -0.429
  588   2HG1  ILE  77          2HG1      ILE  77  -7.753  -1.093   1.095
  589   1HG2  ILE  77          1HG2      ILE  77 -10.741  -1.062  -0.979
  590   2HG2  ILE  77          2HG2      ILE  77 -10.045  -0.703   0.597
  591   3HG2  ILE  77          3HG2      ILE  77  -9.445   0.109  -0.826
  592   1HD1  ILE  77          1HD1      ILE  77  -6.197  -3.035  -0.614
  593   2HD1  ILE  77          2HD1      ILE  77  -5.506  -2.098   0.723
  594   3HD1  ILE  77          3HD1      ILE  77  -6.748  -3.300   1.037
  595    HA   PRO  78           HA       PRO  78 -12.872  -5.141   0.128
  596   1HB   PRO  78          1HB       PRO  78 -14.410  -3.824   2.077
  597   2HB   PRO  78          2HB       PRO  78 -13.272  -5.124   2.376
  598   1HG   PRO  78          1HG       PRO  78 -12.813  -2.167   2.713
  599   2HG   PRO  78          2HG       PRO  78 -12.272  -3.466   3.781
  600   1HD   PRO  78          1HD       PRO  78 -10.624  -2.261   1.948
  601   2HD   PRO  78          2HD       PRO  78 -10.429  -3.968   2.387
  602    H    ARG  79           H        ARG  79 -13.893  -4.770  -1.591
  603    HA   ARG  79           HA       ARG  79 -14.533  -2.176  -2.577
  604   1HB   ARG  79          1HB       ARG  79 -15.617  -3.218  -4.395
  605   2HB   ARG  79          2HB       ARG  79 -14.254  -4.224  -4.025
  606   1HG   ARG  79          1HG       ARG  79 -17.182  -4.714  -3.336
  607   2HG   ARG  79          2HG       ARG  79 -16.323  -5.451  -4.625
  608   1HD   ARG  79          1HD       ARG  79 -16.116  -6.050  -1.645
  609   2HD   ARG  79          2HD       ARG  79 -16.448  -7.173  -2.941
  610    HE   ARG  79           HE       ARG  79 -14.029  -6.777  -1.729
  611   1HH1  ARG  79          1HH1      ARG  79 -15.214  -6.876  -5.016
  612   2HH1  ARG  79          2HH1      ARG  79 -13.761  -7.500  -5.704
  613   1HH2  ARG  79          1HH2      ARG  79 -12.006  -7.520  -2.610
  614   2HH2  ARG  79          2HH2      ARG  79 -11.875  -7.878  -4.245
  615    H    CYS  80           H        CYS  80 -16.430  -1.021  -2.471
  616    HA   CYS  80           HA       CYS  80 -17.939  -1.432  -0.021
  617   1HB   CYS  80          1HB       CYS  80 -18.579   0.497  -2.299
  618   2HB   CYS  80          2HB       CYS  80 -19.334   0.509  -0.729
  619    H    THR  81           H        THR  81 -18.910  -3.469  -0.216
  620    HA   THR  81           HA       THR  81 -20.892  -3.904  -2.311
  621    HB   THR  81           HB       THR  81 -21.226  -6.063  -0.902
  622    HG1  THR  81           HG1      THR  81 -20.474  -4.933   1.060
  623   1HG2  THR  81          1HG2      THR  81 -19.503  -5.975  -2.759
  624   2HG2  THR  81          2HG2      THR  81 -18.311  -5.458  -1.571
  625   3HG2  THR  81          3HG2      THR  81 -19.038  -7.048  -1.438
  626    H1   AMH  84           H1       AMH  84   6.190  -1.622  -9.609
  627   1H2   AMH  84          1H2       AMH  84   6.127   0.670 -10.583
  628   2H2   AMH  84          2H2       AMH  84   5.065   1.182  -9.256
  629   1H3   AMH  84          1H3       AMH  84   3.859   0.718 -11.394
  630   2H3   AMH  84          2H3       AMH  84   4.356  -0.973 -11.290
  631    H4   AMH  84           H4       AMH  84   2.671   0.443  -9.181
  632   1H5   AMH  84          1H5       AMH  84   2.600  -1.805  -8.166
  633   2H5   AMH  84          2H5       AMH  84   3.569  -2.441  -9.485
  634   1H6   AMH  84          1H6       AMH  84   5.083  -2.094  -7.564
  635   2H6   AMH  84          2H6       AMH  84   4.530  -0.461  -7.375
  636   1H7   AMH  84          1H7       AMH  84   1.899  -1.838 -11.101
  637   2H7   AMH  84          2H7       AMH  84   0.846  -1.045  -9.931
  638   1HN   AMH  84          1HN       AMH  84   1.224   1.020 -11.191
  639   2HN   AMH  84          2HN       AMH  84   2.014   0.141 -12.326
  640   3HN   AMH  84          3HN       AMH  84   0.445  -0.154 -12.014
  Start of MODEL    7
    1   1H    THR  -4          1H        THR  -4 -13.099   5.204  11.742
    2   2H    THR  -4          2H        THR  -4 -12.670   3.682  12.237
    3   3H    THR  -4          3H        THR  -4 -11.652   4.955  12.512
    4    HA   THR  -4           HA       THR  -4 -10.699   4.755  10.629
    5    HB   THR  -4           HB       THR  -4 -11.117   2.306  10.944
    6    HG1  THR  -4           HG1      THR  -4 -11.051   1.832   8.633
    7   1HG2  THR  -4          1HG2      THR  -4 -13.693   2.443  11.024
    8   2HG2  THR  -4          2HG2      THR  -4 -13.676   2.634   9.274
    9   3HG2  THR  -4          3HG2      THR  -4 -13.084   1.159  10.016
   10    H    SER  -3           H        SER  -3 -11.445   4.582   8.119
   11    HA   SER  -3           HA       SER  -3 -13.850   5.409   7.152
   12   1HB   SER  -3          1HB       SER  -3 -13.458   7.575   8.529
   13   2HB   SER  -3          2HB       SER  -3 -12.056   7.907   7.543
   14    HG   SER  -3           HG       SER  -3 -13.505   8.463   5.916
   15    H    GLU  -2           H        GLU  -2 -13.325   6.560   4.862
   16    HA   GLU  -2           HA       GLU  -2 -12.419   6.005   2.815
   17   1HB   GLU  -2          1HB       GLU  -2 -10.049   6.917   4.533
   18   2HB   GLU  -2          2HB       GLU  -2  -9.858   6.636   2.840
   19   1HG   GLU  -2          1HG       GLU  -2 -10.254   9.029   3.321
   20   2HG   GLU  -2          2HG       GLU  -2 -11.488   8.378   2.255
   21    H    GLU  -1           H        GLU  -1 -13.024   3.869   4.045
   22    HA   GLU  -1           HA       GLU  -1 -10.745   1.980   4.053
   23   1HB   GLU  -1          1HB       GLU  -1 -12.158   2.465   6.106
   24   2HB   GLU  -1          2HB       GLU  -1 -13.504   1.670   5.334
   25   1HG   GLU  -1          1HG       GLU  -1 -12.220  -0.479   5.292
   26   2HG   GLU  -1          2HG       GLU  -1 -10.801   0.345   5.923
   27    H    CYS   1           H        CYS   1 -13.872   2.421   2.386
   28    HA   CYS   1           HA       CYS   1 -13.202  -0.071   0.938
   29   1HB   CYS   1          1HB       CYS   1 -15.499  -0.660   0.745
   30   2HB   CYS   1          2HB       CYS   1 -15.271  -0.290   2.417
   31    H    MET   2           H        MET   2 -13.615  -0.129  -1.229
   32    HA   MET   2           HA       MET   2 -14.173   2.439  -2.636
   33   1HB   MET   2          1HB       MET   2 -11.776   0.519  -3.035
   34   2HB   MET   2          2HB       MET   2 -12.281   1.591  -4.306
   35   1HG   MET   2          1HG       MET   2 -10.363   2.323  -3.048
   36   2HG   MET   2          2HG       MET   2 -11.583   3.557  -3.268
   37   1HE   MET   2          1HE       MET   2 -11.119   0.514  -1.014
   38   2HE   MET   2          2HE       MET   2  -9.572   1.300  -0.726
   39   3HE   MET   2          3HE       MET   2 -10.799   1.154   0.568
   40    H    HIS   3           H        HIS   3 -14.361   2.021  -4.945
   41    HA   HIS   3           HA       HIS   3 -15.987  -0.366  -5.505
   42   1HB   HIS   3          1HB       HIS   3 -15.075   1.906  -7.380
   43   2HB   HIS   3          2HB       HIS   3 -16.250   0.668  -7.779
   44    HD1  HIS   3           HD1      HIS   3 -17.508   0.999  -4.660
   45    HD2  HIS   3           HD2      HIS   3 -17.082   3.841  -7.721
   46    HE1  HIS   3           HE1      HIS   3 -19.186   2.847  -4.211
   47    H    GLY   4           H        GLY   4 -12.929   1.142  -6.532
   48   1HA   GLY   4          1HA       GLY   4 -11.371  -1.168  -6.482
   49   2HA   GLY   4          2HA       GLY   4 -12.054  -1.078  -8.130
   50    H    SER   5           H        SER   5 -10.454   1.000  -5.684
   51    HA   SER   5           HA       SER   5  -8.452   1.787  -7.622
   52   1HB   SER   5          1HB       SER   5  -8.915   4.262  -7.410
   53   2HB   SER   5          2HB       SER   5 -10.137   3.355  -8.304
   54    HG   SER   5           HG       SER   5 -11.183   4.714  -6.748
   55    H    GLY   6           H        GLY   6  -9.451   3.761  -5.005
   56   1HA   GLY   6          1HA       GLY   6  -8.758   3.602  -2.694
   57   2HA   GLY   6          2HA       GLY   6  -7.397   2.583  -3.159
   58    H    GLU   7           H        GLU   7  -7.990   5.475  -5.079
   59    HA   GLU   7           HA       GLU   7  -5.445   6.401  -4.306
   60   1HB   GLU   7          1HB       GLU   7  -6.190   7.159  -6.418
   61   2HB   GLU   7          2HB       GLU   7  -7.600   7.937  -5.750
   62   1HG   GLU   7          1HG       GLU   7  -5.853   9.562  -6.413
   63   2HG   GLU   7          2HG       GLU   7  -6.267   9.704  -4.727
   64    H    ASN   8           H        ASN   8  -8.598   7.345  -2.986
   65    HA   ASN   8           HA       ASN   8  -7.039   8.817  -0.880
   66   1HB   ASN   8          1HB       ASN   8  -8.883  10.039  -2.187
   67   2HB   ASN   8          2HB       ASN   8 -10.054   9.092  -1.313
   68   1HD2  ASN   8          1HD2      ASN   8  -9.541  10.766   1.825
   69   2HD2  ASN   8          2HD2      ASN   8  -9.953   9.274   1.102
   70    H    TYR   9           H        TYR   9  -7.118   5.965  -1.052
   71    HA   TYR   9           HA       TYR   9  -8.839   5.154   1.209
   72   1HB   TYR   9          1HB       TYR   9  -8.778   3.435  -0.470
   73   2HB   TYR   9          2HB       TYR   9  -7.066   3.633  -0.762
   74    HD1  TYR   9           HD1      TYR   9  -9.503   2.412   1.741
   75    HD2  TYR   9           HD2      TYR   9  -5.453   2.446   0.413
   76    HE1  TYR   9           HE1      TYR   9  -8.940   0.755   3.441
   77    HE2  TYR   9           HE2      TYR   9  -4.845   0.878   2.141
   78    HH   TYR   9           HH       TYR   9  -5.630  -0.399   3.982
   79    H    ASP  10           H        ASP  10  -8.126   5.039   3.212
   80    HA   ASP  10           HA       ASP  10  -5.454   4.196   3.773
   81   1HB   ASP  10          1HB       ASP  10  -4.887   6.209   5.320
   82   2HB   ASP  10          2HB       ASP  10  -4.604   6.312   3.595
   83    H    GLY  11           H        GLY  11  -8.024   3.252   4.139
   84   1HA   GLY  11          1HA       GLY  11  -8.872   3.498   6.859
   85   2HA   GLY  11          2HA       GLY  11  -9.473   2.379   5.656
   86    H    LYS  12           H        LYS  12  -6.291   2.737   6.855
   87    HA   LYS  12           HA       LYS  12  -4.807   1.459   8.057
   88   1HB   LYS  12          1HB       LYS  12  -7.163   0.100   9.406
   89   2HB   LYS  12          2HB       LYS  12  -5.580   0.349  10.061
   90   1HG   LYS  12          1HG       LYS  12  -7.683   2.486   9.439
   91   2HG   LYS  12          2HG       LYS  12  -7.312   1.894  11.006
   92   1HD   LYS  12          1HD       LYS  12  -5.022   3.155   9.460
   93   2HD   LYS  12          2HD       LYS  12  -6.307   4.188   9.977
   94   1HE   LYS  12          1HE       LYS  12  -4.598   4.219  11.703
   95   2HE   LYS  12          2HE       LYS  12  -6.045   3.459  12.346
   96   1HZ   LYS  12          1HZ       LYS  12  -4.978   1.300  11.834
   97   2HZ   LYS  12          2HZ       LYS  12  -3.567   2.160  11.444
   98   3HZ   LYS  12          3HZ       LYS  12  -4.174   2.237  13.006
   99    H    ILE  13           H        ILE  13  -6.968  -0.561   6.084
  100    HA   ILE  13           HA       ILE  13  -5.715  -3.003   6.881
  101    HB   ILE  13           HB       ILE  13  -6.854  -2.588   4.096
  102   1HG1  ILE  13          1HG1      ILE  13  -8.981  -3.701   5.473
  103   2HG1  ILE  13          2HG1      ILE  13  -8.397  -2.573   6.660
  104   1HG2  ILE  13          1HG2      ILE  13  -6.656  -5.049   5.872
  105   2HG2  ILE  13          2HG2      ILE  13  -7.459  -4.989   4.310
  106   3HG2  ILE  13          3HG2      ILE  13  -5.732  -4.726   4.402
  107   1HD1  ILE  13          1HD1      ILE  13  -9.017  -1.867   3.736
  108   2HD1  ILE  13          2HD1      ILE  13 -10.186  -1.714   5.032
  109   3HD1  ILE  13          3HD1      ILE  13  -8.734  -0.723   5.031
  110    H    SER  14           H        SER  14  -3.886  -4.003   6.237
  111    HA   SER  14           HA       SER  14  -2.300  -2.849   4.028
  112   1HB   SER  14          1HB       SER  14  -1.762  -1.840   6.413
  113   2HB   SER  14          2HB       SER  14  -1.126  -3.402   6.806
  114    HG   SER  14           HG       SER  14  -0.158  -1.841   4.632
  115    H    LYS  15           H        LYS  15  -3.740  -5.382   4.232
  116    HA   LYS  15           HA       LYS  15  -1.453  -7.306   4.434
  117   1HB   LYS  15          1HB       LYS  15  -3.551  -7.452   5.903
  118   2HB   LYS  15          2HB       LYS  15  -4.440  -7.983   4.502
  119   1HG   LYS  15          1HG       LYS  15  -1.854  -9.322   5.438
  120   2HG   LYS  15          2HG       LYS  15  -3.375  -9.730   6.173
  121   1HD   LYS  15          1HD       LYS  15  -4.284 -10.674   4.174
  122   2HD   LYS  15          2HD       LYS  15  -3.093  -9.917   3.166
  123   1HE   LYS  15          1HE       LYS  15  -1.285 -11.299   4.304
  124   2HE   LYS  15          2HE       LYS  15  -2.554 -12.224   5.096
  125   1HZ   LYS  15          1HZ       LYS  15  -2.271 -11.835   2.198
  126   2HZ   LYS  15          2HZ       LYS  15  -1.636 -13.146   3.057
  127   3HZ   LYS  15          3HZ       LYS  15  -3.335 -12.926   2.950
  128    H    THR  16           H        THR  16  -0.662  -8.267   2.698
  129    HA   THR  16           HA       THR  16  -1.704  -7.595   0.145
  130    HB   THR  16           HB       THR  16   0.147  -8.402  -0.831
  131    HG1  THR  16           HG1      THR  16   0.796 -10.377  -0.122
  132   1HG2  THR  16          1HG2      THR  16   0.608  -6.442   0.511
  133   2HG2  THR  16          2HG2      THR  16   1.083  -7.429   1.903
  134   3HG2  THR  16          3HG2      THR  16   2.035  -7.461   0.437
  135    H    MET  17           H        MET  17  -2.933  -8.590  -1.109
  136    HA   MET  17           HA       MET  17  -4.793 -10.343  -0.253
  137   1HB   MET  17          1HB       MET  17  -5.679 -10.306  -2.518
  138   2HB   MET  17          2HB       MET  17  -4.943  -8.774  -2.230
  139   1HG   MET  17          1HG       MET  17  -2.982  -9.428  -3.614
  140   2HG   MET  17          2HG       MET  17  -3.596 -11.038  -3.811
  141   1HE   MET  17          1HE       MET  17  -6.122 -11.483  -4.718
  142   2HE   MET  17          2HE       MET  17  -6.205 -10.969  -6.417
  143   3HE   MET  17          3HE       MET  17  -4.756 -11.777  -5.787
  144    H    SER  18           H        SER  18  -1.844 -11.209  -2.052
  145    HA   SER  18           HA       SER  18  -2.600 -14.083  -1.822
  146   1HB   SER  18          1HB       SER  18  -0.784 -14.113  -3.786
  147   2HB   SER  18          2HB       SER  18  -2.390 -13.508  -4.109
  148    HG   SER  18           HG       SER  18  -0.274 -11.791  -3.365
  149    H    GLY  19           H        GLY  19  -1.186 -12.205   0.200
  150   1HA   GLY  19          1HA       GLY  19   0.862 -14.226   0.785
  151   2HA   GLY  19          2HA       GLY  19   1.552 -12.736   0.183
  152    H    LEU  20           H        LEU  20   1.975 -11.147   1.757
  153    HA   LEU  20           HA       LEU  20   1.605 -12.099   4.515
  154   1HB   LEU  20          1HB       LEU  20   3.726 -10.166   3.413
  155   2HB   LEU  20          2HB       LEU  20   3.793 -11.080   4.880
  156    HG   LEU  20           HG       LEU  20   3.655 -13.146   3.098
  157   1HD1  LEU  20          1HD1      LEU  20   3.672 -11.636   1.052
  158   2HD1  LEU  20          2HD1      LEU  20   5.201 -10.964   1.597
  159   3HD1  LEU  20          3HD1      LEU  20   5.095 -12.652   1.139
  160   1HD2  LEU  20          1HD2      LEU  20   5.379 -12.865   4.856
  161   2HD2  LEU  20          2HD2      LEU  20   6.126 -13.311   3.327
  162   3HD2  LEU  20          3HD2      LEU  20   6.194 -11.642   3.886
  163    H    GLU  21           H        GLU  21   2.485 -10.011   5.917
  164    HA   GLU  21           HA       GLU  21   0.444  -7.914   5.628
  165   1HB   GLU  21          1HB       GLU  21   0.893  -8.846   7.901
  166   2HB   GLU  21          2HB       GLU  21   2.595  -8.516   7.736
  167   1HG   GLU  21          1HG       GLU  21   1.609  -6.846   9.196
  168   2HG   GLU  21          2HG       GLU  21   2.143  -6.049   7.742
  169    H    CYS  22           H        CYS  22   1.066  -5.751   5.176
  170    HA   CYS  22           HA       CYS  22   3.471  -5.618   3.525
  171   1HB   CYS  22          1HB       CYS  22   1.287  -3.684   4.203
  172   2HB   CYS  22          2HB       CYS  22   2.719  -3.100   3.372
  173    H    GLN  23           H        GLN  23   4.892  -4.084   3.549
  174    HA   GLN  23           HA       GLN  23   6.266  -3.519   6.085
  175   1HB   GLN  23          1HB       GLN  23   7.418  -4.858   4.398
  176   2HB   GLN  23          2HB       GLN  23   6.918  -3.817   3.107
  177   1HG   GLN  23          1HG       GLN  23   8.587  -2.296   5.008
  178   2HG   GLN  23          2HG       GLN  23   9.379  -3.775   4.502
  179   1HE2  GLN  23          1HE2      GLN  23   8.545  -0.780   1.825
  180   2HE2  GLN  23          2HE2      GLN  23   7.746  -0.823   3.327
  181    H    ALA  24           H        ALA  24   6.674  -1.468   6.692
  182    HA   ALA  24           HA       ALA  24   4.892   0.513   5.829
  183   1HB   ALA  24          1HB       ALA  24   5.844   0.360   8.128
  184   2HB   ALA  24          2HB       ALA  24   7.416   0.887   7.517
  185   3HB   ALA  24          3HB       ALA  24   6.026   1.975   7.466
  186    H    TRP  25           H        TRP  25   5.258   2.628   5.032
  187    HA   TRP  25           HA       TRP  25   6.773   2.550   2.577
  188   1HB   TRP  25          1HB       TRP  25   5.093   4.787   3.852
  189   2HB   TRP  25          2HB       TRP  25   5.769   4.851   2.233
  190    HD1  TRP  25           HD1      TRP  25   2.812   3.412   4.161
  191    HE1  TRP  25           HE1      TRP  25   1.228   2.253   2.540
  192    HE3  TRP  25           HE3      TRP  25   5.778   3.411   0.017
  193    HZ2  TRP  25           HZ2      TRP  25   1.235   1.458  -0.167
  194    HZ3  TRP  25           HZ3      TRP  25   4.923   2.449  -2.107
  195    HH2  TRP  25           HH2      TRP  25   2.640   1.477  -2.191
  196    H    ASP  26           H        ASP  26   7.737   3.527   5.763
  197    HA   ASP  26           HA       ASP  26   9.298   5.777   4.808
  198   1HB   ASP  26          1HB       ASP  26  10.113   5.891   7.174
  199   2HB   ASP  26          2HB       ASP  26   8.382   5.970   7.002
  200    H    SER  27           H        SER  27  11.249   4.021   6.948
  201    HA   SER  27           HA       SER  27  12.514   2.509   4.814
  202   1HB   SER  27          1HB       SER  27  13.508   4.939   4.702
  203   2HB   SER  27          2HB       SER  27  14.157   4.665   6.293
  204    HG   SER  27           HG       SER  27  14.846   3.182   3.967
  205    H    GLN  28           H        GLN  28  12.744   0.706   5.534
  206    HA   GLN  28           HA       GLN  28  13.699   0.227   8.282
  207   1HB   GLN  28          1HB       GLN  28  11.765  -1.349   8.660
  208   2HB   GLN  28          2HB       GLN  28  11.381   0.335   8.594
  209   1HG   GLN  28          1HG       GLN  28  10.445  -1.797   6.646
  210   2HG   GLN  28          2HG       GLN  28   9.597  -0.620   7.565
  211   1HE2  GLN  28          1HE2      GLN  28  10.480   0.353   3.831
  212   2HE2  GLN  28          2HE2      GLN  28  10.851  -1.218   4.408
  213    H    SER  29           H        SER  29  12.341  -1.758   5.712
  214    HA   SER  29           HA       SER  29  14.682  -2.945   4.786
  215   1HB   SER  29          1HB       SER  29  12.997  -4.953   6.390
  216   2HB   SER  29          2HB       SER  29  14.670  -5.116   5.929
  217    HG   SER  29           HG       SER  29  14.956  -3.311   7.553
  218    HA   PRO  30           HA       PRO  30  14.467  -5.694   3.935
  219   1HB   PRO  30          1HB       PRO  30  13.988  -5.958   0.993
  220   2HB   PRO  30          2HB       PRO  30  14.252  -7.215   2.190
  221   1HG   PRO  30          1HG       PRO  30  11.766  -6.753   1.178
  222   2HG   PRO  30          2HG       PRO  30  11.956  -7.119   2.889
  223   1HD   PRO  30          1HD       PRO  30  11.618  -4.380   1.629
  224   2HD   PRO  30          2HD       PRO  30  10.799  -5.046   3.055
  225    H    HIS  31           H        HIS  31  13.812  -2.874   1.944
  226    HA   HIS  31           HA       HIS  31  16.496  -2.007   2.130
  227   1HB   HIS  31          1HB       HIS  31  15.849  -3.637  -0.220
  228   2HB   HIS  31          2HB       HIS  31  15.989  -2.001  -0.801
  229    HD1  HIS  31           HD1      HIS  31  17.983  -4.183   1.616
  230    HD2  HIS  31           HD2      HIS  31  18.524  -1.367  -1.451
  231    HE1  HIS  31           HE1      HIS  31  20.503  -3.928   1.251
  232    H    ALA  32           H        ALA  32  16.727   0.077   0.851
  233    HA   ALA  32           HA       ALA  32  14.425   1.711   1.504
  234   1HB   ALA  32          1HB       ALA  32  16.767   2.536   1.857
  235   2HB   ALA  32          2HB       ALA  32  17.072   2.456   0.123
  236   3HB   ALA  32          3HB       ALA  32  15.902   3.607   0.759
  237    H    HIS  33           H        HIS  33  12.958   0.725   0.192
  238    HA   HIS  33           HA       HIS  33  12.989   0.771  -2.688
  239   1HB   HIS  33          1HB       HIS  33  10.456   0.279  -2.366
  240   2HB   HIS  33          2HB       HIS  33  11.507  -0.774  -1.438
  241    HD1  HIS  33           HD1      HIS  33   9.690   2.562  -0.777
  242    HD2  HIS  33           HD2      HIS  33  11.088  -0.891   1.183
  243    HE1  HIS  33           HE1      HIS  33   9.040   2.770   1.642
  244    H    GLY  34           H        GLY  34  11.128   1.888  -3.869
  245   1HA   GLY  34          1HA       GLY  34  11.514   4.765  -3.582
  246   2HA   GLY  34          2HA       GLY  34  10.542   3.926  -4.813
  247    H    TYR  36           H        TYR  36   9.409   6.074  -4.007
  248    HA   TYR  36           HA       TYR  36   7.559   7.029  -3.174
  249   1HB   TYR  36          1HB       TYR  36   6.510   4.301  -2.292
  250   2HB   TYR  36          2HB       TYR  36   5.577   5.719  -2.701
  251    HD1  TYR  36           HD1      TYR  36   5.834   6.599  -5.212
  252    HD2  TYR  36           HD2      TYR  36   6.885   2.707  -3.856
  253    HE1  TYR  36           HE1      TYR  36   5.716   5.752  -7.521
  254    HE2  TYR  36           HE2      TYR  36   6.775   1.842  -6.103
  255    HH   TYR  36           HH       TYR  36   6.682   2.487  -8.401
  256    H    ILE  37           H        ILE  37   9.269   7.722  -1.727
  257    HA   ILE  37           HA       ILE  37   9.101   6.705   1.040
  258    HB   ILE  37           HB       ILE  37  11.045   8.547  -0.391
  259   1HG1  ILE  37          1HG1      ILE  37  11.483   5.755   0.765
  260   2HG1  ILE  37          2HG1      ILE  37  11.096   6.028  -0.902
  261   1HG2  ILE  37          1HG2      ILE  37  11.140   7.618   2.522
  262   2HG2  ILE  37          2HG2      ILE  37  12.445   8.466   1.700
  263   3HG2  ILE  37          3HG2      ILE  37  10.921   9.275   1.969
  264   1HD1  ILE  37          1HD1      ILE  37  13.172   7.355  -1.237
  265   2HD1  ILE  37          2HD1      ILE  37  13.625   7.075   0.453
  266   3HD1  ILE  37          3HD1      ILE  37  13.501   5.729  -0.665
  267    HA   PRO  38           HA       PRO  38   6.062   9.938   1.735
  268   1HB   PRO  38          1HB       PRO  38   7.079   9.856   4.583
  269   2HB   PRO  38          2HB       PRO  38   5.424   9.745   4.010
  270   1HG   PRO  38          1HG       PRO  38   6.927   7.558   4.848
  271   2HG   PRO  38          2HG       PRO  38   5.644   7.418   3.670
  272   1HD   PRO  38          1HD       PRO  38   8.568   7.255   3.200
  273   2HD   PRO  38          2HD       PRO  38   7.227   6.716   2.164
  274    H    SER  39           H        SER  39   9.393  10.344   2.944
  275    HA   SER  39           HA       SER  39   9.270  12.977   3.703
  276   1HB   SER  39          1HB       SER  39  11.718  11.752   2.357
  277   2HB   SER  39          2HB       SER  39  11.636  12.770   3.805
  278    HG   SER  39           HG       SER  39  11.881  10.541   4.424
  279    H    LYS  40           H        LYS  40   8.946  11.759   0.529
  280    HA   LYS  40           HA       LYS  40   9.880  14.302  -0.729
  281   1HB   LYS  40          1HB       LYS  40   9.195  11.534  -1.877
  282   2HB   LYS  40          2HB       LYS  40   9.732  12.888  -2.834
  283   1HG   LYS  40          1HG       LYS  40  11.893  12.940  -1.615
  284   2HG   LYS  40          2HG       LYS  40  11.379  11.584  -0.611
  285   1HD   LYS  40          1HD       LYS  40  11.239  10.110  -2.586
  286   2HD   LYS  40          2HD       LYS  40  11.580  11.446  -3.652
  287   1HE   LYS  40          1HE       LYS  40  13.615  10.096  -3.342
  288   2HE   LYS  40          2HE       LYS  40  13.859  11.709  -2.696
  289   1HZ   LYS  40          1HZ       LYS  40  13.197   9.308  -1.108
  290   2HZ   LYS  40          2HZ       LYS  40  14.723  10.031  -1.258
  291   3HZ   LYS  40          3HZ       LYS  40  13.458  10.870  -0.504
  292    H    PHE  41           H        PHE  41   7.091  13.175   0.618
  293    HA   PHE  41           HA       PHE  41   5.425  14.361  -1.554
  294   1HB   PHE  41          1HB       PHE  41   4.769  12.027   0.279
  295   2HB   PHE  41          2HB       PHE  41   3.657  12.779  -0.839
  296    HD1  PHE  41           HD1      PHE  41   4.109  12.728  -3.306
  297    HD2  PHE  41           HD2      PHE  41   6.502  10.534  -0.539
  298    HE1  PHE  41           HE1      PHE  41   4.901  11.283  -5.133
  299    HE2  PHE  41           HE2      PHE  41   7.310   9.118  -2.348
  300    HZ   PHE  41           HZ       PHE  41   6.519   9.478  -4.673
  301    HA   PRO  42           HA       PRO  42   3.934  16.815   2.011
  302   1HB   PRO  42          1HB       PRO  42   2.922  18.906   0.507
  303   2HB   PRO  42          2HB       PRO  42   4.610  18.789   0.973
  304   1HG   PRO  42          1HG       PRO  42   3.395  18.024  -1.680
  305   2HG   PRO  42          2HG       PRO  42   4.867  18.948  -1.401
  306   1HD   PRO  42          1HD       PRO  42   4.861  16.251  -1.984
  307   2HD   PRO  42          2HD       PRO  42   6.117  16.956  -0.958
  308    H    ASN  43           H        ASN  43   2.745  15.158  -0.675
  309    HA   ASN  43           HA       ASN  43  -0.080  15.651  -0.275
  310   1HB   ASN  43          1HB       ASN  43   0.981  14.901  -2.482
  311   2HB   ASN  43          2HB       ASN  43   1.395  13.366  -1.749
  312   1HD2  ASN  43          1HD2      ASN  43  -1.566  12.456  -3.510
  313   2HD2  ASN  43          2HD2      ASN  43   0.138  12.648  -3.711
  314    H    LYS  44           H        LYS  44  -1.524  13.794   0.414
  315    HA   LYS  44           HA       LYS  44  -0.331  12.496   2.806
  316   1HB   LYS  44          1HB       LYS  44  -2.582  12.160   3.574
  317   2HB   LYS  44          2HB       LYS  44  -2.435  13.820   3.104
  318   1HG   LYS  44          1HG       LYS  44  -3.639  11.774   1.165
  319   2HG   LYS  44          2HG       LYS  44  -4.566  12.393   2.490
  320   1HD   LYS  44          1HD       LYS  44  -4.457  14.669   1.658
  321   2HD   LYS  44          2HD       LYS  44  -3.284  14.251   0.447
  322   1HE   LYS  44          1HE       LYS  44  -5.508  14.412  -0.603
  323   2HE   LYS  44          2HE       LYS  44  -4.897  12.772  -0.721
  324   1HZ   LYS  44          1HZ       LYS  44  -6.256  12.185   1.191
  325   2HZ   LYS  44          2HZ       LYS  44  -6.902  13.750   1.218
  326   3HZ   LYS  44          3HZ       LYS  44  -7.172  12.717  -0.094
  327    H    ASN  45           H        ASN  45   0.501  11.487   0.304
  328    HA   ASN  45           HA       ASN  45  -1.208   9.227  -0.316
  329   1HB   ASN  45          1HB       ASN  45   0.392   8.527  -1.997
  330   2HB   ASN  45          2HB       ASN  45  -0.085  10.203  -2.202
  331   1HD2  ASN  45          1HD2      ASN  45   3.607   9.910  -2.706
  332   2HD2  ASN  45          2HD2      ASN  45   2.279   9.166  -3.478
  333    H    LEU  46           H        LEU  46   2.309   9.113   0.615
  334    HA   LEU  46           HA       LEU  46   1.774   6.417   1.553
  335   1HB   LEU  46          1HB       LEU  46   4.276   8.109   1.998
  336   2HB   LEU  46          2HB       LEU  46   4.093   6.430   2.409
  337    HG   LEU  46           HG       LEU  46   5.046   6.015   0.456
  338   1HD1  LEU  46          1HD1      LEU  46   2.704   5.203   0.015
  339   2HD1  LEU  46          2HD1      LEU  46   2.391   6.691  -0.876
  340   3HD1  LEU  46          3HD1      LEU  46   3.627   5.568  -1.424
  341   1HD2  LEU  46          1HD2      LEU  46   4.189   8.728  -0.574
  342   2HD2  LEU  46          2HD2      LEU  46   5.772   8.244   0.017
  343   3HD2  LEU  46          3HD2      LEU  46   5.159   7.578  -1.487
  344    H    LYS  47           H        LYS  47   2.218   5.587   3.617
  345    HA   LYS  47           HA       LYS  47   1.516   7.377   5.807
  346   1HB   LYS  47          1HB       LYS  47  -0.400   6.061   4.300
  347   2HB   LYS  47          2HB       LYS  47  -0.246   4.868   5.470
  348   1HG   LYS  47          1HG       LYS  47  -1.297   6.288   7.102
  349   2HG   LYS  47          2HG       LYS  47  -0.527   7.727   6.502
  350   1HD   LYS  47          1HD       LYS  47  -2.701   6.300   4.942
  351   2HD   LYS  47          2HD       LYS  47  -3.053   7.580   6.080
  352   1HE   LYS  47          1HE       LYS  47  -1.772   9.222   4.773
  353   2HE   LYS  47          2HE       LYS  47  -1.140   7.994   3.708
  354   1HZ   LYS  47          1HZ       LYS  47  -3.991   8.774   3.873
  355   2HZ   LYS  47          2HZ       LYS  47  -2.851   9.199   2.687
  356   3HZ   LYS  47          3HZ       LYS  47  -3.355   7.599   2.876
  357    H    LYS  48           H        LYS  48   0.762   4.769   7.285
  358    HA   LYS  48           HA       LYS  48   3.452   4.091   8.140
  359   1HB   LYS  48          1HB       LYS  48   0.821   2.641   8.827
  360   2HB   LYS  48          2HB       LYS  48   2.348   2.410   9.629
  361   1HG   LYS  48          1HG       LYS  48   0.741   5.015   9.581
  362   2HG   LYS  48          2HG       LYS  48   0.816   3.879  10.896
  363   1HD   LYS  48          1HD       LYS  48   3.302   4.267  11.076
  364   2HD   LYS  48          2HD       LYS  48   3.178   5.491   9.832
  365   1HE   LYS  48          1HE       LYS  48   1.597   6.810  11.271
  366   2HE   LYS  48          2HE       LYS  48   1.729   5.590  12.530
  367   1HZ   LYS  48          1HZ       LYS  48   3.949   7.227  11.477
  368   2HZ   LYS  48          2HZ       LYS  48   3.141   7.447  12.951
  369   3HZ   LYS  48          3HZ       LYS  48   4.072   6.055  12.692
  370    H    ASN  49           H        ASN  49   1.302   1.329   7.517
  371    HA   ASN  49           HA       ASN  49   2.934   0.629   5.118
  372   1HB   ASN  49          1HB       ASN  49   2.788  -1.734   5.800
  373   2HB   ASN  49          2HB       ASN  49   3.548  -0.815   7.092
  374   1HD2  ASN  49          1HD2      ASN  49   0.937  -3.289   8.317
  375   2HD2  ASN  49          2HD2      ASN  49   2.314  -3.381   7.333
  376    H    TYR  50           H        TYR  50   0.040   1.494   6.268
  377    HA   TYR  50           HA       TYR  50  -1.901  -0.002   5.063
  378   1HB   TYR  50          1HB       TYR  50  -1.926   3.055   5.049
  379   2HB   TYR  50          2HB       TYR  50  -3.324   2.016   5.122
  380    HD1  TYR  50           HD1      TYR  50  -2.104   0.031   7.273
  381    HD2  TYR  50           HD2      TYR  50  -2.384   4.292   7.021
  382    HE1  TYR  50           HE1      TYR  50  -1.956   0.158   9.673
  383    HE2  TYR  50           HE2      TYR  50  -2.243   4.427   9.478
  384    HH   TYR  50           HH       TYR  50  -1.155   2.129  11.390
  385    H    CYS  51           H        CYS  51  -2.709  -0.383   3.076
  386    HA   CYS  51           HA       CYS  51  -0.980  -0.012   0.919
  387   1HB   CYS  51          1HB       CYS  51  -3.983  -0.594   0.746
  388   2HB   CYS  51          2HB       CYS  51  -2.750  -1.088  -0.393
  389    H    ARG  52           H        ARG  52  -1.084   1.210  -1.005
  390    HA   ARG  52           HA       ARG  52  -2.874   3.530  -1.073
  391   1HB   ARG  52          1HB       ARG  52   0.202   3.681  -1.008
  392   2HB   ARG  52          2HB       ARG  52  -0.791   5.039  -1.444
  393   1HG   ARG  52          1HG       ARG  52  -0.840   3.715   1.283
  394   2HG   ARG  52          2HG       ARG  52  -0.059   5.196   0.862
  395   1HD   ARG  52          1HD       ARG  52  -3.089   4.706   0.892
  396   2HD   ARG  52          2HD       ARG  52  -2.147   5.816   1.872
  397    HE   ARG  52           HE       ARG  52  -1.573   7.062  -0.021
  398   1HH1  ARG  52          1HH1      ARG  52  -4.606   5.290  -0.066
  399   2HH1  ARG  52          2HH1      ARG  52  -5.030   5.650  -1.701
  400   1HH2  ARG  52          1HH2      ARG  52  -2.297   7.877  -2.178
  401   2HH2  ARG  52          2HH2      ARG  52  -3.894   7.541  -2.687
  402    H    ASN  53           H        ASN  53  -1.837   4.911  -3.076
  403    HA   ASN  53           HA       ASN  53  -1.719   3.051  -5.382
  404   1HB   ASN  53          1HB       ASN  53  -3.726   5.251  -4.664
  405   2HB   ASN  53          2HB       ASN  53  -3.612   4.814  -6.325
  406   1HD2  ASN  53          1HD2      ASN  53  -5.523   1.913  -6.013
  407   2HD2  ASN  53          2HD2      ASN  53  -4.691   2.891  -7.110
  408    HA   PRO  54           HA       PRO  54   1.044   6.989  -5.425
  409   1HB   PRO  54          1HB       PRO  54   3.166   4.973  -6.148
  410   2HB   PRO  54          2HB       PRO  54   3.290   6.382  -5.117
  411   1HG   PRO  54          1HG       PRO  54   3.149   3.861  -4.054
  412   2HG   PRO  54          2HG       PRO  54   2.439   5.258  -3.263
  413   1HD   PRO  54          1HD       PRO  54   0.980   3.098  -4.738
  414   2HD   PRO  54          2HD       PRO  54   0.510   4.095  -3.358
  415    H    ASP  55           H        ASP  55   1.283   4.097  -7.510
  416    HA   ASP  55           HA       ASP  55   1.508   5.741  -9.940
  417   1HB   ASP  55          1HB       ASP  55   1.952   3.508 -10.995
  418   2HB   ASP  55          2HB       ASP  55   2.992   3.726  -9.604
  419    H    ARG  56           H        ARG  56  -0.805   4.675  -7.955
  420    HA   ARG  56           HA       ARG  56  -2.793   3.974  -7.907
  421   1HB   ARG  56          1HB       ARG  56  -4.487   5.341  -9.086
  422   2HB   ARG  56          2HB       ARG  56  -3.366   6.190  -8.122
  423   1HG   ARG  56          1HG       ARG  56  -2.780   5.900 -11.076
  424   2HG   ARG  56          2HG       ARG  56  -3.904   7.106 -10.540
  425   1HD   ARG  56          1HD       ARG  56  -1.151   7.104  -9.189
  426   2HD   ARG  56          2HD       ARG  56  -1.331   7.730 -10.814
  427    HE   ARG  56           HE       ARG  56  -2.589   9.443 -10.124
  428   1HH1  ARG  56          1HH1      ARG  56  -1.842   7.346  -7.272
  429   2HH1  ARG  56          2HH1      ARG  56  -2.591   8.436  -6.178
  430   1HH2  ARG  56          1HH2      ARG  56  -3.351  10.938  -8.487
  431   2HH2  ARG  56          2HH2      ARG  56  -3.333  10.439  -6.827
  432    H    GLU  57           H        GLU  57  -2.029   2.134  -8.338
  433    HA   GLU  57           HA       GLU  57  -2.663   0.535 -10.601
  434   1HB   GLU  57          1HB       GLU  57  -0.997   0.022  -8.760
  435   2HB   GLU  57          2HB       GLU  57  -2.292   0.076  -7.598
  436   1HG   GLU  57          1HG       GLU  57  -1.579  -2.205  -7.961
  437   2HG   GLU  57          2HG       GLU  57  -3.242  -2.041  -8.442
  438    H    LEU  58           H        LEU  58  -4.323  -1.229 -10.377
  439    HA   LEU  58           HA       LEU  58  -6.913  -0.075 -10.069
  440   1HB   LEU  58          1HB       LEU  58  -6.396  -1.965 -11.617
  441   2HB   LEU  58          2HB       LEU  58  -6.017  -3.005 -10.275
  442    HG   LEU  58           HG       LEU  58  -8.372  -2.877  -9.487
  443   1HD1  LEU  58          1HD1      LEU  58  -8.885  -1.299 -12.054
  444   2HD1  LEU  58          2HD1      LEU  58 -10.131  -1.940 -10.986
  445   3HD1  LEU  58          3HD1      LEU  58  -9.053  -0.683 -10.412
  446   1HD2  LEU  58          1HD2      LEU  58  -7.646  -4.742 -10.942
  447   2HD2  LEU  58          2HD2      LEU  58  -9.328  -4.324 -11.250
  448   3HD2  LEU  58          3HD2      LEU  58  -8.073  -3.809 -12.375
  449    H    ARG  59           H        ARG  59  -5.342  -2.669  -8.211
  450    HA   ARG  59           HA       ARG  59  -7.213  -2.205  -5.992
  451   1HB   ARG  59          1HB       ARG  59  -6.729  -4.466  -7.039
  452   2HB   ARG  59          2HB       ARG  59  -5.120  -4.426  -6.397
  453   1HG   ARG  59          1HG       ARG  59  -5.973  -4.570  -4.105
  454   2HG   ARG  59          2HG       ARG  59  -7.625  -4.373  -4.666
  455   1HD   ARG  59          1HD       ARG  59  -7.426  -6.477  -6.028
  456   2HD   ARG  59          2HD       ARG  59  -5.824  -6.773  -5.332
  457    HE   ARG  59           HE       ARG  59  -7.226  -6.439  -3.148
  458   1HH1  ARG  59          1HH1      ARG  59  -7.579  -8.415  -6.017
  459   2HH1  ARG  59          2HH1      ARG  59  -8.517  -9.681  -5.320
  460   1HH2  ARG  59          1HH2      ARG  59  -8.662  -8.223  -2.104
  461   2HH2  ARG  59          2HH2      ARG  59  -9.031  -9.581  -3.032
  462    HA   PRO  61           HA       PRO  61  -4.008   0.274  -4.016
  463   1HB   PRO  61          1HB       PRO  61  -4.723   0.025  -1.322
  464   2HB   PRO  61          2HB       PRO  61  -5.611   0.996  -2.479
  465   1HG   PRO  61          1HG       PRO  61  -6.229  -1.819  -1.592
  466   2HG   PRO  61          2HG       PRO  61  -7.350  -0.462  -1.704
  467   1HD   PRO  61          1HD       PRO  61  -7.135  -2.394  -3.646
  468   2HD   PRO  61          2HD       PRO  61  -7.473  -0.717  -4.121
  469    H    TRP  62           H        TRP  62  -1.904  -0.184  -3.375
  470    HA   TRP  62           HA       TRP  62  -1.396  -2.960  -2.371
  471   1HB   TRP  62          1HB       TRP  62   0.472  -3.151  -4.012
  472   2HB   TRP  62          2HB       TRP  62  -1.000  -2.760  -4.866
  473    HD1  TRP  62           HD1      TRP  62  -1.211  -0.278  -5.901
  474    HE1  TRP  62           HE1      TRP  62   0.595   1.473  -6.513
  475    HE3  TRP  62           HE3      TRP  62   2.665  -2.174  -3.264
  476    HZ2  TRP  62           HZ2      TRP  62   3.266   2.025  -5.769
  477    HZ3  TRP  62           HZ3      TRP  62   4.837  -1.007  -3.178
  478    HH2  TRP  62           HH2      TRP  62   5.140   1.094  -4.426
  479    H    CYS  63           H        CYS  63   0.906  -3.242  -1.663
  480    HA   CYS  63           HA       CYS  63   2.412  -0.910  -0.932
  481   1HB   CYS  63          1HB       CYS  63   2.451  -1.614   1.612
  482   2HB   CYS  63          2HB       CYS  63   1.132  -0.648   1.044
  483    H    PHE  64           H        PHE  64   4.420  -1.615   0.277
  484    HA   PHE  64           HA       PHE  64   5.484  -3.835  -1.269
  485   1HB   PHE  64          1HB       PHE  64   6.693  -2.093   0.941
  486   2HB   PHE  64          2HB       PHE  64   7.615  -3.299   0.062
  487    HD1  PHE  64           HD1      PHE  64   7.410  -3.147  -2.586
  488    HD2  PHE  64           HD2      PHE  64   6.824   0.132   0.100
  489    HE1  PHE  64           HE1      PHE  64   7.913  -1.546  -4.411
  490    HE2  PHE  64           HE2      PHE  64   7.372   1.704  -1.720
  491    HZ   PHE  64           HZ       PHE  64   7.957   0.836  -3.966
  492    H    THR  65           H        THR  65   6.355  -5.797  -0.347
  493    HA   THR  65           HA       THR  65   4.651  -6.591   1.958
  494    HB   THR  65           HB       THR  65   4.666  -8.712   1.235
  495    HG1  THR  65           HG1      THR  65   7.169  -8.431  -0.011
  496   1HG2  THR  65          1HG2      THR  65   3.834  -7.289  -0.696
  497   2HG2  THR  65          2HG2      THR  65   5.376  -7.507  -1.485
  498   3HG2  THR  65          3HG2      THR  65   4.369  -8.906  -1.136
  499    H    THR  66           H        THR  66   5.690  -8.304   3.449
  500    HA   THR  66           HA       THR  66   8.144  -7.095   4.520
  501    HB   THR  66           HB       THR  66   7.549  -8.987   6.313
  502    HG1  THR  66           HG1      THR  66   4.978  -8.639   5.269
  503   1HG2  THR  66          1HG2      THR  66   5.886  -6.435   5.982
  504   2HG2  THR  66          2HG2      THR  66   5.963  -7.417   7.447
  505   3HG2  THR  66          3HG2      THR  66   7.402  -6.607   6.843
  506    H    ASP  67           H        ASP  67   7.403  -9.475   2.227
  507    HA   ASP  67           HA       ASP  67   9.396 -11.390   3.073
  508   1HB   ASP  67          1HB       ASP  67   7.379 -12.043   1.750
  509   2HB   ASP  67          2HB       ASP  67   7.889 -11.014   0.434
  510    HA   PRO  68           HA       PRO  68  12.716  -8.942   1.414
  511   1HB   PRO  68          1HB       PRO  68  14.779 -10.793   1.336
  512   2HB   PRO  68          2HB       PRO  68  14.105 -10.142   2.819
  513   1HG   PRO  68          1HG       PRO  68  13.404 -12.772   1.501
  514   2HG   PRO  68          2HG       PRO  68  13.790 -12.495   3.199
  515   1HD   PRO  68          1HD       PRO  68  11.198 -12.667   2.287
  516   2HD   PRO  68          2HD       PRO  68  11.615 -11.566   3.614
  517    H    ASN  69           H        ASN  69  11.186 -11.250  -0.466
  518    HA   ASN  69           HA       ASN  69  12.822 -10.466  -2.857
  519   1HB   ASN  69          1HB       ASN  69  11.382 -13.132  -2.328
  520   2HB   ASN  69          2HB       ASN  69  12.087 -12.676  -3.864
  521   1HD2  ASN  69          1HD2      ASN  69  15.373 -12.685  -1.755
  522   2HD2  ASN  69          2HD2      ASN  69  14.357 -11.301  -1.917
  523    H    LYS  70           H        LYS  70   9.571 -10.983  -1.495
  524    HA   LYS  70           HA       LYS  70   8.436 -10.168  -4.079
  525   1HB   LYS  70          1HB       LYS  70   7.276 -11.836  -2.512
  526   2HB   LYS  70          2HB       LYS  70   6.998 -10.541  -1.412
  527   1HG   LYS  70          1HG       LYS  70   4.990 -10.616  -2.600
  528   2HG   LYS  70          2HG       LYS  70   5.814  -9.277  -3.347
  529   1HD   LYS  70          1HD       LYS  70   6.671 -11.140  -5.079
  530   2HD   LYS  70          2HD       LYS  70   5.404 -12.104  -4.385
  531   1HE   LYS  70          1HE       LYS  70   5.199  -9.662  -6.149
  532   2HE   LYS  70          2HE       LYS  70   4.278 -11.158  -6.200
  533   1HZ   LYS  70          1HZ       LYS  70   3.258 -10.295  -4.035
  534   2HZ   LYS  70          2HZ       LYS  70   3.938  -8.805  -4.499
  535   3HZ   LYS  70          3HZ       LYS  70   2.809  -9.558  -5.490
  536    H    ARG  71           H        ARG  71   9.025  -8.198  -4.509
  537    HA   ARG  71           HA       ARG  71   9.273  -6.026  -2.730
  538   1HB   ARG  71          1HB       ARG  71  10.344  -6.005  -4.884
  539   2HB   ARG  71          2HB       ARG  71   8.856  -6.155  -5.756
  540   1HG   ARG  71          1HG       ARG  71   8.206  -3.840  -5.132
  541   2HG   ARG  71          2HG       ARG  71   9.605  -3.682  -4.104
  542   1HD   ARG  71          1HD       ARG  71  11.112  -3.631  -5.962
  543   2HD   ARG  71          2HD       ARG  71   9.926  -4.341  -7.075
  544    HE   ARG  71           HE       ARG  71   8.610  -2.130  -6.522
  545   1HH1  ARG  71          1HH1      ARG  71  12.025  -2.550  -7.250
  546   2HH1  ARG  71          2HH1      ARG  71  12.182  -1.043  -8.068
  547   1HH2  ARG  71          1HH2      ARG  71   8.760  -0.201  -7.599
  548   2HH2  ARG  71          2HH2      ARG  71  10.250   0.380  -8.222
  549    H    TRP  72           H        TRP  72   6.796  -5.732  -5.286
  550    HA   TRP  72           HA       TRP  72   5.033  -4.519  -3.251
  551   1HB   TRP  72          1HB       TRP  72   3.899  -3.428  -5.063
  552   2HB   TRP  72          2HB       TRP  72   5.587  -3.129  -5.288
  553    HD1  TRP  72           HD1      TRP  72   6.880  -4.706  -7.281
  554    HE1  TRP  72           HE1      TRP  72   5.908  -5.329  -9.550
  555    HE3  TRP  72           HE3      TRP  72   1.953  -4.122  -6.204
  556    HZ2  TRP  72           HZ2      TRP  72   3.315  -5.473 -10.762
  557    HZ3  TRP  72           HZ3      TRP  72   0.248  -4.437  -7.983
  558    HH2  TRP  72           HH2      TRP  72   0.928  -5.040 -10.243
  559    H    GLU  73           H        GLU  73   2.698  -4.896  -3.329
  560    HA   GLU  73           HA       GLU  73   1.719  -7.027  -4.918
  561   1HB   GLU  73          1HB       GLU  73   2.946  -8.256  -2.928
  562   2HB   GLU  73          2HB       GLU  73   1.758  -7.575  -1.901
  563   1HG   GLU  73          1HG       GLU  73  -0.063  -8.734  -3.096
  564   2HG   GLU  73          2HG       GLU  73   0.996  -9.238  -4.385
  565    H    LEU  74           H        LEU  74  -0.467  -7.139  -4.970
  566    HA   LEU  74           HA       LEU  74  -1.843  -4.749  -4.166
  567   1HB   LEU  74          1HB       LEU  74  -3.111  -7.385  -5.089
  568   2HB   LEU  74          2HB       LEU  74  -3.852  -5.809  -5.112
  569    HG   LEU  74           HG       LEU  74  -1.475  -6.635  -6.827
  570   1HD1  LEU  74          1HD1      LEU  74  -3.563  -7.768  -7.501
  571   2HD1  LEU  74          2HD1      LEU  74  -4.394  -6.220  -7.607
  572   3HD1  LEU  74          3HD1      LEU  74  -3.070  -6.586  -8.707
  573   1HD2  LEU  74          1HD2      LEU  74  -3.025  -3.995  -6.754
  574   2HD2  LEU  74          2HD2      LEU  74  -1.320  -4.238  -6.432
  575   3HD2  LEU  74          3HD2      LEU  74  -1.953  -4.478  -8.053
  576    H    CYS  75           H        CYS  75  -3.269  -4.435  -2.529
  577    HA   CYS  75           HA       CYS  75  -3.217  -6.372  -0.332
  578   1HB   CYS  75          1HB       CYS  75  -4.356  -3.548  -0.537
  579   2HB   CYS  75          2HB       CYS  75  -4.234  -4.499   0.931
  580    H    ASP  76           H        ASP  76  -5.125  -6.905   0.842
  581    HA   ASP  76           HA       ASP  76  -7.501  -7.033  -0.966
  582   1HB   ASP  76          1HB       ASP  76  -6.661  -9.231  -0.016
  583   2HB   ASP  76          2HB       ASP  76  -7.032  -8.656   1.593
  584    H    ILE  77           H        ILE  77  -8.594  -5.275  -0.742
  585    HA   ILE  77           HA       ILE  77  -9.090  -4.122   1.939
  586    HB   ILE  77           HB       ILE  77  -8.408  -2.993  -0.759
  587   1HG1  ILE  77          1HG1      ILE  77  -7.167  -1.321   0.421
  588   2HG1  ILE  77          2HG1      ILE  77  -7.950  -1.631   1.920
  589   1HG2  ILE  77          1HG2      ILE  77 -10.704  -2.010  -0.514
  590   2HG2  ILE  77          2HG2      ILE  77 -10.184  -1.255   0.995
  591   3HG2  ILE  77          3HG2      ILE  77  -9.391  -0.859  -0.515
  592   1HD1  ILE  77          1HD1      ILE  77  -6.236  -3.694   0.520
  593   2HD1  ILE  77          2HD1      ILE  77  -5.605  -2.571   1.744
  594   3HD1  ILE  77          3HD1      ILE  77  -6.811  -3.775   2.181
  595    HA   PRO  78           HA       PRO  78 -13.209  -5.373   1.186
  596   1HB   PRO  78          1HB       PRO  78 -14.629  -3.602   2.829
  597   2HB   PRO  78          2HB       PRO  78 -13.676  -4.957   3.390
  598   1HG   PRO  78          1HG       PRO  78 -12.892  -2.055   3.343
  599   2HG   PRO  78          2HG       PRO  78 -12.513  -3.243   4.594
  600   1HD   PRO  78          1HD       PRO  78 -10.743  -2.452   2.638
  601   2HD   PRO  78          2HD       PRO  78 -10.659  -4.036   3.424
  602    H    ARG  79           H        ARG  79 -14.323  -5.113  -0.592
  603    HA   ARG  79           HA       ARG  79 -14.492  -2.535  -1.933
  604   1HB   ARG  79          1HB       ARG  79 -14.549  -4.501  -3.333
  605   2HB   ARG  79          2HB       ARG  79 -15.834  -5.239  -2.414
  606   1HG   ARG  79          1HG       ARG  79 -17.494  -3.696  -3.263
  607   2HG   ARG  79          2HG       ARG  79 -16.294  -2.651  -3.968
  608   1HD   ARG  79          1HD       ARG  79 -16.531  -5.555  -4.886
  609   2HD   ARG  79          2HD       ARG  79 -17.571  -4.280  -5.562
  610    HE   ARG  79           HE       ARG  79 -15.160  -3.132  -5.784
  611   1HH1  ARG  79          1HH1      ARG  79 -16.337  -6.304  -6.737
  612   2HH1  ARG  79          2HH1      ARG  79 -15.364  -6.411  -8.155
  613   1HH2  ARG  79          1HH2      ARG  79 -13.968  -3.184  -7.590
  614   2HH2  ARG  79          2HH2      ARG  79 -13.878  -4.554  -8.653
  615    H    CYS  80           H        CYS  80 -16.303  -1.159  -2.068
  616    HA   CYS  80           HA       CYS  80 -17.976  -1.147   0.306
  617   1HB   CYS  80          1HB       CYS  80 -18.360   0.442  -2.280
  618   2HB   CYS  80          2HB       CYS  80 -19.169   0.761  -0.769
  619    H    THR  81           H        THR  81 -19.037  -3.147   0.333
  620    HA   THR  81           HA       THR  81 -21.543  -3.198  -1.039
  621    HB   THR  81           HB       THR  81 -20.128  -4.103  -2.859
  622    HG1  THR  81           HG1      THR  81 -21.769  -5.975  -1.589
  623   1HG2  THR  81          1HG2      THR  81 -18.219  -5.033  -1.536
  624   2HG2  THR  81          2HG2      THR  81 -19.247  -6.322  -0.936
  625   3HG2  THR  81          3HG2      THR  81 -18.875  -6.221  -2.653
  626    H1   AMH  84           H1       AMH  84   5.684  -1.562  -9.246
  627   1H2   AMH  84          1H2       AMH  84   5.587   0.806 -10.157
  628   2H2   AMH  84          2H2       AMH  84   4.523   1.224  -8.794
  629   1H3   AMH  84          1H3       AMH  84   3.289   0.688 -10.957
  630   2H3   AMH  84          2H3       AMH  84   3.995  -0.918 -10.862
  631    H4   AMH  84           H4       AMH  84   2.118   0.326  -8.790
  632   1H5   AMH  84          1H5       AMH  84   2.249  -1.824  -7.649
  633   2H5   AMH  84          2H5       AMH  84   3.265  -2.464  -8.935
  634   1H6   AMH  84          1H6       AMH  84   4.668  -1.933  -7.002
  635   2H6   AMH  84          2H6       AMH  84   4.109  -0.296  -6.994
  636   1H7   AMH  84          1H7       AMH  84   0.688  -1.767  -9.501
  637   2H7   AMH  84          2H7       AMH  84   0.690  -0.327 -10.540
  638   1HN   AMH  84          1HN       AMH  84   0.969  -2.546 -11.544
  639   2HN   AMH  84          2HN       AMH  84   2.011  -1.385 -12.054
  640   3HN   AMH  84          3HN       AMH  84   2.520  -2.545 -11.016
  Start of MODEL    8
    1   1H    THR  -4          1H        THR  -4 -10.374   7.614   5.048
    2   2H    THR  -4          2H        THR  -4 -10.139   9.240   5.215
    3   3H    THR  -4          3H        THR  -4  -8.840   8.187   5.357
    4    HA   THR  -4           HA       THR  -4  -9.173   8.420   7.479
    5    HB   THR  -4           HB       THR  -4 -12.066   8.790   7.774
    6    HG1  THR  -4           HG1      THR  -4 -12.246   9.243   5.545
    7   1HG2  THR  -4          1HG2      THR  -4 -10.210  10.031   9.014
    8   2HG2  THR  -4          2HG2      THR  -4  -9.986  11.014   7.571
    9   3HG2  THR  -4          3HG2      THR  -4 -11.522  11.043   8.427
   10    H    SER  -3           H        SER  -3 -10.710   7.105   9.160
   11    HA   SER  -3           HA       SER  -3 -10.679   4.407   8.140
   12   1HB   SER  -3          1HB       SER  -3 -10.386   5.262  10.622
   13   2HB   SER  -3          2HB       SER  -3 -12.129   5.283  10.714
   14    HG   SER  -3           HG       SER  -3 -11.854   2.959   9.954
   15    H    GLU  -2           H        GLU  -2 -12.140   3.703   6.834
   16    HA   GLU  -2           HA       GLU  -2 -14.972   3.945   7.041
   17   1HB   GLU  -2          1HB       GLU  -2 -15.431   5.398   5.036
   18   2HB   GLU  -2          2HB       GLU  -2 -14.653   6.238   6.327
   19   1HG   GLU  -2          1HG       GLU  -2 -12.433   5.452   4.785
   20   2HG   GLU  -2          2HG       GLU  -2 -13.634   5.663   3.558
   21    H    GLU  -1           H        GLU  -1 -12.232   3.675   5.039
   22    HA   GLU  -1           HA       GLU  -1 -11.613   2.287   3.364
   23   1HB   GLU  -1          1HB       GLU  -1 -10.717   0.301   4.589
   24   2HB   GLU  -1          2HB       GLU  -1 -10.438   1.840   5.335
   25   1HG   GLU  -1          1HG       GLU  -1 -12.869   0.872   6.552
   26   2HG   GLU  -1          2HG       GLU  -1 -11.835  -0.511   6.414
   27    H    CYS   1           H        CYS   1 -13.789   2.321   2.214
   28    HA   CYS   1           HA       CYS   1 -14.046  -0.458   1.455
   29   1HB   CYS   1          1HB       CYS   1 -16.335  -0.628   1.342
   30   2HB   CYS   1          2HB       CYS   1 -16.178   0.206   2.839
   31    H    MET   2           H        MET   2 -13.928  -0.585  -0.762
   32    HA   MET   2           HA       MET   2 -13.902   2.039  -2.235
   33   1HB   MET   2          1HB       MET   2 -11.819  -0.199  -2.184
   34   2HB   MET   2          2HB       MET   2 -12.031   0.752  -3.640
   35   1HG   MET   2          1HG       MET   2 -10.205   1.522  -2.121
   36   2HG   MET   2          2HG       MET   2 -11.283   2.752  -2.750
   37   1HE   MET   2          1HE       MET   2 -10.001   0.798   0.253
   38   2HE   MET   2          2HE       MET   2 -11.119   1.172   1.567
   39   3HE   MET   2          3HE       MET   2 -11.647   0.180   0.204
   40    H    HIS   3           H        HIS   3 -14.233   1.979  -4.348
   41    HA   HIS   3           HA       HIS   3 -16.296   0.114  -5.169
   42   1HB   HIS   3          1HB       HIS   3 -14.799   2.320  -6.713
   43   2HB   HIS   3          2HB       HIS   3 -16.192   1.449  -7.322
   44    HD1  HIS   3           HD1      HIS   3 -16.835   1.981  -3.776
   45    HD2  HIS   3           HD2      HIS   3 -17.070   4.289  -7.280
   46    HE1  HIS   3           HE1      HIS   3 -18.353   3.939  -3.282
   47    H    GLY   4           H        GLY   4 -12.861   0.577  -5.773
   48   1HA   GLY   4          1HA       GLY   4 -12.353  -2.099  -6.389
   49   2HA   GLY   4          2HA       GLY   4 -12.704  -1.316  -7.954
   50    H    SER   5           H        SER   5 -11.517   1.317  -7.124
   51    HA   SER   5           HA       SER   5  -8.727   0.577  -7.590
   52   1HB   SER   5          1HB       SER   5  -8.726   3.113  -8.200
   53   2HB   SER   5          2HB       SER   5  -9.661   2.022  -9.229
   54    HG   SER   5           HG       SER   5 -10.972   3.835  -8.568
   55    H    GLY   6           H        GLY   6 -10.207   3.357  -6.095
   56   1HA   GLY   6          1HA       GLY   6  -9.985   4.192  -3.841
   57   2HA   GLY   6          2HA       GLY   6  -9.041   2.755  -3.449
   58    H    GLU   7           H        GLU   7  -8.847   5.848  -5.213
   59    HA   GLU   7           HA       GLU   7  -5.968   5.807  -5.347
   60   1HB   GLU   7          1HB       GLU   7  -7.221   7.446  -6.697
   61   2HB   GLU   7          2HB       GLU   7  -7.790   8.284  -5.284
   62   1HG   GLU   7          1HG       GLU   7  -4.801   7.976  -5.960
   63   2HG   GLU   7          2HG       GLU   7  -5.769   9.316  -6.516
   64    H    ASN   8           H        ASN   8  -8.173   7.608  -3.234
   65    HA   ASN   8           HA       ASN   8  -6.011   7.841  -1.254
   66   1HB   ASN   8          1HB       ASN   8  -7.551   9.777  -2.007
   67   2HB   ASN   8          2HB       ASN   8  -8.790   9.110  -0.987
   68   1HD2  ASN   8          1HD2      ASN   8  -7.021   9.907   2.104
   69   2HD2  ASN   8          2HD2      ASN   8  -8.082   8.773   1.404
   70    H    TYR   9           H        TYR   9  -6.918   5.176  -1.541
   71    HA   TYR   9           HA       TYR   9  -8.721   4.682   0.695
   72   1HB   TYR   9          1HB       TYR   9  -8.617   2.750  -0.703
   73   2HB   TYR   9          2HB       TYR   9  -6.890   2.900  -0.958
   74    HD1  TYR   9           HD1      TYR   9  -9.265   2.522   1.928
   75    HD2  TYR   9           HD2      TYR   9  -5.582   1.332   0.155
   76    HE1  TYR   9           HE1      TYR   9  -8.770   1.171   3.896
   77    HE2  TYR   9           HE2      TYR   9  -5.039   0.021   2.116
   78    HH   TYR   9           HH       TYR   9  -5.694  -0.569   4.307
   79    H    ASP  10           H        ASP  10  -8.246   4.964   2.772
   80    HA   ASP  10           HA       ASP  10  -5.670   4.093   3.742
   81   1HB   ASP  10          1HB       ASP  10  -5.323   5.913   5.283
   82   2HB   ASP  10          2HB       ASP  10  -5.397   6.604   3.680
   83    H    GLY  11           H        GLY  11  -6.001   3.408   6.093
   84   1HA   GLY  11          1HA       GLY  11  -8.661   3.283   7.083
   85   2HA   GLY  11          2HA       GLY  11  -8.397   1.866   6.036
   86    H    LYS  12           H        LYS  12  -6.825   0.463   6.520
   87    HA   LYS  12           HA       LYS  12  -5.194   0.218   8.781
   88   1HB   LYS  12          1HB       LYS  12  -8.062  -0.785   9.151
   89   2HB   LYS  12          2HB       LYS  12  -6.775  -1.708   9.876
   90   1HG   LYS  12          1HG       LYS  12  -6.159  -0.211  11.405
   91   2HG   LYS  12          2HG       LYS  12  -6.723   1.178  10.642
   92   1HD   LYS  12          1HD       LYS  12  -8.401  -0.896  12.095
   93   2HD   LYS  12          2HD       LYS  12  -8.108   0.754  12.561
   94   1HE   LYS  12          1HE       LYS  12  -9.892  -0.250  10.306
   95   2HE   LYS  12          2HE       LYS  12 -10.369   0.700  11.685
   96   1HZ   LYS  12          1HZ       LYS  12  -8.439   1.955   9.901
   97   2HZ   LYS  12          2HZ       LYS  12  -9.960   1.600   9.281
   98   3HZ   LYS  12          3HZ       LYS  12  -9.867   2.583  10.624
   99    H    ILE  13           H        ILE  13  -6.988  -1.258   6.076
  100    HA   ILE  13           HA       ILE  13  -5.732  -3.789   6.515
  101    HB   ILE  13           HB       ILE  13  -6.783  -2.883   3.817
  102   1HG1  ILE  13          1HG1      ILE  13  -8.913  -4.263   4.920
  103   2HG1  ILE  13          2HG1      ILE  13  -8.406  -3.330   6.290
  104   1HG2  ILE  13          1HG2      ILE  13  -6.562  -5.604   5.167
  105   2HG2  ILE  13          2HG2      ILE  13  -7.331  -5.306   3.620
  106   3HG2  ILE  13          3HG2      ILE  13  -5.612  -5.016   3.799
  107   1HD1  ILE  13          1HD1      ILE  13  -8.960  -2.201   3.488
  108   2HD1  ILE  13          2HD1      ILE  13 -10.131  -2.198   4.804
  109   3HD1  ILE  13          3HD1      ILE  13  -8.662  -1.231   4.922
  110    H    SER  14           H        SER  14  -3.870  -4.422   5.981
  111    HA   SER  14           HA       SER  14  -2.229  -3.096   3.930
  112   1HB   SER  14          1HB       SER  14  -1.858  -2.088   6.350
  113   2HB   SER  14          2HB       SER  14  -1.215  -3.640   6.793
  114    HG   SER  14           HG       SER  14  -0.152  -2.029   4.718
  115    H    LYS  15           H        LYS  15  -3.542  -5.564   3.721
  116    HA   LYS  15           HA       LYS  15  -1.297  -7.515   4.041
  117   1HB   LYS  15          1HB       LYS  15  -4.297  -7.804   4.488
  118   2HB   LYS  15          2HB       LYS  15  -3.387  -9.168   3.925
  119   1HG   LYS  15          1HG       LYS  15  -3.444  -9.403   6.279
  120   2HG   LYS  15          2HG       LYS  15  -1.810  -8.980   5.856
  121   1HD   LYS  15          1HD       LYS  15  -2.238  -6.625   6.540
  122   2HD   LYS  15          2HD       LYS  15  -3.894  -7.015   6.948
  123   1HE   LYS  15          1HE       LYS  15  -3.088  -8.482   8.798
  124   2HE   LYS  15          2HE       LYS  15  -1.440  -8.357   8.192
  125   1HZ   LYS  15          1HZ       LYS  15  -1.523  -5.991   8.592
  126   2HZ   LYS  15          2HZ       LYS  15  -2.967  -6.183   9.497
  127   3HZ   LYS  15          3HZ       LYS  15  -1.466  -6.939   9.892
  128    H    THR  16           H        THR  16  -0.518  -8.381   2.301
  129    HA   THR  16           HA       THR  16  -1.589  -7.577  -0.213
  130    HB   THR  16           HB       THR  16   0.312  -8.315  -1.222
  131    HG1  THR  16           HG1      THR  16   0.915 -10.304  -0.473
  132   1HG2  THR  16          1HG2      THR  16   0.655  -6.338   0.138
  133   2HG2  THR  16          2HG2      THR  16   1.155  -7.308   1.529
  134   3HG2  THR  16          3HG2      THR  16   2.130  -7.287   0.082
  135    H    MET  17           H        MET  17  -2.666  -8.656  -1.634
  136    HA   MET  17           HA       MET  17  -4.551 -10.402  -0.817
  137   1HB   MET  17          1HB       MET  17  -5.317 -10.422  -3.091
  138   2HB   MET  17          2HB       MET  17  -4.522  -8.906  -2.883
  139   1HG   MET  17          1HG       MET  17  -2.481  -9.888  -4.079
  140   2HG   MET  17          2HG       MET  17  -3.359 -11.370  -4.289
  141   1HE   MET  17          1HE       MET  17  -5.092 -11.897  -5.832
  142   2HE   MET  17          2HE       MET  17  -6.291 -10.801  -5.148
  143   3HE   MET  17          3HE       MET  17  -5.969 -10.798  -6.900
  144    H    SER  18           H        SER  18  -1.417 -11.242  -2.156
  145    HA   SER  18           HA       SER  18  -2.079 -14.137  -1.873
  146   1HB   SER  18          1HB       SER  18  -0.355 -14.242  -3.914
  147   2HB   SER  18          2HB       SER  18  -1.995 -13.727  -4.216
  148    HG   SER  18           HG       SER  18   0.038 -11.846  -3.673
  149    H    GLY  19           H        GLY  19  -0.833 -12.308   0.189
  150   1HA   GLY  19          1HA       GLY  19   1.487 -14.076   0.499
  151   2HA   GLY  19          2HA       GLY  19   1.970 -12.465   0.013
  152    H    LEU  20           H        LEU  20   1.685 -10.708   1.613
  153    HA   LEU  20           HA       LEU  20   1.606 -11.838   4.379
  154   1HB   LEU  20          1HB       LEU  20   3.875 -10.039   3.345
  155   2HB   LEU  20          2HB       LEU  20   3.846 -10.972   4.797
  156    HG   LEU  20           HG       LEU  20   3.705 -13.010   2.989
  157   1HD1  LEU  20          1HD1      LEU  20   3.786 -11.420   0.983
  158   2HD1  LEU  20          2HD1      LEU  20   5.352 -10.866   1.543
  159   3HD1  LEU  20          3HD1      LEU  20   5.142 -12.532   1.037
  160   1HD2  LEU  20          1HD2      LEU  20   5.404 -12.795   4.771
  161   2HD2  LEU  20          2HD2      LEU  20   6.164 -13.236   3.247
  162   3HD2  LEU  20          3HD2      LEU  20   6.264 -11.578   3.832
  163    H    GLU  21           H        GLU  21   2.390 -10.060   5.907
  164    HA   GLU  21           HA       GLU  21   0.621  -7.767   5.827
  165   1HB   GLU  21          1HB       GLU  21   1.387  -8.833   7.971
  166   2HB   GLU  21          2HB       GLU  21   3.050  -8.573   7.529
  167   1HG   GLU  21          1HG       GLU  21   2.755  -6.883   9.081
  168   2HG   GLU  21          2HG       GLU  21   2.497  -5.982   7.618
  169    H    CYS  22           H        CYS  22   1.177  -5.699   5.144
  170    HA   CYS  22           HA       CYS  22   3.539  -5.542   3.426
  171   1HB   CYS  22          1HB       CYS  22   1.220  -3.754   3.999
  172   2HB   CYS  22          2HB       CYS  22   2.652  -3.042   3.253
  173    H    GLN  23           H        GLN  23   4.981  -4.058   3.444
  174    HA   GLN  23           HA       GLN  23   6.290  -3.460   6.005
  175   1HB   GLN  23          1HB       GLN  23   7.516  -4.735   4.334
  176   2HB   GLN  23          2HB       GLN  23   6.994  -3.707   3.040
  177   1HG   GLN  23          1HG       GLN  23   8.593  -2.142   4.976
  178   2HG   GLN  23          2HG       GLN  23   9.449  -3.578   4.444
  179   1HE2  GLN  23          1HE2      GLN  23   8.510  -0.588   1.818
  180   2HE2  GLN  23          2HE2      GLN  23   7.710  -0.663   3.324
  181    H    ALA  24           H        ALA  24   6.595  -1.425   6.686
  182    HA   ALA  24           HA       ALA  24   4.774   0.528   5.845
  183   1HB   ALA  24          1HB       ALA  24   5.731   0.420   8.139
  184   2HB   ALA  24          2HB       ALA  24   7.313   0.911   7.522
  185   3HB   ALA  24          3HB       ALA  24   5.948   2.030   7.468
  186    H    TRP  25           H        TRP  25   5.021   2.594   4.979
  187    HA   TRP  25           HA       TRP  25   6.552   2.579   2.553
  188   1HB   TRP  25          1HB       TRP  25   4.879   4.801   3.870
  189   2HB   TRP  25          2HB       TRP  25   5.551   4.891   2.249
  190    HD1  TRP  25           HD1      TRP  25   2.635   3.310   4.161
  191    HE1  TRP  25           HE1      TRP  25   1.092   2.135   2.506
  192    HE3  TRP  25           HE3      TRP  25   5.566   3.587   0.010
  193    HZ2  TRP  25           HZ2      TRP  25   1.121   1.428  -0.221
  194    HZ3  TRP  25           HZ3      TRP  25   4.747   2.668  -2.143
  195    HH2  TRP  25           HH2      TRP  25   2.502   1.594  -2.252
  196    H    ASP  26           H        ASP  26   7.574   3.406   5.696
  197    HA   ASP  26           HA       ASP  26   9.105   5.714   4.997
  198   1HB   ASP  26          1HB       ASP  26   9.390   3.786   7.378
  199   2HB   ASP  26          2HB       ASP  26  10.063   5.410   7.294
  200    H    SER  27           H        SER  27  11.361   4.037   6.639
  201    HA   SER  27           HA       SER  27  12.387   2.443   4.445
  202   1HB   SER  27          1HB       SER  27  13.312   4.777   4.009
  203   2HB   SER  27          2HB       SER  27  14.069   4.751   5.613
  204    HG   SER  27           HG       SER  27  15.557   4.033   3.957
  205    H    GLN  28           H        GLN  28  13.008   0.688   5.183
  206    HA   GLN  28           HA       GLN  28  14.131   0.441   7.877
  207   1HB   GLN  28          1HB       GLN  28  12.306  -1.186   8.553
  208   2HB   GLN  28          2HB       GLN  28  11.853   0.480   8.466
  209   1HG   GLN  28          1HG       GLN  28  10.840  -1.743   6.632
  210   2HG   GLN  28          2HG       GLN  28  10.016  -0.681   7.696
  211   1HE2  GLN  28          1HE2      GLN  28  10.409   0.502   3.915
  212   2HE2  GLN  28          2HE2      GLN  28  10.936  -1.049   4.398
  213    H    SER  29           H        SER  29  12.593  -1.574   5.454
  214    HA   SER  29           HA       SER  29  14.846  -2.891   4.491
  215   1HB   SER  29          1HB       SER  29  13.066  -4.733   6.207
  216   2HB   SER  29          2HB       SER  29  14.671  -5.086   5.626
  217    HG   SER  29           HG       SER  29  15.231  -3.250   7.191
  218    HA   PRO  30           HA       PRO  30  14.530  -5.573   3.596
  219   1HB   PRO  30          1HB       PRO  30  13.977  -5.722   0.656
  220   2HB   PRO  30          2HB       PRO  30  14.265  -7.025   1.796
  221   1HG   PRO  30          1HG       PRO  30  11.752  -6.517   0.888
  222   2HG   PRO  30          2HG       PRO  30  11.992  -6.922   2.582
  223   1HD   PRO  30          1HD       PRO  30  11.635  -4.146   1.410
  224   2HD   PRO  30          2HD       PRO  30  10.863  -4.850   2.844
  225    H    HIS  31           H        HIS  31  13.900  -2.664   1.764
  226    HA   HIS  31           HA       HIS  31  16.588  -1.838   1.963
  227   1HB   HIS  31          1HB       HIS  31  15.888  -3.296  -0.491
  228   2HB   HIS  31          2HB       HIS  31  16.049  -1.622  -0.950
  229    HD1  HIS  31           HD1      HIS  31  18.033  -4.007   1.277
  230    HD2  HIS  31           HD2      HIS  31  18.585  -0.975  -1.576
  231    HE1  HIS  31           HE1      HIS  31  20.553  -3.755   0.908
  232    H    ALA  32           H        ALA  32  16.791   0.343   0.862
  233    HA   ALA  32           HA       ALA  32  14.476   1.904   1.642
  234   1HB   ALA  32          1HB       ALA  32  16.838   2.696   2.023
  235   2HB   ALA  32          2HB       ALA  32  17.104   2.772   0.285
  236   3HB   ALA  32          3HB       ALA  32  15.941   3.855   1.043
  237    H    HIS  33           H        HIS  33  13.045   0.936   0.229
  238    HA   HIS  33           HA       HIS  33  13.094   1.179  -2.634
  239   1HB   HIS  33          1HB       HIS  33  10.567   0.611  -2.366
  240   2HB   HIS  33          2HB       HIS  33  11.634  -0.470  -1.490
  241    HD1  HIS  33           HD1      HIS  33   9.761   2.786  -0.653
  242    HD2  HIS  33           HD2      HIS  33  11.160  -0.759   1.123
  243    HE1  HIS  33           HE1      HIS  33   9.040   2.843   1.739
  244    H    GLY  34           H        GLY  34  11.292   2.392  -3.813
  245   1HA   GLY  34          1HA       GLY  34  11.598   5.238  -3.209
  246   2HA   GLY  34          2HA       GLY  34  10.688   4.517  -4.559
  247    H    TYR  36           H        TYR  36   9.337   6.479  -3.652
  248    HA   TYR  36           HA       TYR  36   7.365   7.159  -2.790
  249   1HB   TYR  36          1HB       TYR  36   6.637   4.280  -2.085
  250   2HB   TYR  36          2HB       TYR  36   5.552   5.601  -2.388
  251    HD1  TYR  36           HD1      TYR  36   5.164   6.378  -4.771
  252    HD2  TYR  36           HD2      TYR  36   7.648   3.052  -3.826
  253    HE1  TYR  36           HE1      TYR  36   5.047   5.619  -7.106
  254    HE2  TYR  36           HE2      TYR  36   7.560   2.287  -6.096
  255    HH   TYR  36           HH       TYR  36   6.784   2.733  -8.260
  256    H    ILE  37           H        ILE  37   9.304   7.655  -1.157
  257    HA   ILE  37           HA       ILE  37   8.668   6.537   1.514
  258    HB   ILE  37           HB       ILE  37  11.023   8.217   0.610
  259   1HG1  ILE  37          1HG1      ILE  37  10.781   5.265   1.357
  260   2HG1  ILE  37          2HG1      ILE  37  11.051   5.882  -0.246
  261   1HG2  ILE  37          1HG2      ILE  37  10.449   8.667   3.021
  262   2HG2  ILE  37          2HG2      ILE  37  10.546   6.941   3.349
  263   3HG2  ILE  37          3HG2      ILE  37  11.978   7.850   2.872
  264   1HD1  ILE  37          1HD1      ILE  37  13.289   6.808   0.491
  265   2HD1  ILE  37          2HD1      ILE  37  13.023   6.106   2.089
  266   3HD1  ILE  37          3HD1      ILE  37  13.169   5.068   0.693
  267    HA   PRO  38           HA       PRO  38   5.955  10.013   2.082
  268   1HB   PRO  38          1HB       PRO  38   6.679   9.847   5.010
  269   2HB   PRO  38          2HB       PRO  38   5.088   9.825   4.274
  270   1HG   PRO  38          1HG       PRO  38   6.435   7.571   5.245
  271   2HG   PRO  38          2HG       PRO  38   5.203   7.478   4.010
  272   1HD   PRO  38          1HD       PRO  38   8.105   7.115   3.687
  273   2HD   PRO  38          2HD       PRO  38   6.787   6.717   2.561
  274    H    SER  39           H        SER  39   9.202  10.144   3.554
  275    HA   SER  39           HA       SER  39   9.218  12.782   4.335
  276   1HB   SER  39          1HB       SER  39  11.659  11.374   3.161
  277   2HB   SER  39          2HB       SER  39  11.552  12.402   4.601
  278    HG   SER  39           HG       SER  39  11.575  10.169   5.243
  279    H    LYS  40           H        LYS  40   9.077  11.566   1.151
  280    HA   LYS  40           HA       LYS  40  10.249  14.027  -0.059
  281   1HB   LYS  40          1HB       LYS  40   9.427  11.309  -1.245
  282   2HB   LYS  40          2HB       LYS  40  10.134  12.610  -2.160
  283   1HG   LYS  40          1HG       LYS  40  12.210  12.470  -0.770
  284   2HG   LYS  40          2HG       LYS  40  11.510  11.129   0.136
  285   1HD   LYS  40          1HD       LYS  40  11.352   9.777  -1.956
  286   2HD   LYS  40          2HD       LYS  40  11.965  11.120  -2.882
  287   1HE   LYS  40          1HE       LYS  40  13.801   9.567  -2.517
  288   2HE   LYS  40          2HE       LYS  40  14.136  11.032  -1.609
  289   1HZ   LYS  40          1HZ       LYS  40  13.026   8.523  -0.511
  290   2HZ   LYS  40          2HZ       LYS  40  14.618   9.082  -0.354
  291   3HZ   LYS  40          3HZ       LYS  40  13.346   9.937   0.370
  292    H    PHE  41           H        PHE  41   7.308  13.043   1.095
  293    HA   PHE  41           HA       PHE  41   5.831  14.224  -1.209
  294   1HB   PHE  41          1HB       PHE  41   5.034  11.981   0.677
  295   2HB   PHE  41          2HB       PHE  41   3.922  12.777  -0.408
  296    HD1  PHE  41           HD1      PHE  41   6.906  10.650  -0.275
  297    HD2  PHE  41           HD2      PHE  41   4.014  12.476  -2.808
  298    HE1  PHE  41           HE1      PHE  41   7.640   9.225  -2.121
  299    HE2  PHE  41           HE2      PHE  41   4.710  11.017  -4.661
  300    HZ   PHE  41           HZ       PHE  41   6.544   9.394  -4.340
  301    HA   PRO  42           HA       PRO  42   4.081  16.914   2.038
  302   1HB   PRO  42          1HB       PRO  42   3.383  18.960   0.316
  303   2HB   PRO  42          2HB       PRO  42   4.982  18.814   1.025
  304   1HG   PRO  42          1HG       PRO  42   4.130  17.964  -1.740
  305   2HG   PRO  42          2HG       PRO  42   5.581  18.851  -1.291
  306   1HD   PRO  42          1HD       PRO  42   5.542  16.134  -1.757
  307   2HD   PRO  42          2HD       PRO  42   6.682  16.843  -0.606
  308    H    ASN  43           H        ASN  43   3.277  15.011  -0.555
  309    HA   ASN  43           HA       ASN  43   0.505  15.638  -0.902
  310   1HB   ASN  43          1HB       ASN  43   2.146  14.363  -2.505
  311   2HB   ASN  43          2HB       ASN  43   1.959  12.972  -1.466
  312   1HD2  ASN  43          1HD2      ASN  43  -0.784  13.899  -4.283
  313   2HD2  ASN  43          2HD2      ASN  43   0.659  14.808  -4.058
  314    H    LYS  44           H        LYS  44  -1.056  13.654  -0.490
  315    HA   LYS  44           HA       LYS  44  -0.903  13.107   2.423
  316   1HB   LYS  44          1HB       LYS  44  -3.258  12.958   2.418
  317   2HB   LYS  44          2HB       LYS  44  -2.918  14.340   1.430
  318   1HG   LYS  44          1HG       LYS  44  -3.613  11.548   0.345
  319   2HG   LYS  44          2HG       LYS  44  -4.776  12.773   0.657
  320   1HD   LYS  44          1HD       LYS  44  -4.398  13.910  -1.262
  321   2HD   LYS  44          2HD       LYS  44  -2.683  13.817  -1.144
  322   1HE   LYS  44          1HE       LYS  44  -3.334  12.553  -3.128
  323   2HE   LYS  44          2HE       LYS  44  -2.748  11.411  -1.936
  324   1HZ   LYS  44          1HZ       LYS  44  -5.140  11.076  -1.312
  325   2HZ   LYS  44          2HZ       LYS  44  -5.556  11.907  -2.718
  326   3HZ   LYS  44          3HZ       LYS  44  -4.705  10.529  -2.855
  327    H    ASN  45           H        ASN  45  -0.189  11.631  -0.451
  328    HA   ASN  45           HA       ASN  45  -1.464   9.226  -0.388
  329   1HB   ASN  45          1HB       ASN  45   0.236   8.339  -1.917
  330   2HB   ASN  45          2HB       ASN  45  -0.306   9.947  -2.368
  331   1HD2  ASN  45          1HD2      ASN  45   3.368   9.827  -2.791
  332   2HD2  ASN  45          2HD2      ASN  45   2.031   9.039  -3.529
  333    H    LEU  46           H        LEU  46   2.049   9.060   0.475
  334    HA   LEU  46           HA       LEU  46   1.524   6.495   1.532
  335   1HB   LEU  46          1HB       LEU  46   3.986   8.210   2.086
  336   2HB   LEU  46          2HB       LEU  46   3.816   6.525   2.465
  337    HG   LEU  46           HG       LEU  46   4.796   6.114   0.543
  338   1HD1  LEU  46          1HD1      LEU  46   2.494   5.332  -0.031
  339   2HD1  LEU  46          2HD1      LEU  46   2.199   6.855  -0.870
  340   3HD1  LEU  46          3HD1      LEU  46   3.449   5.765  -1.431
  341   1HD2  LEU  46          1HD2      LEU  46   4.042   8.858  -0.507
  342   2HD2  LEU  46          2HD2      LEU  46   5.574   8.359   0.198
  343   3HD2  LEU  46          3HD2      LEU  46   5.065   7.698  -1.349
  344    H    LYS  47           H        LYS  47   1.996   5.610   3.595
  345    HA   LYS  47           HA       LYS  47   1.107   7.273   5.800
  346   1HB   LYS  47          1HB       LYS  47  -0.756   6.088   4.182
  347   2HB   LYS  47          2HB       LYS  47  -0.565   4.744   5.200
  348   1HG   LYS  47          1HG       LYS  47  -1.663   5.861   6.965
  349   2HG   LYS  47          2HG       LYS  47  -0.950   7.407   6.607
  350   1HD   LYS  47          1HD       LYS  47  -3.013   6.223   4.702
  351   2HD   LYS  47          2HD       LYS  47  -3.514   7.010   6.166
  352   1HE   LYS  47          1HE       LYS  47  -3.585   8.565   4.255
  353   2HE   LYS  47          2HE       LYS  47  -2.544   9.135   5.534
  354   1HZ   LYS  47          1HZ       LYS  47  -1.552   7.947   2.977
  355   2HZ   LYS  47          2HZ       LYS  47  -1.680   9.546   3.356
  356   3HZ   LYS  47          3HZ       LYS  47  -0.609   8.591   4.206
  357    H    LYS  48           H        LYS  48   0.398   4.721   7.204
  358    HA   LYS  48           HA       LYS  48   3.018   4.047   8.202
  359   1HB   LYS  48          1HB       LYS  48   0.356   2.565   8.598
  360   2HB   LYS  48          2HB       LYS  48   1.835   2.172   9.438
  361   1HG   LYS  48          1HG       LYS  48   1.890   4.170  10.669
  362   2HG   LYS  48          2HG       LYS  48   0.855   5.027   9.566
  363   1HD   LYS  48          1HD       LYS  48  -0.341   4.518  11.622
  364   2HD   LYS  48          2HD       LYS  48  -1.095   3.798  10.225
  365   1HE   LYS  48          1HE       LYS  48  -0.034   1.567  10.818
  366   2HE   LYS  48          2HE       LYS  48   0.651   2.304  12.262
  367   1HZ   LYS  48          1HZ       LYS  48  -2.218   2.102  11.597
  368   2HZ   LYS  48          2HZ       LYS  48  -1.387   1.117  12.694
  369   3HZ   LYS  48          3HZ       LYS  48  -1.588   2.775  13.010
  370    H    ASN  49           H        ASN  49   1.049   1.252   7.378
  371    HA   ASN  49           HA       ASN  49   2.801   0.581   5.066
  372   1HB   ASN  49          1HB       ASN  49   2.756  -1.774   5.812
  373   2HB   ASN  49          2HB       ASN  49   3.458  -0.786   7.083
  374   1HD2  ASN  49          1HD2      ASN  49   0.993  -3.357   8.372
  375   2HD2  ASN  49          2HD2      ASN  49   2.351  -3.383   7.351
  376    H    TYR  50           H        TYR  50  -0.150   1.389   6.077
  377    HA   TYR  50           HA       TYR  50  -1.999  -0.297   4.917
  378   1HB   TYR  50          1HB       TYR  50  -2.075   2.766   4.756
  379   2HB   TYR  50          2HB       TYR  50  -3.459   1.712   4.629
  380    HD1  TYR  50           HD1      TYR  50  -2.022  -0.044   7.153
  381    HD2  TYR  50           HD2      TYR  50  -3.457   3.923   6.421
  382    HE1  TYR  50           HE1      TYR  50  -2.461   0.225   9.520
  383    HE2  TYR  50           HE2      TYR  50  -3.922   4.193   8.810
  384    HH   TYR  50           HH       TYR  50  -4.377   2.653  10.786
  385    H    CYS  51           H        CYS  51  -2.785  -0.749   2.910
  386    HA   CYS  51           HA       CYS  51  -1.044  -0.352   0.747
  387   1HB   CYS  51          1HB       CYS  51  -4.028  -0.948   0.464
  388   2HB   CYS  51          2HB       CYS  51  -2.738  -1.474  -0.579
  389    H    ARG  52           H        ARG  52  -1.066   1.044  -1.049
  390    HA   ARG  52           HA       ARG  52  -2.996   3.279  -0.958
  391   1HB   ARG  52          1HB       ARG  52   0.065   3.557  -1.159
  392   2HB   ARG  52          2HB       ARG  52  -1.019   4.881  -1.413
  393   1HG   ARG  52          1HG       ARG  52  -0.769   3.423   1.224
  394   2HG   ARG  52          2HG       ARG  52  -0.044   4.944   0.816
  395   1HD   ARG  52          1HD       ARG  52  -3.054   4.404   1.070
  396   2HD   ARG  52          2HD       ARG  52  -2.045   5.434   2.067
  397    HE   ARG  52           HE       ARG  52  -1.725   6.954   0.351
  398   1HH1  ARG  52          1HH1      ARG  52  -4.474   4.779  -0.070
  399   2HH1  ARG  52          2HH1      ARG  52  -4.859   5.401  -1.661
  400   1HH2  ARG  52          1HH2      ARG  52  -2.573   8.001  -1.650
  401   2HH2  ARG  52          2HH2      ARG  52  -3.981   7.351  -2.391
  402    H    ASN  53           H        ASN  53  -2.038   4.753  -3.012
  403    HA   ASN  53           HA       ASN  53  -1.646   2.962  -5.259
  404   1HB   ASN  53          1HB       ASN  53  -4.321   3.983  -4.466
  405   2HB   ASN  53          2HB       ASN  53  -3.952   4.655  -6.028
  406   1HD2  ASN  53          1HD2      ASN  53  -5.594   1.244  -6.280
  407   2HD2  ASN  53          2HD2      ASN  53  -5.945   2.503  -5.174
  408    HA   PRO  54           HA       PRO  54   0.500   7.125  -5.138
  409   1HB   PRO  54          1HB       PRO  54   2.788   5.351  -6.047
  410   2HB   PRO  54          2HB       PRO  54   2.851   6.658  -4.896
  411   1HG   PRO  54          1HG       PRO  54   2.915   4.095  -4.036
  412   2HG   PRO  54          2HG       PRO  54   1.954   5.281  -3.161
  413   1HD   PRO  54          1HD       PRO  54   0.942   3.227  -5.134
  414   2HD   PRO  54          2HD       PRO  54   0.289   3.708  -3.569
  415    H    ASP  55           H        ASP  55   0.965   4.452  -7.339
  416    HA   ASP  55           HA       ASP  55   1.060   6.148  -9.756
  417   1HB   ASP  55          1HB       ASP  55   1.587   3.830 -10.821
  418   2HB   ASP  55          2HB       ASP  55   2.761   4.430  -9.658
  419    H    ARG  56           H        ARG  56  -1.197   5.122  -7.808
  420    HA   ARG  56           HA       ARG  56  -3.134   4.188  -7.829
  421   1HB   ARG  56          1HB       ARG  56  -4.840   5.691  -8.712
  422   2HB   ARG  56          2HB       ARG  56  -3.670   6.455  -7.736
  423   1HG   ARG  56          1HG       ARG  56  -3.176   6.481 -10.723
  424   2HG   ARG  56          2HG       ARG  56  -4.329   7.592 -10.025
  425   1HD   ARG  56          1HD       ARG  56  -2.621   8.567  -8.520
  426   2HD   ARG  56          2HD       ARG  56  -1.424   7.393  -9.065
  427    HE   ARG  56           HE       ARG  56  -2.645   8.948 -11.163
  428   1HH1  ARG  56          1HH1      ARG  56   0.045   8.664  -8.822
  429   2HH1  ARG  56          2HH1      ARG  56   1.013   9.859  -9.570
  430   1HH2  ARG  56          1HH2      ARG  56  -1.256  10.502 -12.204
  431   2HH2  ARG  56          2HH2      ARG  56   0.295  10.878 -11.572
  432    H    GLU  57           H        GLU  57  -2.400   2.393  -8.564
  433    HA   GLU  57           HA       GLU  57  -3.192   1.301 -11.124
  434   1HB   GLU  57          1HB       GLU  57  -1.219   0.548  -9.920
  435   2HB   GLU  57          2HB       GLU  57  -2.078   0.287  -8.436
  436   1HG   GLU  57          1HG       GLU  57  -2.998  -1.777  -9.130
  437   2HG   GLU  57          2HG       GLU  57  -2.701  -1.452 -10.851
  438    H    LEU  58           H        LEU  58  -4.605  -0.923 -10.566
  439    HA   LEU  58           HA       LEU  58  -7.144   0.215  -9.695
  440   1HB   LEU  58          1HB       LEU  58  -7.060  -1.353 -11.579
  441   2HB   LEU  58          2HB       LEU  58  -6.383  -2.609 -10.604
  442    HG   LEU  58           HG       LEU  58  -8.499  -2.609  -9.209
  443   1HD1  LEU  58          1HD1      LEU  58  -9.539  -0.695 -11.351
  444   2HD1  LEU  58          2HD1      LEU  58 -10.523  -1.492 -10.124
  445   3HD1  LEU  58          3HD1      LEU  58  -9.315  -0.317  -9.645
  446   1HD2  LEU  58          1HD2      LEU  58  -8.165  -4.248 -11.037
  447   2HD2  LEU  58          2HD2      LEU  58  -9.860  -3.802 -10.890
  448   3HD2  LEU  58          3HD2      LEU  58  -8.883  -3.125 -12.190
  449    H    ARG  59           H        ARG  59  -6.109  -2.994  -8.630
  450    HA   ARG  59           HA       ARG  59  -7.189  -2.631  -6.108
  451   1HB   ARG  59          1HB       ARG  59  -6.827  -4.737  -7.398
  452   2HB   ARG  59          2HB       ARG  59  -5.101  -4.597  -7.189
  453   1HG   ARG  59          1HG       ARG  59  -5.359  -4.926  -4.762
  454   2HG   ARG  59          2HG       ARG  59  -7.090  -5.063  -4.912
  455   1HD   ARG  59          1HD       ARG  59  -5.511  -6.886  -6.739
  456   2HD   ARG  59          2HD       ARG  59  -5.331  -7.231  -5.051
  457    HE   ARG  59           HE       ARG  59  -7.780  -7.405  -6.704
  458   1HH1  ARG  59          1HH1      ARG  59  -6.309  -7.560  -3.503
  459   2HH1  ARG  59          2HH1      ARG  59  -7.463  -8.709  -2.877
  460   1HH2  ARG  59          1HH2      ARG  59  -9.448  -8.898  -5.674
  461   2HH2  ARG  59          2HH2      ARG  59  -9.218  -9.266  -3.987
  462    HA   PRO  61           HA       PRO  61  -3.981   0.020  -4.443
  463   1HB   PRO  61          1HB       PRO  61  -4.601  -0.129  -1.694
  464   2HB   PRO  61          2HB       PRO  61  -5.528   0.782  -2.875
  465   1HG   PRO  61          1HG       PRO  61  -6.083  -1.980  -1.815
  466   2HG   PRO  61          2HG       PRO  61  -7.234  -0.660  -2.026
  467   1HD   PRO  61          1HD       PRO  61  -6.980  -2.732  -3.804
  468   2HD   PRO  61          2HD       PRO  61  -7.389  -1.100  -4.391
  469    H    TRP  62           H        TRP  62  -1.851  -0.269  -3.907
  470    HA   TRP  62           HA       TRP  62  -1.138  -2.988  -2.868
  471   1HB   TRP  62          1HB       TRP  62   0.754  -3.017  -4.467
  472   2HB   TRP  62          2HB       TRP  62  -0.720  -2.682  -5.335
  473    HD1  TRP  62           HD1      TRP  62  -0.911  -0.280  -6.591
  474    HE1  TRP  62           HE1      TRP  62   0.789   1.603  -6.967
  475    HE3  TRP  62           HE3      TRP  62   2.775  -1.868  -3.465
  476    HZ2  TRP  62           HZ2      TRP  62   3.332   2.385  -5.880
  477    HZ3  TRP  62           HZ3      TRP  62   4.833  -0.544  -3.154
  478    HH2  TRP  62           HH2      TRP  62   5.104   1.596  -4.373
  479    H    CYS  63           H        CYS  63   1.017  -3.201  -1.976
  480    HA   CYS  63           HA       CYS  63   2.452  -0.855  -1.105
  481   1HB   CYS  63          1HB       CYS  63   2.414  -1.664   1.402
  482   2HB   CYS  63          2HB       CYS  63   1.093  -0.717   0.843
  483    H    PHE  64           H        PHE  64   4.418  -1.567   0.180
  484    HA   PHE  64           HA       PHE  64   5.593  -3.752  -1.333
  485   1HB   PHE  64          1HB       PHE  64   6.674  -1.959   0.907
  486   2HB   PHE  64          2HB       PHE  64   7.659  -3.143   0.065
  487    HD1  PHE  64           HD1      PHE  64   7.419  -3.024  -2.611
  488    HD2  PHE  64           HD2      PHE  64   6.881   0.264   0.072
  489    HE1  PHE  64           HE1      PHE  64   7.894  -1.441  -4.448
  490    HE2  PHE  64           HE2      PHE  64   7.405   1.828  -1.757
  491    HZ   PHE  64           HZ       PHE  64   7.925   0.940  -4.028
  492    H    THR  65           H        THR  65   6.450  -5.688  -0.399
  493    HA   THR  65           HA       THR  65   4.715  -6.517   1.868
  494    HB   THR  65           HB       THR  65   4.761  -8.629   1.111
  495    HG1  THR  65           HG1      THR  65   7.308  -8.307  -0.040
  496   1HG2  THR  65          1HG2      THR  65   4.009  -7.164  -0.849
  497   2HG2  THR  65          2HG2      THR  65   5.564  -7.440  -1.587
  498   3HG2  THR  65          3HG2      THR  65   4.504  -8.801  -1.252
  499    H    THR  66           H        THR  66   5.730  -8.164   3.416
  500    HA   THR  66           HA       THR  66   8.200  -6.963   4.465
  501    HB   THR  66           HB       THR  66   7.645  -8.792   6.301
  502    HG1  THR  66           HG1      THR  66   5.065  -8.580   5.249
  503   1HG2  THR  66          1HG2      THR  66   5.890  -6.315   5.896
  504   2HG2  THR  66          2HG2      THR  66   5.995  -7.251   7.388
  505   3HG2  THR  66          3HG2      THR  66   7.408  -6.410   6.766
  506    H    ASP  67           H        ASP  67   7.453  -9.373   2.201
  507    HA   ASP  67           HA       ASP  67   9.435 -11.282   3.070
  508   1HB   ASP  67          1HB       ASP  67   7.455 -11.956   1.719
  509   2HB   ASP  67          2HB       ASP  67   7.963 -10.915   0.410
  510    HA   PRO  68           HA       PRO  68  12.773  -8.822   1.468
  511   1HB   PRO  68          1HB       PRO  68  14.855 -10.656   1.478
  512   2HB   PRO  68          2HB       PRO  68  14.139  -9.975   2.927
  513   1HG   PRO  68          1HG       PRO  68  13.501 -12.645   1.661
  514   2HG   PRO  68          2HG       PRO  68  13.828 -12.317   3.362
  515   1HD   PRO  68          1HD       PRO  68  11.268 -12.544   2.362
  516   2HD   PRO  68          2HD       PRO  68  11.629 -11.418   3.685
  517    H    ASN  69           H        ASN  69  11.295 -11.149  -0.418
  518    HA   ASN  69           HA       ASN  69  13.004 -10.411  -2.770
  519   1HB   ASN  69          1HB       ASN  69  11.502 -13.046  -2.263
  520   2HB   ASN  69          2HB       ASN  69  12.263 -12.615  -3.778
  521   1HD2  ASN  69          1HD2      ASN  69  15.477 -12.664  -1.555
  522   2HD2  ASN  69          2HD2      ASN  69  14.490 -11.264  -1.761
  523    H    LYS  70           H        LYS  70   9.721 -10.799  -1.468
  524    HA   LYS  70           HA       LYS  70   8.665  -9.983  -4.093
  525   1HB   LYS  70          1HB       LYS  70   7.453 -11.661  -2.571
  526   2HB   LYS  70          2HB       LYS  70   7.142 -10.371  -1.476
  527   1HG   LYS  70          1HG       LYS  70   5.175 -10.429  -2.745
  528   2HG   LYS  70          2HG       LYS  70   6.036  -9.094  -3.456
  529   1HD   LYS  70          1HD       LYS  70   6.957 -11.008  -5.131
  530   2HD   LYS  70          2HD       LYS  70   5.601 -11.901  -4.517
  531   1HE   LYS  70          1HE       LYS  70   5.630  -9.438  -6.274
  532   2HE   LYS  70          2HE       LYS  70   4.674 -10.905  -6.424
  533   1HZ   LYS  70          1HZ       LYS  70   3.511 -10.048  -4.334
  534   2HZ   LYS  70          2HZ       LYS  70   4.252  -8.565  -4.719
  535   3HZ   LYS  70          3HZ       LYS  70   3.194  -9.281  -5.808
  536    H    ARG  71           H        ARG  71   9.187  -8.005  -4.526
  537    HA   ARG  71           HA       ARG  71   9.406  -5.848  -2.697
  538   1HB   ARG  71          1HB       ARG  71  10.565  -5.813  -4.809
  539   2HB   ARG  71          2HB       ARG  71   9.110  -5.931  -5.739
  540   1HG   ARG  71          1HG       ARG  71   8.460  -3.619  -5.080
  541   2HG   ARG  71          2HG       ARG  71   9.827  -3.497  -4.010
  542   1HD   ARG  71          1HD       ARG  71  11.377  -3.344  -5.806
  543   2HD   ARG  71          2HD       ARG  71  10.281  -4.122  -6.965
  544    HE   ARG  71           HE       ARG  71   8.846  -1.951  -6.461
  545   1HH1  ARG  71          1HH1      ARG  71  12.268  -2.295  -7.172
  546   2HH1  ARG  71          2HH1      ARG  71  12.385  -0.810  -8.038
  547   1HH2  ARG  71          1HH2      ARG  71   8.939  -0.047  -7.591
  548   2HH2  ARG  71          2HH2      ARG  71  10.413   0.556  -8.233
  549    H    TRP  72           H        TRP  72   7.064  -5.394  -5.341
  550    HA   TRP  72           HA       TRP  72   5.212  -4.293  -3.333
  551   1HB   TRP  72          1HB       TRP  72   4.133  -3.148  -5.148
  552   2HB   TRP  72          2HB       TRP  72   5.825  -2.838  -5.316
  553    HD1  TRP  72           HD1      TRP  72   7.185  -4.351  -7.290
  554    HE1  TRP  72           HE1      TRP  72   6.292  -4.997  -9.595
  555    HE3  TRP  72           HE3      TRP  72   2.226  -3.854  -6.359
  556    HZ2  TRP  72           HZ2      TRP  72   3.735  -5.169 -10.878
  557    HZ3  TRP  72           HZ3      TRP  72   0.574  -4.222  -8.158
  558    HH2  TRP  72           HH2      TRP  72   1.318  -4.816 -10.414
  559    H    GLU  73           H        GLU  73   2.868  -4.673  -3.534
  560    HA   GLU  73           HA       GLU  73   1.993  -6.796  -5.206
  561   1HB   GLU  73          1HB       GLU  73   3.152  -8.062  -3.202
  562   2HB   GLU  73          2HB       GLU  73   1.923  -7.415  -2.205
  563   1HG   GLU  73          1HG       GLU  73   0.156  -8.568  -3.490
  564   2HG   GLU  73          2HG       GLU  73   1.269  -9.035  -4.748
  565    H    LEU  74           H        LEU  74  -0.168  -7.001  -5.338
  566    HA   LEU  74           HA       LEU  74  -1.701  -4.689  -4.560
  567   1HB   LEU  74          1HB       LEU  74  -2.770  -7.327  -5.699
  568   2HB   LEU  74          2HB       LEU  74  -3.549  -5.775  -5.772
  569    HG   LEU  74           HG       LEU  74  -0.942  -6.348  -7.229
  570   1HD1  LEU  74          1HD1      LEU  74  -2.737  -7.844  -8.055
  571   2HD1  LEU  74          2HD1      LEU  74  -3.781  -6.451  -8.329
  572   3HD1  LEU  74          3HD1      LEU  74  -2.297  -6.638  -9.258
  573   1HD2  LEU  74          1HD2      LEU  74  -2.953  -4.048  -7.514
  574   2HD2  LEU  74          2HD2      LEU  74  -1.311  -3.921  -6.916
  575   3HD2  LEU  74          3HD2      LEU  74  -1.608  -4.344  -8.586
  576    H    CYS  75           H        CYS  75  -3.001  -4.509  -2.816
  577    HA   CYS  75           HA       CYS  75  -3.178  -6.672  -0.859
  578   1HB   CYS  75          1HB       CYS  75  -4.298  -3.826  -0.900
  579   2HB   CYS  75          2HB       CYS  75  -4.359  -4.883   0.485
  580    H    ASP  76           H        ASP  76  -5.265  -6.871   0.297
  581    HA   ASP  76           HA       ASP  76  -7.541  -6.825  -1.641
  582   1HB   ASP  76          1HB       ASP  76  -6.675  -9.223  -1.030
  583   2HB   ASP  76          2HB       ASP  76  -7.334  -8.957   0.555
  584    H    ILE  77           H        ILE  77  -8.826  -5.353  -1.186
  585    HA   ILE  77           HA       ILE  77  -9.097  -4.377   1.589
  586    HB   ILE  77           HB       ILE  77  -8.647  -3.119  -1.092
  587   1HG1  ILE  77          1HG1      ILE  77  -7.337  -1.481   0.046
  588   2HG1  ILE  77          2HG1      ILE  77  -7.974  -1.850   1.592
  589   1HG2  ILE  77          1HG2      ILE  77 -10.923  -2.186  -0.627
  590   2HG2  ILE  77          2HG2      ILE  77 -10.284  -1.514   0.877
  591   3HG2  ILE  77          3HG2      ILE  77  -9.638  -1.011  -0.691
  592   1HD1  ILE  77          1HD1      ILE  77  -6.316  -3.812  -0.032
  593   2HD1  ILE  77          2HD1      ILE  77  -5.657  -2.745   1.219
  594   3HD1  ILE  77          3HD1      ILE  77  -6.796  -4.006   1.655
  595    HA   PRO  78           HA       PRO  78 -13.410  -5.379   1.271
  596   1HB   PRO  78          1HB       PRO  78 -14.149  -2.831   2.667
  597   2HB   PRO  78          2HB       PRO  78 -14.435  -4.481   3.158
  598   1HG   PRO  78          1HG       PRO  78 -12.481  -2.863   4.315
  599   2HG   PRO  78          2HG       PRO  78 -12.375  -4.616   4.283
  600   1HD   PRO  78          1HD       PRO  78 -10.854  -2.682   2.599
  601   2HD   PRO  78          2HD       PRO  78 -10.442  -4.321   3.135
  602    H    ARG  79           H        ARG  79 -14.735  -5.254  -0.359
  603    HA   ARG  79           HA       ARG  79 -14.813  -2.939  -2.109
  604   1HB   ARG  79          1HB       ARG  79 -15.138  -5.388  -2.825
  605   2HB   ARG  79          2HB       ARG  79 -16.647  -5.394  -1.974
  606   1HG   ARG  79          1HG       ARG  79 -17.341  -5.015  -4.171
  607   2HG   ARG  79          2HG       ARG  79 -17.374  -3.412  -3.521
  608   1HD   ARG  79          1HD       ARG  79 -16.347  -3.302  -5.699
  609   2HD   ARG  79          2HD       ARG  79 -15.004  -3.070  -4.558
  610    HE   ARG  79           HE       ARG  79 -15.068  -5.744  -4.870
  611   1HH1  ARG  79          1HH1      ARG  79 -14.908  -3.022  -7.123
  612   2HH1  ARG  79          2HH1      ARG  79 -14.155  -3.892  -8.398
  613   1HH2  ARG  79          1HH2      ARG  79 -13.990  -6.920  -6.566
  614   2HH2  ARG  79          2HH2      ARG  79 -13.571  -6.159  -8.048
  615    H    CYS  80           H        CYS  80 -16.597  -1.456  -2.273
  616    HA   CYS  80           HA       CYS  80 -18.162  -1.110   0.184
  617   1HB   CYS  80          1HB       CYS  80 -18.434   0.298  -2.516
  618   2HB   CYS  80          2HB       CYS  80 -19.312   0.746  -1.072
  619    H    THR  81           H        THR  81 -19.085  -3.268   0.154
  620    HA   THR  81           HA       THR  81 -21.510  -3.479  -1.573
  621    HB   THR  81           HB       THR  81 -21.339  -5.951  -0.830
  622    HG1  THR  81           HG1      THR  81 -19.925  -5.357   0.992
  623   1HG2  THR  81          1HG2      THR  81 -18.905  -4.840  -2.302
  624   2HG2  THR  81          2HG2      THR  81 -19.432  -6.518  -2.313
  625   3HG2  THR  81          3HG2      THR  81 -20.440  -5.271  -3.049
  626    H1   AMH  84           H1       AMH  84   5.845  -1.411  -9.236
  627   1H2   AMH  84          1H2       AMH  84   5.922   0.905 -10.260
  628   2H2   AMH  84          2H2       AMH  84   4.865   1.449  -8.941
  629   1H3   AMH  84          1H3       AMH  84   3.661   0.947 -11.084
  630   2H3   AMH  84          2H3       AMH  84   4.111  -0.749 -10.897
  631    H4   AMH  84           H4       AMH  84   2.519   0.852  -8.840
  632   1H5   AMH  84          1H5       AMH  84   2.338  -1.370  -7.710
  633   2H5   AMH  84          2H5       AMH  84   3.289  -2.072  -8.998
  634   1H6   AMH  84          1H6       AMH  84   4.739  -1.648  -7.026
  635   2H6   AMH  84          2H6       AMH  84   4.323   0.030  -7.054
  636   1H7   AMH  84          1H7       AMH  84   1.417  -1.610 -10.210
  637   2H7   AMH  84          2H7       AMH  84   0.579  -0.243  -9.458
  638   1HN   AMH  84          1HN       AMH  84   0.327  -0.101 -11.735
  639   2HN   AMH  84          2HN       AMH  84   1.371   1.095 -11.341
  640   3HN   AMH  84          3HN       AMH  84   1.921  -0.270 -12.055
  Start of MODEL    9
    1   1H    THR  -4          1H        THR  -4 -15.651   7.750   8.222
    2   2H    THR  -4          2H        THR  -4 -16.154   7.507   9.785
    3   3H    THR  -4          3H        THR  -4 -16.242   9.019   9.108
    4    HA   THR  -4           HA       THR  -4 -14.180   9.491   9.572
    5    HB   THR  -4           HB       THR  -4 -13.396   7.585  11.398
    6    HG1  THR  -4           HG1      THR  -4 -15.368   6.411  11.940
    7   1HG2  THR  -4          1HG2      THR  -4 -14.282   9.876  12.016
    8   2HG2  THR  -4          2HG2      THR  -4 -15.931   9.286  11.837
    9   3HG2  THR  -4          3HG2      THR  -4 -14.888   8.641  13.102
   10    H    SER  -3           H        SER  -3 -14.235   5.969   9.534
   11    HA   SER  -3           HA       SER  -3 -11.869   5.796   7.817
   12   1HB   SER  -3          1HB       SER  -3 -12.356   3.967   9.410
   13   2HB   SER  -3          2HB       SER  -3 -13.927   3.668   8.659
   14    HG   SER  -3           HG       SER  -3 -11.880   2.367   7.892
   15    H    GLU  -2           H        GLU  -2 -11.952   4.810   5.700
   16    HA   GLU  -2           HA       GLU  -2 -14.406   5.251   4.126
   17   1HB   GLU  -2          1HB       GLU  -2 -12.655   6.229   2.362
   18   2HB   GLU  -2          2HB       GLU  -2 -13.320   7.244   3.599
   19   1HG   GLU  -2          1HG       GLU  -2 -10.924   7.654   3.388
   20   2HG   GLU  -2          2HG       GLU  -2 -11.293   7.081   4.986
   21    H    GLU  -1           H        GLU  -1 -13.022   2.960   5.340
   22    HA   GLU  -1           HA       GLU  -1 -11.528   1.672   3.294
   23   1HB   GLU  -1          1HB       GLU  -1 -12.632   0.792   5.972
   24   2HB   GLU  -1          2HB       GLU  -1 -11.728  -0.302   4.966
   25   1HG   GLU  -1          1HG       GLU  -1  -9.813   1.227   4.861
   26   2HG   GLU  -1          2HG       GLU  -1 -10.622   2.452   5.776
   27    H    CYS   1           H        CYS   1 -13.212   2.031   1.618
   28    HA   CYS   1           HA       CYS   1 -13.858  -0.583   0.869
   29   1HB   CYS   1          1HB       CYS   1 -16.133  -0.674   0.610
   30   2HB   CYS   1          2HB       CYS   1 -16.055   0.139   2.124
   31    H    MET   2           H        MET   2 -13.514  -0.664  -1.307
   32    HA   MET   2           HA       MET   2 -13.338   1.997  -2.724
   33   1HB   MET   2          1HB       MET   2 -11.349  -0.321  -2.618
   34   2HB   MET   2          2HB       MET   2 -11.432   0.687  -4.052
   35   1HG   MET   2          1HG       MET   2  -9.680   1.339  -2.299
   36   2HG   MET   2          2HG       MET   2 -10.613   2.587  -3.079
   37   1HE   MET   2          1HE       MET   2  -9.679   0.781   0.091
   38   2HE   MET   2          2HE       MET   2 -10.825   1.319   1.313
   39   3HE   MET   2          3HE       MET   2 -11.334   0.158   0.075
   40    H    HIS   3           H        HIS   3 -13.710   2.077  -4.792
   41    HA   HIS   3           HA       HIS   3 -15.567   0.081  -5.844
   42   1HB   HIS   3          1HB       HIS   3 -14.290   2.593  -7.093
   43   2HB   HIS   3          2HB       HIS   3 -15.446   1.564  -7.918
   44    HD1  HIS   3           HD1      HIS   3 -16.210   2.035  -4.275
   45    HD2  HIS   3           HD2      HIS   3 -17.166   3.792  -7.974
   46    HE1  HIS   3           HE1      HIS   3 -18.218   3.513  -3.903
   47    H    GLY   4           H        GLY   4 -12.195   1.062  -6.306
   48   1HA   GLY   4          1HA       GLY   4 -11.560  -1.607  -7.260
   49   2HA   GLY   4          2HA       GLY   4 -11.519  -0.410  -8.566
   50    H    SER   5           H        SER   5  -9.992   1.617  -8.095
   51    HA   SER   5           HA       SER   5  -7.458   0.489  -7.382
   52   1HB   SER   5          1HB       SER   5  -6.835   2.766  -8.533
   53   2HB   SER   5          2HB       SER   5  -7.686   1.552  -9.492
   54    HG   SER   5           HG       SER   5  -8.761   3.632  -9.610
   55    H    GLY   6           H        GLY   6  -9.638   2.897  -6.043
   56   1HA   GLY   6          1HA       GLY   6  -9.440   4.156  -4.072
   57   2HA   GLY   6          2HA       GLY   6  -8.342   2.866  -3.541
   58    H    GLU   7           H        GLU   7  -8.082   5.330  -6.056
   59    HA   GLU   7           HA       GLU   7  -5.359   5.887  -5.336
   60   1HB   GLU   7          1HB       GLU   7  -6.074   6.407  -7.590
   61   2HB   GLU   7          2HB       GLU   7  -7.241   7.571  -7.022
   62   1HG   GLU   7          1HG       GLU   7  -5.298   8.723  -7.941
   63   2HG   GLU   7          2HG       GLU   7  -5.425   9.083  -6.244
   64    H    ASN   8           H        ASN   8  -8.367   7.166  -4.098
   65    HA   ASN   8           HA       ASN   8  -6.843   9.219  -2.551
   66   1HB   ASN   8          1HB       ASN   8  -9.004   9.841  -3.682
   67   2HB   ASN   8          2HB       ASN   8  -9.865   8.721  -2.642
   68   1HD2  ASN   8          1HD2      ASN   8 -10.450  11.644  -0.750
   69   2HD2  ASN   8          2HD2      ASN   8 -11.111  10.574  -1.932
   70    H    TYR   9           H        TYR   9  -7.787   6.001  -2.199
   71    HA   TYR   9           HA       TYR   9  -8.675   5.953   0.500
   72   1HB   TYR   9          1HB       TYR   9  -9.307   4.066  -0.766
   73   2HB   TYR   9          2HB       TYR   9  -7.774   3.940  -1.578
   74    HD1  TYR   9           HD1      TYR   9  -9.302   3.469   1.793
   75    HD2  TYR   9           HD2      TYR   9  -6.220   2.322  -0.945
   76    HE1  TYR   9           HE1      TYR   9  -8.543   1.752   3.345
   77    HE2  TYR   9           HE2      TYR   9  -5.452   0.639   0.602
   78    HH   TYR   9           HH       TYR   9  -5.599  -0.135   2.915
   79    H    ASP  10           H        ASP  10  -7.576   6.197   2.293
   80    HA   ASP  10           HA       ASP  10  -5.007   4.858   2.575
   81   1HB   ASP  10          1HB       ASP  10  -4.546   7.309   3.992
   82   2HB   ASP  10          2HB       ASP  10  -3.598   6.601   2.726
   83    H    GLY  11           H        GLY  11  -6.810   3.530   3.528
   84   1HA   GLY  11          1HA       GLY  11  -7.811   4.515   6.083
   85   2HA   GLY  11          2HA       GLY  11  -8.264   3.050   5.213
   86    H    LYS  12           H        LYS  12  -7.488   1.230   5.912
   87    HA   LYS  12           HA       LYS  12  -4.921   1.201   7.453
   88   1HB   LYS  12          1HB       LYS  12  -7.382  -0.264   8.484
   89   2HB   LYS  12          2HB       LYS  12  -5.859  -0.159   9.267
   90   1HG   LYS  12          1HG       LYS  12  -7.725   2.206   8.716
   91   2HG   LYS  12          2HG       LYS  12  -7.713   1.323  10.192
   92   1HD   LYS  12          1HD       LYS  12  -5.185   2.749   9.213
   93   2HD   LYS  12          2HD       LYS  12  -6.441   3.564  10.086
   94   1HE   LYS  12          1HE       LYS  12  -4.878   2.970  11.755
   95   2HE   LYS  12          2HE       LYS  12  -6.196   1.828  11.965
   96   1HZ   LYS  12          1HZ       LYS  12  -4.854   0.241  10.651
   97   2HZ   LYS  12          2HZ       LYS  12  -3.603   1.388  10.642
   98   3HZ   LYS  12          3HZ       LYS  12  -4.116   0.732  12.103
   99    H    ILE  13           H        ILE  13  -6.839  -0.485   5.077
  100    HA   ILE  13           HA       ILE  13  -5.751  -3.069   5.785
  101    HB   ILE  13           HB       ILE  13  -6.852  -2.371   3.056
  102   1HG1  ILE  13          1HG1      ILE  13  -8.982  -3.589   4.310
  103   2HG1  ILE  13          2HG1      ILE  13  -8.384  -2.602   5.607
  104   1HG2  ILE  13          1HG2      ILE  13  -6.688  -5.008   4.559
  105   2HG2  ILE  13          2HG2      ILE  13  -7.491  -4.769   3.014
  106   3HG2  ILE  13          3HG2      ILE  13  -5.760  -4.545   3.129
  107   1HD1  ILE  13          1HD1      ILE  13  -9.044  -1.574   2.779
  108   2HD1  ILE  13          2HD1      ILE  13 -10.142  -1.508   4.149
  109   3HD1  ILE  13          3HD1      ILE  13  -8.651  -0.574   4.173
  110    H    SER  14           H        SER  14  -3.962  -4.013   5.178
  111    HA   SER  14           HA       SER  14  -2.278  -2.849   3.050
  112   1HB   SER  14          1HB       SER  14  -1.727  -2.015   5.504
  113   2HB   SER  14          2HB       SER  14  -1.214  -3.639   5.820
  114    HG   SER  14           HG       SER  14  -0.106  -2.021   3.772
  115    H    LYS  15           H        LYS  15  -3.883  -5.444   3.447
  116    HA   LYS  15           HA       LYS  15  -1.633  -7.403   3.476
  117   1HB   LYS  15          1HB       LYS  15  -3.773  -7.550   4.885
  118   2HB   LYS  15          2HB       LYS  15  -4.638  -7.989   3.452
  119   1HG   LYS  15          1HG       LYS  15  -2.233  -9.474   4.671
  120   2HG   LYS  15          2HG       LYS  15  -3.896  -9.889   4.960
  121   1HD   LYS  15          1HD       LYS  15  -2.405 -10.155   2.330
  122   2HD   LYS  15          2HD       LYS  15  -2.942 -11.440   3.360
  123   1HE   LYS  15          1HE       LYS  15  -5.366 -10.771   2.945
  124   2HE   LYS  15          2HE       LYS  15  -4.785  -9.528   1.862
  125   1HZ   LYS  15          1HZ       LYS  15  -3.818 -11.232   0.479
  126   2HZ   LYS  15          2HZ       LYS  15  -4.505 -12.433   1.456
  127   3HZ   LYS  15          3HZ       LYS  15  -5.504 -11.340   0.642
  128    H    THR  16           H        THR  16  -0.791  -8.156   1.607
  129    HA   THR  16           HA       THR  16  -1.922  -7.368  -0.859
  130    HB   THR  16           HB       THR  16  -0.141  -8.250  -1.974
  131    HG1  THR  16           HG1      THR  16   0.465 -10.250  -1.288
  132   1HG2  THR  16          1HG2      THR  16   0.438  -6.306  -0.672
  133   2HG2  THR  16          2HG2      THR  16   0.884  -7.282   0.730
  134   3HG2  THR  16          3HG2      THR  16   1.823  -7.389  -0.735
  135    H    MET  17           H        MET  17  -3.097  -8.376  -2.289
  136    HA   MET  17           HA       MET  17  -5.052 -10.076  -1.473
  137   1HB   MET  17          1HB       MET  17  -5.839 -10.122  -3.754
  138   2HB   MET  17          2HB       MET  17  -5.129  -8.604  -3.424
  139   1HG   MET  17          1HG       MET  17  -3.147  -9.150  -4.757
  140   2HG   MET  17          2HG       MET  17  -3.632 -10.835  -4.899
  141   1HE   MET  17          1HE       MET  17  -5.083  -7.361  -5.219
  142   2HE   MET  17          2HE       MET  17  -5.856  -7.317  -6.796
  143   3HE   MET  17          3HE       MET  17  -6.679  -8.103  -5.429
  144    H    SER  18           H        SER  18  -2.098 -11.123  -3.228
  145    HA   SER  18           HA       SER  18  -2.853 -13.931  -2.640
  146   1HB   SER  18          1HB       SER  18  -1.123 -14.171  -4.660
  147   2HB   SER  18          2HB       SER  18  -2.711 -13.523  -4.988
  148    HG   SER  18           HG       SER  18  -0.496 -11.850  -4.433
  149    H    GLY  19           H        GLY  19  -1.428 -12.109  -0.609
  150   1HA   GLY  19          1HA       GLY  19   0.740 -14.059  -0.272
  151   2HA   GLY  19          2HA       GLY  19   1.332 -12.501  -0.808
  152    H    LEU  20           H        LEU  20   1.320 -10.738   0.772
  153    HA   LEU  20           HA       LEU  20   1.226 -11.827   3.554
  154   1HB   LEU  20          1HB       LEU  20   3.484 -10.068   2.431
  155   2HB   LEU  20          2HB       LEU  20   3.483 -10.985   3.891
  156    HG   LEU  20           HG       LEU  20   3.232 -13.033   2.094
  157   1HD1  LEU  20          1HD1      LEU  20   3.284 -11.471   0.077
  158   2HD1  LEU  20          2HD1      LEU  20   4.877 -10.934   0.582
  159   3HD1  LEU  20          3HD1      LEU  20   4.626 -12.601   0.098
  160   1HD2  LEU  20          1HD2      LEU  20   5.006 -12.850   3.817
  161   2HD2  LEU  20          2HD2      LEU  20   5.698 -13.318   2.267
  162   3HD2  LEU  20          3HD2      LEU  20   5.858 -11.658   2.837
  163    H    GLU  21           H        GLU  21   1.836 -10.077   5.158
  164    HA   GLU  21           HA       GLU  21   0.190  -7.712   4.721
  165   1HB   GLU  21          1HB       GLU  21   0.405  -8.704   7.001
  166   2HB   GLU  21          2HB       GLU  21   2.136  -8.515   6.950
  167   1HG   GLU  21          1HG       GLU  21   1.265  -6.782   8.364
  168   2HG   GLU  21          2HG       GLU  21   1.855  -5.998   6.925
  169    H    CYS  22           H        CYS  22   0.923  -5.720   4.082
  170    HA   CYS  22           HA       CYS  22   3.495  -5.734   2.736
  171   1HB   CYS  22          1HB       CYS  22   1.241  -3.772   2.956
  172   2HB   CYS  22          2HB       CYS  22   2.793  -3.179   2.380
  173    H    GLN  23           H        GLN  23   4.934  -4.184   2.756
  174    HA   GLN  23           HA       GLN  23   6.092  -3.549   5.379
  175   1HB   GLN  23          1HB       GLN  23   7.380  -4.907   3.780
  176   2HB   GLN  23          2HB       GLN  23   7.022  -3.842   2.467
  177   1HG   GLN  23          1HG       GLN  23   8.479  -2.355   4.571
  178   2HG   GLN  23          2HG       GLN  23   9.312  -3.833   4.128
  179   1HE2  GLN  23          1HE2      GLN  23   8.635  -0.934   1.301
  180   2HE2  GLN  23          2HE2      GLN  23   7.623  -1.022   2.652
  181    H    ALA  24           H        ALA  24   6.448  -1.457   5.952
  182    HA   ALA  24           HA       ALA  24   4.677   0.424   4.883
  183   1HB   ALA  24          1HB       ALA  24   7.035   0.822   6.780
  184   2HB   ALA  24          2HB       ALA  24   5.798   2.048   6.491
  185   3HB   ALA  24          3HB       ALA  24   5.361   0.509   7.223
  186    H    TRP  25           H        TRP  25   5.028   2.540   3.998
  187    HA   TRP  25           HA       TRP  25   6.643   2.470   1.652
  188   1HB   TRP  25          1HB       TRP  25   4.993   4.726   2.942
  189   2HB   TRP  25          2HB       TRP  25   5.695   4.814   1.336
  190    HD1  TRP  25           HD1      TRP  25   2.657   3.420   3.184
  191    HE1  TRP  25           HE1      TRP  25   1.089   2.289   1.542
  192    HE3  TRP  25           HE3      TRP  25   5.699   3.417  -0.900
  193    HZ2  TRP  25           HZ2      TRP  25   1.147   1.497  -1.179
  194    HZ3  TRP  25           HZ3      TRP  25   4.870   2.496  -3.049
  195    HH2  TRP  25           HH2      TRP  25   2.579   1.541  -3.182
  196    H    ASP  26           H        ASP  26   7.642   3.093   4.795
  197    HA   ASP  26           HA       ASP  26   9.287   5.404   4.178
  198   1HB   ASP  26          1HB       ASP  26  10.029   5.027   6.634
  199   2HB   ASP  26          2HB       ASP  26   8.346   5.350   6.363
  200    H    SER  27           H        SER  27  11.421   3.937   5.994
  201    HA   SER  27           HA       SER  27  12.572   2.184   3.911
  202   1HB   SER  27          1HB       SER  27  13.569   4.513   3.675
  203   2HB   SER  27          2HB       SER  27  14.129   4.416   5.354
  204    HG   SER  27           HG       SER  27  15.789   3.715   3.857
  205    H    GLN  28           H        GLN  28  13.077   0.356   4.724
  206    HA   GLN  28           HA       GLN  28  13.775   0.087   7.547
  207   1HB   GLN  28          1HB       GLN  28  11.789  -1.425   7.941
  208   2HB   GLN  28          2HB       GLN  28  11.440   0.251   7.727
  209   1HG   GLN  28          1HG       GLN  28  10.432  -2.033   6.130
  210   2HG   GLN  28          2HG       GLN  28   9.707  -0.515   6.531
  211   1HE2  GLN  28          1HE2      GLN  28  10.137   0.999   3.460
  212   2HE2  GLN  28          2HE2      GLN  28   9.437   1.018   5.018
  213    H    SER  29           H        SER  29  12.426  -2.139   5.204
  214    HA   SER  29           HA       SER  29  14.606  -3.495   4.260
  215   1HB   SER  29          1HB       SER  29  14.331  -5.627   5.821
  216   2HB   SER  29          2HB       SER  29  15.106  -4.259   6.584
  217    HG   SER  29           HG       SER  29  12.310  -4.522   6.754
  218    HA   PRO  30           HA       PRO  30  14.453  -6.018   3.437
  219   1HB   PRO  30          1HB       PRO  30  13.478  -6.269   0.613
  220   2HB   PRO  30          2HB       PRO  30  14.087  -7.519   1.686
  221   1HG   PRO  30          1HG       PRO  30  11.417  -7.302   1.165
  222   2HG   PRO  30          2HG       PRO  30  11.957  -7.686   2.797
  223   1HD   PRO  30          1HD       PRO  30  11.163  -4.977   1.696
  224   2HD   PRO  30          2HD       PRO  30  10.622  -5.722   3.206
  225    H    HIS  31           H        HIS  31  13.362  -3.139   1.629
  226    HA   HIS  31           HA       HIS  31  16.043  -2.264   1.521
  227   1HB   HIS  31          1HB       HIS  31  15.375  -3.986  -0.701
  228   2HB   HIS  31          2HB       HIS  31  15.297  -2.387  -1.382
  229    HD1  HIS  31           HD1      HIS  31  17.639  -4.368   0.852
  230    HD2  HIS  31           HD2      HIS  31  17.730  -1.373  -2.087
  231    HE1  HIS  31           HE1      HIS  31  20.106  -3.850   0.364
  232    H    ALA  32           H        ALA  32  16.339  -0.221   0.545
  233    HA   ALA  32           HA       ALA  32  14.074   1.506   0.996
  234   1HB   ALA  32          1HB       ALA  32  16.405   2.184   1.590
  235   2HB   ALA  32          2HB       ALA  32  16.875   2.137  -0.110
  236   3HB   ALA  32          3HB       ALA  32  15.710   3.334   0.452
  237    H    HIS  33           H        HIS  33  12.699   0.645  -0.473
  238    HA   HIS  33           HA       HIS  33  12.987   0.728  -3.340
  239   1HB   HIS  33          1HB       HIS  33  10.420   0.290  -3.222
  240   2HB   HIS  33          2HB       HIS  33  11.378  -0.796  -2.235
  241    HD1  HIS  33           HD1      HIS  33   9.632   2.586  -1.652
  242    HD2  HIS  33           HD2      HIS  33  10.723  -0.950   0.358
  243    HE1  HIS  33           HE1      HIS  33   8.786   2.780   0.694
  244    H    GLY  34           H        GLY  34  11.165   1.887  -4.612
  245   1HA   GLY  34          1HA       GLY  34  11.624   4.757  -4.331
  246   2HA   GLY  34          2HA       GLY  34  10.688   3.932  -5.602
  247    H    TYR  36           H        TYR  36   9.518   6.112  -4.873
  248    HA   TYR  36           HA       TYR  36   7.618   7.064  -4.104
  249   1HB   TYR  36          1HB       TYR  36   6.706   4.265  -3.226
  250   2HB   TYR  36          2HB       TYR  36   5.691   5.667  -3.350
  251    HD1  TYR  36           HD1      TYR  36   5.409   6.801  -5.632
  252    HD2  TYR  36           HD2      TYR  36   7.170   2.942  -5.165
  253    HE1  TYR  36           HE1      TYR  36   4.955   6.291  -7.996
  254    HE2  TYR  36           HE2      TYR  36   6.681   2.423  -7.508
  255    HH   TYR  36           HH       TYR  36   4.738   3.502  -9.272
  256    H    ILE  37           H        ILE  37   9.286   7.892  -2.761
  257    HA   ILE  37           HA       ILE  37   9.444   6.963   0.012
  258    HB   ILE  37           HB       ILE  37  10.887   9.182  -1.498
  259   1HG1  ILE  37          1HG1      ILE  37  12.003   6.445  -0.767
  260   2HG1  ILE  37          2HG1      ILE  37  11.313   6.779  -2.323
  261   1HG2  ILE  37          1HG2      ILE  37  10.934   9.604   0.948
  262   2HG2  ILE  37          2HG2      ILE  37  11.556   7.983   1.235
  263   3HG2  ILE  37          3HG2      ILE  37  12.528   9.179   0.381
  264   1HD1  ILE  37          1HD1      ILE  37  12.969   8.609  -2.725
  265   2HD1  ILE  37          2HD1      ILE  37  13.751   8.225  -1.193
  266   3HD1  ILE  37          3HD1      ILE  37  13.723   7.038  -2.488
  267    HA   PRO  38           HA       PRO  38   6.063   9.874   0.920
  268   1HB   PRO  38          1HB       PRO  38   7.188   9.623   3.721
  269   2HB   PRO  38          2HB       PRO  38   5.514   9.498   3.206
  270   1HG   PRO  38          1HG       PRO  38   7.041   7.279   3.801
  271   2HG   PRO  38          2HG       PRO  38   5.826   7.235   2.542
  272   1HD   PRO  38          1HD       PRO  38   8.788   7.319   2.203
  273   2HD   PRO  38          2HD       PRO  38   7.532   6.690   1.113
  274    H    SER  39           H        SER  39   9.380  10.357   2.132
  275    HA   SER  39           HA       SER  39   9.181  12.951   3.004
  276   1HB   SER  39          1HB       SER  39  11.651  11.839   1.592
  277   2HB   SER  39          2HB       SER  39  11.560  12.797   3.079
  278    HG   SER  39           HG       SER  39  11.871  10.533   3.571
  279    H    LYS  40           H        LYS  40   8.857  11.857  -0.205
  280    HA   LYS  40           HA       LYS  40   9.752  14.444  -1.384
  281   1HB   LYS  40          1HB       LYS  40   9.148  11.699  -2.633
  282   2HB   LYS  40          2HB       LYS  40   9.681  13.099  -3.518
  283   1HG   LYS  40          1HG       LYS  40  11.815  13.111  -2.114
  284   2HG   LYS  40          2HG       LYS  40  11.259  11.641  -1.329
  285   1HD   LYS  40          1HD       LYS  40  12.799  10.965  -2.994
  286   2HD   LYS  40          2HD       LYS  40  11.220  10.477  -3.557
  287   1HE   LYS  40          1HE       LYS  40  11.150  12.449  -5.103
  288   2HE   LYS  40          2HE       LYS  40  12.678  13.028  -4.453
  289   1HZ   LYS  40          1HZ       LYS  40  13.745  11.060  -5.294
  290   2HZ   LYS  40          2HZ       LYS  40  12.273  10.506  -5.927
  291   3HZ   LYS  40          3HZ       LYS  40  12.970  11.931  -6.524
  292    H    PHE  41           H        PHE  41   6.984  13.240  -0.076
  293    HA   PHE  41           HA       PHE  41   5.318  14.415  -2.247
  294   1HB   PHE  41          1HB       PHE  41   4.705  12.069  -0.410
  295   2HB   PHE  41          2HB       PHE  41   3.546  12.827  -1.473
  296    HD1  PHE  41           HD1      PHE  41   3.914  12.842  -3.959
  297    HD2  PHE  41           HD2      PHE  41   6.367  10.566  -1.323
  298    HE1  PHE  41           HE1      PHE  41   4.612  11.414  -5.838
  299    HE2  PHE  41           HE2      PHE  41   7.086   9.161  -3.187
  300    HZ   PHE  41           HZ       PHE  41   6.212   9.575  -5.470
  301    HA   PRO  42           HA       PRO  42   3.746  16.865   1.284
  302   1HB   PRO  42          1HB       PRO  42   2.699  18.917  -0.247
  303   2HB   PRO  42          2HB       PRO  42   4.385  18.845   0.234
  304   1HG   PRO  42          1HG       PRO  42   3.212  18.032  -2.423
  305   2HG   PRO  42          2HG       PRO  42   4.661  18.987  -2.138
  306   1HD   PRO  42          1HD       PRO  42   4.712  16.283  -2.698
  307   2HD   PRO  42          2HD       PRO  42   5.950  17.027  -1.677
  308    H    ASN  43           H        ASN  43   2.643  15.110  -1.343
  309    HA   ASN  43           HA       ASN  43  -0.200  15.517  -1.094
  310   1HB   ASN  43          1HB       ASN  43   1.085  14.630  -3.146
  311   2HB   ASN  43          2HB       ASN  43   1.418  13.152  -2.269
  312   1HD2  ASN  43          1HD2      ASN  43  -1.378  12.508  -4.535
  313   2HD2  ASN  43          2HD2      ASN  43   0.286  12.944  -4.684
  314    H    LYS  44           H        LYS  44  -1.617  13.627  -0.329
  315    HA   LYS  44           HA       LYS  44  -0.503  12.663   2.243
  316   1HB   LYS  44          1HB       LYS  44  -2.622  12.634   3.056
  317   2HB   LYS  44          2HB       LYS  44  -2.880  13.821   1.828
  318   1HG   LYS  44          1HG       LYS  44  -3.630  10.849   1.651
  319   2HG   LYS  44          2HG       LYS  44  -4.709  12.131   2.044
  320   1HD   LYS  44          1HD       LYS  44  -4.667  13.020  -0.173
  321   2HD   LYS  44          2HD       LYS  44  -3.273  12.088  -0.638
  322   1HE   LYS  44          1HE       LYS  44  -5.618  11.272  -1.456
  323   2HE   LYS  44          2HE       LYS  44  -4.484  10.070  -0.881
  324   1HZ   LYS  44          1HZ       LYS  44  -6.493  11.153   0.959
  325   2HZ   LYS  44          2HZ       LYS  44  -6.881   9.943  -0.129
  326   3HZ   LYS  44          3HZ       LYS  44  -5.654   9.672   0.987
  327    H    ASN  45           H        ASN  45  -0.195  11.605  -0.712
  328    HA   ASN  45           HA       ASN  45  -1.430   9.186  -0.948
  329   1HB   ASN  45          1HB       ASN  45   0.165   8.530  -2.669
  330   2HB   ASN  45          2HB       ASN  45  -0.359  10.192  -2.870
  331   1HD2  ASN  45          1HD2      ASN  45   3.324  10.017  -3.453
  332   2HD2  ASN  45          2HD2      ASN  45   1.988   9.255  -4.201
  333    H    LEU  46           H        LEU  46   2.108   9.171  -0.045
  334    HA   LEU  46           HA       LEU  46   1.619   6.419   0.816
  335   1HB   LEU  46          1HB       LEU  46   4.126   8.106   1.250
  336   2HB   LEU  46          2HB       LEU  46   3.953   6.416   1.611
  337    HG   LEU  46           HG       LEU  46   4.883   6.059  -0.366
  338   1HD1  LEU  46          1HD1      LEU  46   2.544   5.256  -0.825
  339   2HD1  LEU  46          2HD1      LEU  46   2.214   6.781  -1.646
  340   3HD1  LEU  46          3HD1      LEU  46   3.446   5.691  -2.262
  341   1HD2  LEU  46          1HD2      LEU  46   4.022   8.795  -1.321
  342   2HD2  LEU  46          2HD2      LEU  46   5.608   8.297  -0.737
  343   3HD2  LEU  46          3HD2      LEU  46   4.997   7.661  -2.256
  344    H    LYS  47           H        LYS  47   1.940   5.523   2.831
  345    HA   LYS  47           HA       LYS  47   1.547   7.307   5.111
  346   1HB   LYS  47          1HB       LYS  47  -0.597   6.128   3.862
  347   2HB   LYS  47          2HB       LYS  47  -0.295   4.841   4.900
  348   1HG   LYS  47          1HG       LYS  47  -1.181   6.055   6.720
  349   2HG   LYS  47          2HG       LYS  47  -0.200   7.442   6.371
  350   1HD   LYS  47          1HD       LYS  47  -2.845   6.749   5.073
  351   2HD   LYS  47          2HD       LYS  47  -2.540   8.054   6.187
  352   1HE   LYS  47          1HE       LYS  47  -0.852   8.992   4.406
  353   2HE   LYS  47          2HE       LYS  47  -1.556   7.865   3.280
  354   1HZ   LYS  47          1HZ       LYS  47  -3.720   8.945   3.617
  355   2HZ   LYS  47          2HZ       LYS  47  -2.947  10.093   4.595
  356   3HZ   LYS  47          3HZ       LYS  47  -2.483   9.863   2.974
  357    H    LYS  48           H        LYS  48   0.858   4.675   6.629
  358    HA   LYS  48           HA       LYS  48   3.647   3.872   7.024
  359   1HB   LYS  48          1HB       LYS  48   1.113   2.667   8.286
  360   2HB   LYS  48          2HB       LYS  48   2.730   2.131   8.622
  361   1HG   LYS  48          1HG       LYS  48   1.589   4.873   9.243
  362   2HG   LYS  48          2HG       LYS  48   2.072   3.644  10.372
  363   1HD   LYS  48          1HD       LYS  48   3.864   5.359   8.602
  364   2HD   LYS  48          2HD       LYS  48   3.773   5.381  10.333
  365   1HE   LYS  48          1HE       LYS  48   4.870   3.164  10.498
  366   2HE   LYS  48          2HE       LYS  48   4.806   2.949   8.760
  367   1HZ   LYS  48          1HZ       LYS  48   6.270   4.824   8.482
  368   2HZ   LYS  48          2HZ       LYS  48   6.437   4.964  10.168
  369   3HZ   LYS  48          3HZ       LYS  48   6.954   3.596   9.295
  370    H    ASN  49           H        ASN  49   1.294   1.180   6.755
  371    HA   ASN  49           HA       ASN  49   2.757   0.445   4.234
  372   1HB   ASN  49          1HB       ASN  49   2.550  -1.899   4.944
  373   2HB   ASN  49          2HB       ASN  49   3.379  -0.999   6.205
  374   1HD2  ASN  49          1HD2      ASN  49   0.755  -3.354   7.573
  375   2HD2  ASN  49          2HD2      ASN  49   2.105  -3.488   6.541
  376    H    TYR  50           H        TYR  50  -0.096   1.365   5.474
  377    HA   TYR  50           HA       TYR  50  -2.027  -0.112   4.209
  378   1HB   TYR  50          1HB       TYR  50  -2.088   2.946   4.268
  379   2HB   TYR  50          2HB       TYR  50  -3.475   1.891   4.314
  380    HD1  TYR  50           HD1      TYR  50  -2.276  -0.132   6.430
  381    HD2  TYR  50           HD2      TYR  50  -2.516   4.140   6.252
  382    HE1  TYR  50           HE1      TYR  50  -2.154  -0.037   8.842
  383    HE2  TYR  50           HE2      TYR  50  -2.427   4.241   8.694
  384    HH   TYR  50           HH       TYR  50  -1.526   2.688  10.595
  385    H    CYS  51           H        CYS  51  -2.795  -0.459   2.220
  386    HA   CYS  51           HA       CYS  51  -1.034   0.022   0.092
  387   1HB   CYS  51          1HB       CYS  51  -4.002  -0.669  -0.196
  388   2HB   CYS  51          2HB       CYS  51  -2.720  -1.035  -1.321
  389    H    ARG  52           H        ARG  52  -1.114   1.257  -1.739
  390    HA   ARG  52           HA       ARG  52  -3.025   3.500  -1.839
  391   1HB   ARG  52          1HB       ARG  52   0.059   3.728  -1.781
  392   2HB   ARG  52          2HB       ARG  52  -0.958   5.048  -2.256
  393   1HG   ARG  52          1HG       ARG  52  -1.042   3.763   0.498
  394   2HG   ARG  52          2HG       ARG  52  -0.251   5.242   0.078
  395   1HD   ARG  52          1HD       ARG  52  -3.274   4.716  -0.022
  396   2HD   ARG  52          2HD       ARG  52  -2.408   5.840   1.013
  397    HE   ARG  52           HE       ARG  52  -1.802   7.145  -0.743
  398   1HH1  ARG  52          1HH1      ARG  52  -4.657   5.220  -1.227
  399   2HH1  ARG  52          2HH1      ARG  52  -4.990   5.600  -2.871
  400   1HH2  ARG  52          1HH2      ARG  52  -2.221   7.904  -2.989
  401   2HH2  ARG  52          2HH2      ARG  52  -3.656   7.435  -3.801
  402    H    ASN  53           H        ASN  53  -2.021   4.860  -4.032
  403    HA   ASN  53           HA       ASN  53  -1.299   2.772  -5.900
  404   1HB   ASN  53          1HB       ASN  53  -4.073   3.232  -5.493
  405   2HB   ASN  53          2HB       ASN  53  -3.782   4.257  -6.897
  406   1HD2  ASN  53          1HD2      ASN  53  -4.662   0.963  -8.142
  407   2HD2  ASN  53          2HD2      ASN  53  -5.358   2.052  -6.974
  408    HA   PRO  54           HA       PRO  54   0.407   7.058  -6.276
  409   1HB   PRO  54          1HB       PRO  54   2.837   5.380  -6.949
  410   2HB   PRO  54          2HB       PRO  54   2.779   6.860  -5.996
  411   1HG   PRO  54          1HG       PRO  54   3.040   4.445  -4.783
  412   2HG   PRO  54          2HG       PRO  54   1.972   5.665  -4.091
  413   1HD   PRO  54          1HD       PRO  54   1.167   3.246  -5.712
  414   2HD   PRO  54          2HD       PRO  54   0.412   3.972  -4.293
  415    H    ASP  55           H        ASP  55   0.760   4.281  -8.386
  416    HA   ASP  55           HA       ASP  55   0.921   5.970 -10.830
  417   1HB   ASP  55          1HB       ASP  55   1.859   3.747 -11.807
  418   2HB   ASP  55          2HB       ASP  55   2.869   4.620 -10.675
  419    H    ARG  56           H        ARG  56  -1.259   5.068  -9.100
  420    HA   ARG  56           HA       ARG  56  -3.020   3.812  -8.984
  421   1HB   ARG  56          1HB       ARG  56  -4.918   4.882  -9.622
  422   2HB   ARG  56          2HB       ARG  56  -3.758   5.991  -9.096
  423   1HG   ARG  56          1HG       ARG  56  -3.366   5.795 -11.964
  424   2HG   ARG  56          2HG       ARG  56  -5.077   5.933 -11.674
  425   1HD   ARG  56          1HD       ARG  56  -4.168   8.238 -11.832
  426   2HD   ARG  56          2HD       ARG  56  -4.611   7.939 -10.157
  427    HE   ARG  56           HE       ARG  56  -2.490   7.939  -9.485
  428   1HH1  ARG  56          1HH1      ARG  56  -2.654   7.886 -12.987
  429   2HH1  ARG  56          2HH1      ARG  56  -0.992   8.225 -13.293
  430   1HH2  ARG  56          1HH2      ARG  56  -0.137   8.240  -9.852
  431   2HH2  ARG  56          2HH2      ARG  56   0.435   8.591 -11.426
  432    H    GLU  57           H        GLU  57  -2.121   2.008  -9.558
  433    HA   GLU  57           HA       GLU  57  -2.558   0.475 -11.888
  434   1HB   GLU  57          1HB       GLU  57  -0.941   0.101  -9.928
  435   2HB   GLU  57          2HB       GLU  57  -2.294  -0.219  -8.895
  436   1HG   GLU  57          1HG       GLU  57  -1.154  -2.272  -9.461
  437   2HG   GLU  57          2HG       GLU  57  -2.802  -2.330 -10.021
  438    H    LEU  58           H        LEU  58  -3.988  -1.556 -11.706
  439    HA   LEU  58           HA       LEU  58  -6.686  -0.785 -11.671
  440   1HB   LEU  58          1HB       LEU  58  -5.811  -2.819 -12.813
  441   2HB   LEU  58          2HB       LEU  58  -5.458  -3.569 -11.281
  442    HG   LEU  58           HG       LEU  58  -7.856  -3.646 -10.717
  443   1HD1  LEU  58          1HD1      LEU  58  -8.321  -2.468 -13.499
  444   2HD1  LEU  58          2HD1      LEU  58  -9.577  -3.156 -12.473
  445   3HD1  LEU  58          3HD1      LEU  58  -8.733  -1.706 -11.962
  446   1HD2  LEU  58          1HD2      LEU  58  -6.805  -5.579 -11.847
  447   2HD2  LEU  58          2HD2      LEU  58  -8.493  -5.420 -12.317
  448   3HD2  LEU  58          3HD2      LEU  58  -7.221  -4.904 -13.421
  449    H    ARG  59           H        ARG  59  -4.981  -2.684  -9.249
  450    HA   ARG  59           HA       ARG  59  -7.012  -2.037  -7.175
  451   1HB   ARG  59          1HB       ARG  59  -6.498  -4.463  -7.821
  452   2HB   ARG  59          2HB       ARG  59  -4.852  -4.207  -7.367
  453   1HG   ARG  59          1HG       ARG  59  -5.534  -5.243  -5.480
  454   2HG   ARG  59          2HG       ARG  59  -5.915  -3.683  -4.932
  455   1HD   ARG  59          1HD       ARG  59  -7.886  -5.626  -6.333
  456   2HD   ARG  59          2HD       ARG  59  -7.668  -5.516  -4.601
  457    HE   ARG  59           HE       ARG  59  -8.409  -3.043  -6.073
  458   1HH1  ARG  59          1HH1      ARG  59  -9.473  -5.759  -4.108
  459   2HH1  ARG  59          2HH1      ARG  59 -10.689  -4.905  -3.240
  460   1HH2  ARG  59          1HH2      ARG  59 -10.097  -1.936  -5.162
  461   2HH2  ARG  59          2HH2      ARG  59 -11.202  -2.663  -4.034
  462    HA   PRO  61           HA       PRO  61  -3.578   0.394  -5.369
  463   1HB   PRO  61          1HB       PRO  61  -4.227   0.401  -2.685
  464   2HB   PRO  61          2HB       PRO  61  -5.080   1.380  -3.864
  465   1HG   PRO  61          1HG       PRO  61  -5.845  -1.325  -2.827
  466   2HG   PRO  61          2HG       PRO  61  -6.903   0.101  -2.922
  467   1HD   PRO  61          1HD       PRO  61  -6.951  -1.921  -4.792
  468   2HD   PRO  61          2HD       PRO  61  -7.158  -0.275  -5.332
  469    H    TRP  62           H        TRP  62  -1.631  -0.100  -4.532
  470    HA   TRP  62           HA       TRP  62  -1.225  -2.904  -3.608
  471   1HB   TRP  62          1HB       TRP  62   0.764  -3.007  -5.169
  472   2HB   TRP  62          2HB       TRP  62  -0.709  -2.689  -6.052
  473    HD1  TRP  62           HD1      TRP  62  -1.012  -0.218  -7.162
  474    HE1  TRP  62           HE1      TRP  62   0.676   1.624  -7.689
  475    HE3  TRP  62           HE3      TRP  62   2.858  -1.907  -4.354
  476    HZ2  TRP  62           HZ2      TRP  62   3.313   2.342  -6.827
  477    HZ3  TRP  62           HZ3      TRP  62   4.947  -0.619  -4.187
  478    HH2  TRP  62           HH2      TRP  62   5.179   1.505  -5.422
  479    H    CYS  63           H        CYS  63   1.126  -3.135  -2.906
  480    HA   CYS  63           HA       CYS  63   2.488  -0.826  -1.881
  481   1HB   CYS  63          1HB       CYS  63   2.414  -1.730   0.580
  482   2HB   CYS  63          2HB       CYS  63   1.011  -0.876   0.032
  483    H    PHE  64           H        PHE  64   4.457  -1.566  -0.639
  484    HA   PHE  64           HA       PHE  64   5.629  -3.752  -2.189
  485   1HB   PHE  64          1HB       PHE  64   6.816  -1.900  -0.044
  486   2HB   PHE  64          2HB       PHE  64   7.736  -3.117  -0.904
  487    HD1  PHE  64           HD1      PHE  64   7.509  -3.062  -3.550
  488    HD2  PHE  64           HD2      PHE  64   6.853   0.296  -0.979
  489    HE1  PHE  64           HE1      PHE  64   7.940  -1.512  -5.438
  490    HE2  PHE  64           HE2      PHE  64   7.318   1.818  -2.868
  491    HZ   PHE  64           HZ       PHE  64   7.884   0.890  -5.090
  492    H    THR  65           H        THR  65   6.237  -5.756  -1.338
  493    HA   THR  65           HA       THR  65   4.606  -6.411   1.021
  494    HB   THR  65           HB       THR  65   4.483  -8.536   0.330
  495    HG1  THR  65           HG1      THR  65   6.988  -8.468  -0.929
  496   1HG2  THR  65          1HG2      THR  65   3.739  -7.123  -1.625
  497   2HG2  THR  65          2HG2      THR  65   5.278  -7.401  -2.399
  498   3HG2  THR  65          3HG2      THR  65   4.220  -8.761  -2.052
  499    H    THR  66           H        THR  66   5.644  -8.260   2.471
  500    HA   THR  66           HA       THR  66   8.045  -7.053   3.619
  501    HB   THR  66           HB       THR  66   7.420  -9.122   5.254
  502    HG1  THR  66           HG1      THR  66   4.842  -8.631   4.352
  503   1HG2  THR  66          1HG2      THR  66   5.845  -6.496   5.144
  504   2HG2  THR  66          2HG2      THR  66   5.895  -7.602   6.521
  505   3HG2  THR  66          3HG2      THR  66   7.356  -6.788   5.984
  506    H    ASP  67           H        ASP  67   7.315  -9.446   1.289
  507    HA   ASP  67           HA       ASP  67   9.419 -11.295   2.010
  508   1HB   ASP  67          1HB       ASP  67   7.450 -12.101   0.806
  509   2HB   ASP  67          2HB       ASP  67   7.698 -10.925  -0.467
  510    HA   PRO  68           HA       PRO  68  12.687  -8.774   0.028
  511   1HB   PRO  68          1HB       PRO  68  14.123 -11.422   0.265
  512   2HB   PRO  68          2HB       PRO  68  14.715  -9.820   0.681
  513   1HG   PRO  68          1HG       PRO  68  13.899 -11.544   2.629
  514   2HG   PRO  68          2HG       PRO  68  13.481  -9.836   2.739
  515   1HD   PRO  68          1HD       PRO  68  11.689 -12.101   1.826
  516   2HD   PRO  68          2HD       PRO  68  11.315 -10.713   2.866
  517    H    ASN  69           H        ASN  69  10.962 -11.334  -1.347
  518    HA   ASN  69           HA       ASN  69  12.489 -11.013  -3.919
  519   1HB   ASN  69          1HB       ASN  69  10.811 -13.389  -2.922
  520   2HB   ASN  69          2HB       ASN  69  11.413 -13.230  -4.560
  521   1HD2  ASN  69          1HD2      ASN  69  14.839 -13.294  -2.634
  522   2HD2  ASN  69          2HD2      ASN  69  13.923 -11.847  -2.854
  523    H    LYS  70           H        LYS  70   9.207 -11.270  -2.473
  524    HA   LYS  70           HA       LYS  70   8.129 -10.324  -5.023
  525   1HB   LYS  70          1HB       LYS  70   6.892 -11.938  -3.446
  526   2HB   LYS  70          2HB       LYS  70   6.677 -10.628  -2.348
  527   1HG   LYS  70          1HG       LYS  70   4.670 -10.583  -3.569
  528   2HG   LYS  70          2HG       LYS  70   5.588  -9.319  -4.333
  529   1HD   LYS  70          1HD       LYS  70   6.369 -11.363  -5.955
  530   2HD   LYS  70          2HD       LYS  70   4.930 -12.103  -5.324
  531   1HE   LYS  70          1HE       LYS  70   5.192  -9.648  -7.093
  532   2HE   LYS  70          2HE       LYS  70   4.170 -11.063  -7.303
  533   1HZ   LYS  70          1HZ       LYS  70   2.989 -10.190  -5.232
  534   2HZ   LYS  70          2HZ       LYS  70   3.818  -8.741  -5.564
  535   3HZ   LYS  70          3HZ       LYS  70   2.754  -9.377  -6.701
  536    H    ARG  71           H        ARG  71   8.995  -8.396  -5.357
  537    HA   ARG  71           HA       ARG  71   9.293  -6.299  -3.510
  538   1HB   ARG  71          1HB       ARG  71  10.457  -6.315  -5.619
  539   2HB   ARG  71          2HB       ARG  71   8.989  -6.244  -6.549
  540   1HG   ARG  71          1HG       ARG  71   8.545  -3.948  -5.796
  541   2HG   ARG  71          2HG       ARG  71   9.888  -3.981  -4.689
  542   1HD   ARG  71          1HD       ARG  71  11.486  -3.711  -6.390
  543   2HD   ARG  71          2HD       ARG  71  10.500  -4.543  -7.614
  544    HE   ARG  71           HE       ARG  71   8.955  -2.453  -7.204
  545   1HH1  ARG  71          1HH1      ARG  71  12.413  -2.643  -7.786
  546   2HH1  ARG  71          2HH1      ARG  71  12.497  -1.168  -8.673
  547   1HH2  ARG  71          1HH2      ARG  71   9.003  -0.560  -8.330
  548   2HH2  ARG  71          2HH2      ARG  71  10.458   0.100  -8.967
  549    H    TRP  72           H        TRP  72   6.876  -5.878  -6.149
  550    HA   TRP  72           HA       TRP  72   5.140  -4.565  -4.125
  551   1HB   TRP  72          1HB       TRP  72   4.072  -3.373  -5.915
  552   2HB   TRP  72          2HB       TRP  72   5.775  -3.122  -6.090
  553    HD1  TRP  72           HD1      TRP  72   7.071  -4.658  -8.047
  554    HE1  TRP  72           HE1      TRP  72   6.195  -5.241 -10.380
  555    HE3  TRP  72           HE3      TRP  72   2.136  -3.935  -7.199
  556    HZ2  TRP  72           HZ2      TRP  72   3.661  -5.270 -11.709
  557    HZ3  TRP  72           HZ3      TRP  72   0.501  -4.184  -9.050
  558    HH2  TRP  72           HH2      TRP  72   1.258  -4.800 -11.293
  559    H    GLU  73           H        GLU  73   2.797  -4.830  -4.257
  560    HA   GLU  73           HA       GLU  73   1.771  -6.875  -5.939
  561   1HB   GLU  73          1HB       GLU  73   2.855  -8.251  -3.968
  562   2HB   GLU  73          2HB       GLU  73   1.660  -7.557  -2.952
  563   1HG   GLU  73          1HG       GLU  73  -0.176  -8.572  -4.242
  564   2HG   GLU  73          2HG       GLU  73   0.892  -9.060  -5.528
  565    H    LEU  74           H        LEU  74  -0.401  -7.046  -5.953
  566    HA   LEU  74           HA       LEU  74  -1.824  -4.636  -5.309
  567   1HB   LEU  74          1HB       LEU  74  -2.936  -7.362  -6.211
  568   2HB   LEU  74          2HB       LEU  74  -3.753  -5.836  -6.310
  569    HG   LEU  74           HG       LEU  74  -1.324  -6.638  -7.930
  570   1HD1  LEU  74          1HD1      LEU  74  -3.467  -7.666  -8.649
  571   2HD1  LEU  74          2HD1      LEU  74  -4.207  -6.073  -8.759
  572   3HD1  LEU  74          3HD1      LEU  74  -2.887  -6.507  -9.841
  573   1HD2  LEU  74          1HD2      LEU  74  -2.760  -3.932  -7.866
  574   2HD2  LEU  74          2HD2      LEU  74  -1.075  -4.258  -7.507
  575   3HD2  LEU  74          3HD2      LEU  74  -1.681  -4.457  -9.144
  576    H    CYS  75           H        CYS  75  -3.463  -4.349  -3.820
  577    HA   CYS  75           HA       CYS  75  -3.314  -6.078  -1.465
  578   1HB   CYS  75          1HB       CYS  75  -4.411  -3.291  -1.902
  579   2HB   CYS  75          2HB       CYS  75  -4.519  -4.164  -0.369
  580    H    ASP  76           H        ASP  76  -5.060  -6.458  -0.140
  581    HA   ASP  76           HA       ASP  76  -7.319  -7.600  -1.626
  582   1HB   ASP  76          1HB       ASP  76  -5.561  -8.763  -0.008
  583   2HB   ASP  76          2HB       ASP  76  -6.456  -8.099   1.300
  584    H    ILE  77           H        ILE  77  -8.197  -5.457  -1.788
  585    HA   ILE  77           HA       ILE  77  -9.027  -4.162   0.751
  586    HB   ILE  77           HB       ILE  77  -9.120  -3.155  -2.113
  587   1HG1  ILE  77          1HG1      ILE  77  -6.853  -3.355  -1.571
  588   2HG1  ILE  77          2HG1      ILE  77  -7.290  -1.667  -1.435
  589   1HG2  ILE  77          1HG2      ILE  77 -10.823  -1.971  -0.749
  590   2HG2  ILE  77          2HG2      ILE  77  -9.561  -1.512   0.395
  591   3HG2  ILE  77          3HG2      ILE  77  -9.510  -0.933  -1.266
  592   1HD1  ILE  77          1HD1      ILE  77  -7.394  -1.837   1.035
  593   2HD1  ILE  77          2HD1      ILE  77  -6.880  -3.528   0.943
  594   3HD1  ILE  77          3HD1      ILE  77  -5.802  -2.244   0.418
  595    HA   PRO  78           HA       PRO  78 -13.199  -5.648   0.205
  596   1HB   PRO  78          1HB       PRO  78 -14.524  -3.855   1.902
  597   2HB   PRO  78          2HB       PRO  78 -13.597  -5.248   2.432
  598   1HG   PRO  78          1HG       PRO  78 -12.691  -2.379   2.309
  599   2HG   PRO  78          2HG       PRO  78 -12.405  -3.531   3.610
  600   1HD   PRO  78          1HD       PRO  78 -10.522  -2.943   1.723
  601   2HD   PRO  78          2HD       PRO  78 -10.623  -4.574   2.400
  602    H    ARG  79           H        ARG  79 -14.470  -5.375  -1.406
  603    HA   ARG  79           HA       ARG  79 -14.496  -2.950  -2.954
  604   1HB   ARG  79          1HB       ARG  79 -14.802  -5.321  -3.868
  605   2HB   ARG  79          2HB       ARG  79 -16.350  -5.382  -3.093
  606   1HG   ARG  79          1HG       ARG  79 -16.997  -4.790  -5.242
  607   2HG   ARG  79          2HG       ARG  79 -16.930  -3.221  -4.518
  608   1HD   ARG  79          1HD       ARG  79 -15.815  -3.066  -6.657
  609   2HD   ARG  79          2HD       ARG  79 -14.494  -3.033  -5.468
  610    HE   ARG  79           HE       ARG  79 -14.899  -5.686  -6.008
  611   1HH1  ARG  79          1HH1      ARG  79 -14.102  -2.795  -7.884
  612   2HH1  ARG  79          2HH1      ARG  79 -13.340  -3.628  -9.177
  613   1HH2  ARG  79          1HH2      ARG  79 -13.801  -6.827  -7.719
  614   2HH2  ARG  79          2HH2      ARG  79 -13.116  -5.986  -9.049
  615    H    CYS  80           H        CYS  80 -16.154  -1.368  -3.026
  616    HA   CYS  80           HA       CYS  80 -17.851  -1.156  -0.674
  617   1HB   CYS  80          1HB       CYS  80 -18.050   0.355  -3.326
  618   2HB   CYS  80          2HB       CYS  80 -18.942   0.768  -1.881
  619    H    THR  81           H        THR  81 -19.090  -2.991  -0.502
  620    HA   THR  81           HA       THR  81 -21.603  -2.897  -1.808
  621    HB   THR  81           HB       THR  81 -20.394  -4.006  -3.650
  622    HG1  THR  81           HG1      THR  81 -22.085  -5.691  -2.198
  623   1HG2  THR  81          1HG2      THR  81 -18.478  -4.996  -2.428
  624   2HG2  THR  81          2HG2      THR  81 -19.537  -6.164  -1.652
  625   3HG2  THR  81          3HG2      THR  81 -19.295  -6.213  -3.397
  626    H1   AMH  84           H1       AMH  84   5.747  -1.929  -9.928
  627   1H2   AMH  84          1H2       AMH  84   6.275   0.278 -11.018
  628   2H2   AMH  84          2H2       AMH  84   5.318   1.072  -9.769
  629   1H3   AMH  84          1H3       AMH  84   4.049   0.717 -11.914
  630   2H3   AMH  84          2H3       AMH  84   4.243  -1.023 -11.715
  631    H4   AMH  84           H4       AMH  84   2.741   0.785  -9.775
  632   1H5   AMH  84          1H5       AMH  84   2.260  -1.366  -8.594
  633   2H5   AMH  84          2H5       AMH  84   3.197  -2.206  -9.809
  634   1H6   AMH  84          1H6       AMH  84   4.575  -1.856  -7.731
  635   2H6   AMH  84          2H6       AMH  84   4.369  -0.134  -7.917
  636   1H7   AMH  84          1H7       AMH  84   1.579  -1.584 -11.313
  637   2H7   AMH  84          2H7       AMH  84   0.737  -0.261 -10.486
  638   1HN   AMH  84          1HN       AMH  84   0.616   0.149 -12.728
  639   2HN   AMH  84          2HN       AMH  84   1.743   1.202 -12.185
  640   3HN   AMH  84          3HN       AMH  84   2.201  -0.139 -12.999
  Start of MODEL   10
    1   1H    THR  -4          1H        THR  -4 -12.885   9.155   5.201
    2   2H    THR  -4          2H        THR  -4 -13.623   9.085   6.690
    3   3H    THR  -4          3H        THR  -4 -13.780  10.432   5.743
    4    HA   THR  -4           HA       THR  -4 -11.855  11.275   6.327
    5    HB   THR  -4           HB       THR  -4 -11.380  10.090   8.760
    6    HG1  THR  -4           HG1      THR  -4 -13.310   8.829   9.231
    7   1HG2  THR  -4          1HG2      THR  -4 -12.570  12.307   8.465
    8   2HG2  THR  -4          2HG2      THR  -4 -14.077  11.454   8.147
    9   3HG2  THR  -4          3HG2      THR  -4 -13.310  11.345   9.730
   10    H    SER  -3           H        SER  -3 -11.676   7.913   7.280
   11    HA   SER  -3           HA       SER  -3  -9.208   7.452   5.698
   12   1HB   SER  -3          1HB       SER  -3  -9.824   6.835   8.618
   13   2HB   SER  -3          2HB       SER  -3  -9.062   5.535   7.764
   14    HG   SER  -3           HG       SER  -3  -7.360   6.994   7.226
   15    H    GLU  -2           H        GLU  -2 -10.264   6.674   4.034
   16    HA   GLU  -2           HA       GLU  -2 -12.652   5.091   4.459
   17   1HB   GLU  -2          1HB       GLU  -2 -11.422   5.280   1.720
   18   2HB   GLU  -2          2HB       GLU  -2 -13.091   5.294   2.197
   19   1HG   GLU  -2          1HG       GLU  -2 -11.059   7.556   2.341
   20   2HG   GLU  -2          2HG       GLU  -2 -12.516   7.507   1.398
   21    H    GLU  -1           H        GLU  -1 -12.765   3.083   4.873
   22    HA   GLU  -1           HA       GLU  -1 -10.406   1.383   4.663
   23   1HB   GLU  -1          1HB       GLU  -1 -13.198   0.754   5.788
   24   2HB   GLU  -1          2HB       GLU  -1 -11.833  -0.313   5.884
   25   1HG   GLU  -1          1HG       GLU  -1 -11.954   2.481   7.139
   26   2HG   GLU  -1          2HG       GLU  -1 -12.226   0.975   7.988
   27    H    CYS   1           H        CYS   1 -13.716   1.396   3.252
   28    HA   CYS   1           HA       CYS   1 -12.892  -0.888   1.572
   29   1HB   CYS   1          1HB       CYS   1 -15.257  -1.247   1.120
   30   2HB   CYS   1          2HB       CYS   1 -15.075  -1.077   2.835
   31    H    MET   2           H        MET   2 -13.262  -0.773  -0.703
   32    HA   MET   2           HA       MET   2 -13.271   2.075  -1.701
   33   1HB   MET   2          1HB       MET   2 -11.697  -0.283  -2.889
   34   2HB   MET   2          2HB       MET   2 -11.829   1.313  -3.611
   35   1HG   MET   2          1HG       MET   2 -10.360   0.508  -1.114
   36   2HG   MET   2          2HG       MET   2  -9.736   1.188  -2.580
   37   1HE   MET   2          1HE       MET   2 -10.801   1.378   0.731
   38   2HE   MET   2          2HE       MET   2  -9.722   2.745   1.003
   39   3HE   MET   2          3HE       MET   2 -11.438   2.978   1.091
   40    H    HIS   3           H        HIS   3 -14.041   2.547  -3.597
   41    HA   HIS   3           HA       HIS   3 -16.383   1.201  -4.511
   42   1HB   HIS   3          1HB       HIS   3 -14.652   3.338  -5.921
   43   2HB   HIS   3          2HB       HIS   3 -16.272   2.878  -6.411
   44    HD1  HIS   3           HD1      HIS   3 -14.655   5.329  -4.321
   45    HD2  HIS   3           HD2      HIS   3 -18.238   3.140  -4.156
   46    HE1  HIS   3           HE1      HIS   3 -16.201   6.527  -2.705
   47    H    GLY   4           H        GLY   4 -13.042   1.095  -5.345
   48   1HA   GLY   4          1HA       GLY   4 -12.577  -1.321  -6.218
   49   2HA   GLY   4          2HA       GLY   4 -13.527  -0.791  -7.623
   50    H    SER   5           H        SER   5 -11.257   1.334  -5.868
   51    HA   SER   5           HA       SER   5  -9.313   1.091  -8.105
   52   1HB   SER   5          1HB       SER   5  -9.196   3.635  -8.103
   53   2HB   SER   5          2HB       SER   5 -10.738   2.982  -8.677
   54    HG   SER   5           HG       SER   5 -11.120   4.647  -7.102
   55    H    GLY   6           H        GLY   6  -9.932   2.942  -5.232
   56   1HA   GLY   6          1HA       GLY   6  -8.735   2.876  -3.141
   57   2HA   GLY   6          2HA       GLY   6  -7.437   1.935  -3.906
   58    H    GLU   7           H        GLU   7  -8.650   4.538  -5.678
   59    HA   GLU   7           HA       GLU   7  -6.287   6.011  -5.805
   60   1HB   GLU   7          1HB       GLU   7  -8.203   6.196  -7.400
   61   2HB   GLU   7          2HB       GLU   7  -9.173   6.981  -6.184
   62   1HG   GLU   7          1HG       GLU   7  -8.362   8.657  -7.739
   63   2HG   GLU   7          2HG       GLU   7  -7.589   8.944  -6.199
   64    H    ASN   8           H        ASN   8  -9.021   6.335  -3.666
   65    HA   ASN   8           HA       ASN   8  -7.314   7.977  -1.844
   66   1HB   ASN   8          1HB       ASN   8  -9.380   9.234  -2.696
   67   2HB   ASN   8          2HB       ASN   8 -10.382   8.104  -1.815
   68   1HD2  ASN   8          1HD2      ASN   8  -9.311   9.215   1.508
   69   2HD2  ASN   8          2HD2      ASN   8  -9.908   7.944   0.609
   70    H    TYR   9           H        TYR   9  -6.771   5.428  -1.778
   71    HA   TYR   9           HA       TYR   9  -8.458   4.239   0.335
   72   1HB   TYR   9          1HB       TYR   9  -7.542   2.599  -1.232
   73   2HB   TYR   9          2HB       TYR   9  -5.915   3.228  -1.051
   74    HD1  TYR   9           HD1      TYR   9  -4.778   2.967   1.100
   75    HD2  TYR   9           HD2      TYR   9  -8.480   1.042   0.357
   76    HE1  TYR   9           HE1      TYR   9  -4.426   1.592   3.096
   77    HE2  TYR   9           HE2      TYR   9  -8.219  -0.281   2.399
   78    HH   TYR   9           HH       TYR   9  -5.244  -0.526   4.092
   79    H    ASP  10           H        ASP  10  -8.240   5.027   2.379
   80    HA   ASP  10           HA       ASP  10  -5.528   5.259   3.372
   81   1HB   ASP  10          1HB       ASP  10  -5.800   7.613   4.270
   82   2HB   ASP  10          2HB       ASP  10  -5.612   7.468   2.547
   83    H    GLY  11           H        GLY  11  -7.303   3.235   3.952
   84   1HA   GLY  11          1HA       GLY  11  -8.461   3.870   6.489
   85   2HA   GLY  11          2HA       GLY  11  -8.535   2.406   5.507
   86    H    LYS  12           H        LYS  12  -7.741   0.946   6.681
   87    HA   LYS  12           HA       LYS  12  -5.032   1.194   7.978
   88   1HB   LYS  12          1HB       LYS  12  -7.522   0.028   9.307
   89   2HB   LYS  12          2HB       LYS  12  -5.942   0.030  10.040
   90   1HG   LYS  12          1HG       LYS  12  -7.498   2.548   9.285
   91   2HG   LYS  12          2HG       LYS  12  -7.542   1.839  10.851
   92   1HD   LYS  12          1HD       LYS  12  -4.860   2.676   9.645
   93   2HD   LYS  12          2HD       LYS  12  -5.942   3.852  10.311
   94   1HE   LYS  12          1HE       LYS  12  -4.417   3.273  12.080
   95   2HE   LYS  12          2HE       LYS  12  -5.995   2.636  12.510
   96   1HZ   LYS  12          1HZ       LYS  12  -5.202   0.472  11.626
   97   2HZ   LYS  12          2HZ       LYS  12  -3.662   1.177  11.477
   98   3HZ   LYS  12          3HZ       LYS  12  -4.366   1.045  12.992
   99    H    ILE  13           H        ILE  13  -6.695  -0.713   5.829
  100    HA   ILE  13           HA       ILE  13  -5.764  -3.284   6.839
  101    HB   ILE  13           HB       ILE  13  -6.654  -2.612   4.010
  102   1HG1  ILE  13          1HG1      ILE  13  -8.798  -3.997   5.088
  103   2HG1  ILE  13          2HG1      ILE  13  -8.276  -3.094   6.479
  104   1HG2  ILE  13          1HG2      ILE  13  -6.428  -5.315   5.383
  105   2HG2  ILE  13          2HG2      ILE  13  -7.138  -5.036   3.797
  106   3HG2  ILE  13          3HG2      ILE  13  -5.437  -4.721   4.046
  107   1HD1  ILE  13          1HD1      ILE  13  -8.499  -0.968   5.056
  108   2HD1  ILE  13          2HD1      ILE  13  -9.053  -1.978   3.731
  109   3HD1  ILE  13          3HD1      ILE  13 -10.004  -1.871   5.201
  110    H    SER  14           H        SER  14  -3.968  -4.321   6.320
  111    HA   SER  14           HA       SER  14  -1.901  -3.116   4.550
  112   1HB   SER  14          1HB       SER  14  -1.282  -2.188   6.656
  113   2HB   SER  14          2HB       SER  14  -1.788  -3.560   7.587
  114    HG   SER  14           HG       SER  14   0.074  -4.677   6.747
  115    H    LYS  15           H        LYS  15  -3.560  -5.492   4.041
  116    HA   LYS  15           HA       LYS  15  -1.411  -7.571   4.266
  117   1HB   LYS  15          1HB       LYS  15  -4.376  -7.774   4.883
  118   2HB   LYS  15          2HB       LYS  15  -3.610  -9.117   4.104
  119   1HG   LYS  15          1HG       LYS  15  -3.409  -9.659   6.379
  120   2HG   LYS  15          2HG       LYS  15  -1.820  -9.141   5.905
  121   1HD   LYS  15          1HD       LYS  15  -2.339  -6.862   6.873
  122   2HD   LYS  15          2HD       LYS  15  -3.876  -7.460   7.437
  123   1HE   LYS  15          1HE       LYS  15  -2.758  -8.959   9.031
  124   2HE   LYS  15          2HE       LYS  15  -1.228  -8.803   8.170
  125   1HZ   LYS  15          1HZ       LYS  15  -1.128  -6.522   8.738
  126   2HZ   LYS  15          2HZ       LYS  15  -2.480  -6.662   9.790
  127   3HZ   LYS  15          3HZ       LYS  15  -0.992  -7.511   9.995
  128    H    THR  16           H        THR  16  -0.621  -8.198   2.466
  129    HA   THR  16           HA       THR  16  -1.905  -7.397   0.007
  130    HB   THR  16           HB       THR  16  -0.016  -8.122  -1.147
  131    HG1  THR  16           HG1      THR  16   0.300  -9.929   0.590
  132   1HG2  THR  16          1HG2      THR  16   0.013  -5.959   0.238
  133   2HG2  THR  16          2HG2      THR  16   1.010  -6.830   1.409
  134   3HG2  THR  16          3HG2      THR  16   1.584  -6.529  -0.220
  135    H    MET  17           H        MET  17  -3.096  -8.480  -1.174
  136    HA   MET  17           HA       MET  17  -4.659 -10.515  -0.545
  137   1HB   MET  17          1HB       MET  17  -5.486 -10.356  -2.834
  138   2HB   MET  17          2HB       MET  17  -4.840  -8.811  -2.430
  139   1HG   MET  17          1HG       MET  17  -2.787  -9.256  -3.768
  140   2HG   MET  17          2HG       MET  17  -3.350 -10.863  -4.135
  141   1HE   MET  17          1HE       MET  17  -5.916 -11.237  -5.021
  142   2HE   MET  17          2HE       MET  17  -6.070 -10.583  -6.662
  143   3HE   MET  17          3HE       MET  17  -4.603 -11.462  -6.171
  144    H    SER  18           H        SER  18  -1.666 -10.946  -2.363
  145    HA   SER  18           HA       SER  18  -2.010 -13.902  -2.305
  146   1HB   SER  18          1HB       SER  18  -0.079 -13.515  -4.127
  147   2HB   SER  18          2HB       SER  18  -1.748 -13.107  -4.550
  148    HG   SER  18           HG       SER  18   0.063 -11.323  -4.700
  149    H    GLY  19           H        GLY  19   0.193 -11.251  -1.794
  150   1HA   GLY  19          1HA       GLY  19   2.441 -12.802  -0.981
  151   2HA   GLY  19          2HA       GLY  19   2.275 -11.065  -0.825
  152    H    LEU  20           H        LEU  20   2.257 -10.293   1.326
  153    HA   LEU  20           HA       LEU  20   1.459 -12.118   3.485
  154   1HB   LEU  20          1HB       LEU  20   4.140 -10.598   3.458
  155   2HB   LEU  20          2HB       LEU  20   3.657 -11.832   4.568
  156    HG   LEU  20           HG       LEU  20   3.587 -13.328   2.320
  157   1HD1  LEU  20          1HD1      LEU  20   5.691 -11.184   1.723
  158   2HD1  LEU  20          2HD1      LEU  20   5.527 -12.698   0.836
  159   3HD1  LEU  20          3HD1      LEU  20   4.286 -11.475   0.735
  160   1HD2  LEU  20          1HD2      LEU  20   4.935 -13.817   4.348
  161   2HD2  LEU  20          2HD2      LEU  20   5.779 -14.182   2.849
  162   3HD2  LEU  20          3HD2      LEU  20   6.200 -12.743   3.749
  163    H    GLU  21           H        GLU  21   2.679 -10.387   5.459
  164    HA   GLU  21           HA       GLU  21   0.737  -8.279   5.708
  165   1HB   GLU  21          1HB       GLU  21   1.682  -9.407   7.682
  166   2HB   GLU  21          2HB       GLU  21   3.316  -9.117   7.135
  167   1HG   GLU  21          1HG       GLU  21   3.075  -7.612   8.904
  168   2HG   GLU  21          2HG       GLU  21   2.904  -6.579   7.522
  169    H    CYS  22           H        CYS  22   1.112  -6.072   5.449
  170    HA   CYS  22           HA       CYS  22   3.188  -5.489   3.488
  171   1HB   CYS  22          1HB       CYS  22   0.934  -3.758   4.525
  172   2HB   CYS  22          2HB       CYS  22   2.321  -3.042   3.724
  173    H    GLN  23           H        GLN  23   4.806  -4.365   3.591
  174    HA   GLN  23           HA       GLN  23   6.179  -3.725   6.124
  175   1HB   GLN  23          1HB       GLN  23   7.288  -5.271   4.597
  176   2HB   GLN  23          2HB       GLN  23   6.990  -4.278   3.208
  177   1HG   GLN  23          1HG       GLN  23   8.563  -2.875   5.303
  178   2HG   GLN  23          2HG       GLN  23   9.356  -4.324   4.692
  179   1HE2  GLN  23          1HE2      GLN  23   8.836  -1.038   2.354
  180   2HE2  GLN  23          2HE2      GLN  23   8.210  -1.106   3.926
  181    H    ALA  24           H        ALA  24   6.591  -1.709   6.624
  182    HA   ALA  24           HA       ALA  24   4.796   0.173   5.615
  183   1HB   ALA  24          1HB       ALA  24   5.572   0.102   7.973
  184   2HB   ALA  24          2HB       ALA  24   7.185   0.615   7.478
  185   3HB   ALA  24          3HB       ALA  24   5.813   1.715   7.316
  186    H    TRP  25           H        TRP  25   5.030   2.284   4.765
  187    HA   TRP  25           HA       TRP  25   6.811   2.387   2.531
  188   1HB   TRP  25          1HB       TRP  25   5.075   4.634   3.698
  189   2HB   TRP  25          2HB       TRP  25   5.837   4.641   2.122
  190    HD1  TRP  25           HD1      TRP  25   2.742   3.334   3.940
  191    HE1  TRP  25           HE1      TRP  25   1.160   2.288   2.270
  192    HE3  TRP  25           HE3      TRP  25   5.823   3.277  -0.096
  193    HZ2  TRP  25           HZ2      TRP  25   1.207   1.551  -0.473
  194    HZ3  TRP  25           HZ3      TRP  25   4.989   2.430  -2.280
  195    HH2  TRP  25           HH2      TRP  25   2.666   1.569  -2.459
  196    H    ASP  26           H        ASP  26   7.407   3.097   5.863
  197    HA   ASP  26           HA       ASP  26   8.920   5.453   5.463
  198   1HB   ASP  26          1HB       ASP  26   9.138   3.333   7.707
  199   2HB   ASP  26          2HB       ASP  26   9.704   4.984   7.818
  200    H    SER  27           H        SER  27  11.359   4.614   6.863
  201    HA   SER  27           HA       SER  27  12.639   2.861   4.786
  202   1HB   SER  27          1HB       SER  27  13.412   5.263   4.755
  203   2HB   SER  27          2HB       SER  27  13.973   5.082   6.427
  204    HG   SER  27           HG       SER  27  15.687   4.612   4.907
  205    H    GLN  28           H        GLN  28  12.718   0.966   5.631
  206    HA   GLN  28           HA       GLN  28  13.829   0.617   8.327
  207   1HB   GLN  28          1HB       GLN  28  11.675  -1.063   8.653
  208   2HB   GLN  28          2HB       GLN  28  11.802   0.544   9.266
  209   1HG   GLN  28          1HG       GLN  28   9.607   0.267   8.217
  210   2HG   GLN  28          2HG       GLN  28  10.504   1.502   7.361
  211   1HE2  GLN  28          1HE2      GLN  28  10.265  -0.174   4.292
  212   2HE2  GLN  28          2HE2      GLN  28  10.420   1.295   5.083
  213    H    SER  29           H        SER  29  12.150  -1.574   5.910
  214    HA   SER  29           HA       SER  29  14.606  -2.792   5.184
  215   1HB   SER  29          1HB       SER  29  13.840  -5.064   6.476
  216   2HB   SER  29          2HB       SER  29  14.674  -3.815   7.367
  217    HG   SER  29           HG       SER  29  11.866  -3.749   7.260
  218    HA   PRO  30           HA       PRO  30  14.720  -5.447   4.573
  219   1HB   PRO  30          1HB       PRO  30  14.404  -6.071   1.656
  220   2HB   PRO  30          2HB       PRO  30  14.769  -7.161   2.985
  221   1HG   PRO  30          1HG       PRO  30  12.293  -7.119   1.863
  222   2HG   PRO  30          2HG       PRO  30  12.452  -7.275   3.607
  223   1HD   PRO  30          1HD       PRO  30  11.837  -4.740   2.036
  224   2HD   PRO  30          2HD       PRO  30  11.035  -5.343   3.490
  225    H    HIS  31           H        HIS  31  13.887  -2.808   2.479
  226    HA   HIS  31           HA       HIS  31  16.614  -1.904   2.494
  227   1HB   HIS  31          1HB       HIS  31  16.541  -3.458   0.442
  228   2HB   HIS  31          2HB       HIS  31  15.211  -2.519  -0.205
  229    HD1  HIS  31           HD1      HIS  31  15.871  -0.130  -1.201
  230    HD2  HIS  31           HD2      HIS  31  19.067  -2.264   0.507
  231    HE1  HIS  31           HE1      HIS  31  17.994   1.073  -1.839
  232    H    ALA  32           H        ALA  32  16.713   0.310   1.806
  233    HA   ALA  32           HA       ALA  32  14.260   1.766   2.362
  234   1HB   ALA  32          1HB       ALA  32  16.489   2.642   3.103
  235   2HB   ALA  32          2HB       ALA  32  17.030   2.750   1.429
  236   3HB   ALA  32          3HB       ALA  32  15.730   3.792   2.006
  237    H    HIS  33           H        HIS  33  12.999   0.974   0.802
  238    HA   HIS  33           HA       HIS  33  13.430   1.250  -2.058
  239   1HB   HIS  33          1HB       HIS  33  10.907   0.549  -2.083
  240   2HB   HIS  33          2HB       HIS  33  11.938  -0.508  -1.140
  241    HD1  HIS  33           HD1      HIS  33  10.042   2.738  -0.270
  242    HD2  HIS  33           HD2      HIS  33  11.000  -1.055   1.305
  243    HE1  HIS  33           HE1      HIS  33   9.047   2.620   2.008
  244    H    GLY  34           H        GLY  34  11.701   2.472  -3.382
  245   1HA   GLY  34          1HA       GLY  34  11.830   5.287  -2.619
  246   2HA   GLY  34          2HA       GLY  34  11.067   4.603  -4.076
  247    H    TYR  36           H        TYR  36   9.521   6.426  -3.305
  248    HA   TYR  36           HA       TYR  36   7.478   7.058  -2.551
  249   1HB   TYR  36          1HB       TYR  36   6.827   4.127  -1.950
  250   2HB   TYR  36          2HB       TYR  36   5.689   5.402  -2.261
  251    HD1  TYR  36           HD1      TYR  36   8.141   3.097  -3.703
  252    HD2  TYR  36           HD2      TYR  36   5.154   6.001  -4.626
  253    HE1  TYR  36           HE1      TYR  36   8.107   2.297  -5.949
  254    HE2  TYR  36           HE2      TYR  36   5.072   5.149  -6.939
  255    HH   TYR  36           HH       TYR  36   6.902   2.339  -7.982
  256    H    ILE  37           H        ILE  37   8.871   7.929  -0.791
  257    HA   ILE  37           HA       ILE  37   8.472   6.491   1.787
  258    HB   ILE  37           HB       ILE  37  10.642   8.501   1.122
  259   1HG1  ILE  37          1HG1      ILE  37  10.810   5.455   1.100
  260   2HG1  ILE  37          2HG1      ILE  37  10.926   6.488  -0.296
  261   1HG2  ILE  37          1HG2      ILE  37  10.057   8.228   3.580
  262   2HG2  ILE  37          2HG2      ILE  37  10.442   6.520   3.444
  263   3HG2  ILE  37          3HG2      ILE  37  11.693   7.741   3.210
  264   1HD1  ILE  37          1HD1      ILE  37  12.986   7.588   0.704
  265   2HD1  ILE  37          2HD1      ILE  37  12.949   6.365   1.978
  266   3HD1  ILE  37          3HD1      ILE  37  13.179   5.885   0.309
  267    HA   PRO  38           HA       PRO  38   5.696   9.831   2.866
  268   1HB   PRO  38          1HB       PRO  38   6.727   9.343   5.670
  269   2HB   PRO  38          2HB       PRO  38   5.060   9.474   5.127
  270   1HG   PRO  38          1HG       PRO  38   6.240   7.042   5.666
  271   2HG   PRO  38          2HG       PRO  38   5.064   7.217   4.380
  272   1HD   PRO  38          1HD       PRO  38   8.030   6.934   4.114
  273   2HD   PRO  38          2HD       PRO  38   6.734   6.467   2.992
  274    H    SER  39           H        SER  39   9.110   9.915   3.842
  275    HA   SER  39           HA       SER  39   9.236  12.401   4.983
  276   1HB   SER  39          1HB       SER  39  11.349  11.247   3.088
  277   2HB   SER  39          2HB       SER  39  11.601  12.173   4.581
  278    HG   SER  39           HG       SER  39  11.831   9.899   5.008
  279    H    LYS  40           H        LYS  40   8.650  11.589   1.657
  280    HA   LYS  40           HA       LYS  40   9.263  14.385   0.782
  281   1HB   LYS  40          1HB       LYS  40   8.805  11.809  -0.825
  282   2HB   LYS  40          2HB       LYS  40   9.153  13.372  -1.516
  283   1HG   LYS  40          1HG       LYS  40  11.335  13.407  -0.212
  284   2HG   LYS  40          2HG       LYS  40  11.006  11.754   0.300
  285   1HD   LYS  40          1HD       LYS  40  10.957  11.034  -2.098
  286   2HD   LYS  40          2HD       LYS  40  11.270  12.680  -2.597
  287   1HE   LYS  40          1HE       LYS  40  13.464  12.626  -1.314
  288   2HE   LYS  40          2HE       LYS  40  13.163  10.939  -0.923
  289   1HZ   LYS  40          1HZ       LYS  40  13.461  12.061  -3.638
  290   2HZ   LYS  40          2HZ       LYS  40  14.622  11.174  -2.781
  291   3HZ   LYS  40          3HZ       LYS  40  13.177  10.433  -3.266
  292    H    PHE  41           H        PHE  41   6.680  12.699   1.990
  293    HA   PHE  41           HA       PHE  41   4.787  14.172   0.219
  294   1HB   PHE  41          1HB       PHE  41   4.356  11.395   1.388
  295   2HB   PHE  41          2HB       PHE  41   3.182  12.332   0.521
  296    HD1  PHE  41           HD1      PHE  41   6.376  10.539   0.187
  297    HD2  PHE  41           HD2      PHE  41   3.253  12.565  -1.876
  298    HE1  PHE  41           HE1      PHE  41   7.123   9.518  -1.920
  299    HE2  PHE  41           HE2      PHE  41   3.975  11.516  -3.986
  300    HZ   PHE  41           HZ       PHE  41   5.936  10.026  -4.029
  301    HA   PRO  42           HA       PRO  42   3.389  15.407   4.423
  302   1HB   PRO  42          1HB       PRO  42   2.305  17.835   3.640
  303   2HB   PRO  42          2HB       PRO  42   4.002  17.619   4.034
  304   1HG   PRO  42          1HG       PRO  42   2.760  17.683   1.287
  305   2HG   PRO  42          2HG       PRO  42   4.224  18.498   1.823
  306   1HD   PRO  42          1HD       PRO  42   4.229  16.115   0.436
  307   2HD   PRO  42          2HD       PRO  42   5.507  16.488   1.604
  308    H    ASN  43           H        ASN  43   2.191  14.477   1.469
  309    HA   ASN  43           HA       ASN  43  -0.603  14.929   1.776
  310   1HB   ASN  43          1HB       ASN  43   0.717  14.507  -0.391
  311   2HB   ASN  43          2HB       ASN  43   0.930  12.845   0.091
  312   1HD2  ASN  43          1HD2      ASN  43  -2.457  14.089  -1.718
  313   2HD2  ASN  43          2HD2      ASN  43  -1.130  15.151  -1.426
  314    H    LYS  44           H        LYS  44  -2.157  12.973   1.799
  315    HA   LYS  44           HA       LYS  44  -1.442  11.482   4.212
  316   1HB   LYS  44          1HB       LYS  44  -3.630  11.123   4.688
  317   2HB   LYS  44          2HB       LYS  44  -3.664  12.703   3.976
  318   1HG   LYS  44          1HG       LYS  44  -4.493  10.073   2.618
  319   2HG   LYS  44          2HG       LYS  44  -5.550  11.249   3.320
  320   1HD   LYS  44          1HD       LYS  44  -4.793  12.960   1.643
  321   2HD   LYS  44          2HD       LYS  44  -3.742  11.769   0.915
  322   1HE   LYS  44          1HE       LYS  44  -5.905  11.971  -0.330
  323   2HE   LYS  44          2HE       LYS  44  -5.651  10.345   0.284
  324   1HZ   LYS  44          1HZ       LYS  44  -7.337  12.359   1.644
  325   2HZ   LYS  44          2HZ       LYS  44  -7.864  11.143   0.586
  326   3HZ   LYS  44          3HZ       LYS  44  -7.136  10.715   2.031
  327    H    ASN  45           H        ASN  45  -0.708  10.999   1.137
  328    HA   ASN  45           HA       ASN  45  -1.611   8.373   0.689
  329   1HB   ASN  45          1HB       ASN  45  -0.187   8.200  -1.174
  330   2HB   ASN  45          2HB       ASN  45  -0.993   9.758  -1.196
  331   1HD2  ASN  45          1HD2      ASN  45   2.638  10.145  -2.147
  332   2HD2  ASN  45          2HD2      ASN  45   1.300   9.323  -2.827
  333    H    LEU  46           H        LEU  46   1.978   8.472   0.590
  334    HA   LEU  46           HA       LEU  46   1.997   5.996   1.884
  335   1HB   LEU  46          1HB       LEU  46   4.264   8.042   1.732
  336   2HB   LEU  46          2HB       LEU  46   4.451   6.399   2.225
  337    HG   LEU  46           HG       LEU  46   4.890   5.795   0.174
  338   1HD1  LEU  46          1HD1      LEU  46   2.468   5.131  -0.049
  339   2HD1  LEU  46          2HD1      LEU  46   2.151   6.670  -0.851
  340   3HD1  LEU  46          3HD1      LEU  46   3.250   5.510  -1.566
  341   1HD2  LEU  46          1HD2      LEU  46   5.641   8.047  -0.259
  342   2HD2  LEU  46          2HD2      LEU  46   4.918   7.408  -1.733
  343   3HD2  LEU  46          3HD2      LEU  46   4.020   8.555  -0.745
  344    H    LYS  47           H        LYS  47   1.867   5.308   3.793
  345    HA   LYS  47           HA       LYS  47   2.354   7.130   6.038
  346   1HB   LYS  47          1HB       LYS  47  -0.224   6.549   5.246
  347   2HB   LYS  47          2HB       LYS  47  -0.026   5.205   6.247
  348   1HG   LYS  47          1HG       LYS  47  -0.430   6.629   8.047
  349   2HG   LYS  47          2HG       LYS  47   1.072   7.429   7.752
  350   1HD   LYS  47          1HD       LYS  47  -1.699   8.176   6.846
  351   2HD   LYS  47          2HD       LYS  47  -0.593   9.138   7.765
  352   1HE   LYS  47          1HE       LYS  47  -0.413   8.574   4.735
  353   2HE   LYS  47          2HE       LYS  47  -1.044   9.978   5.529
  354   1HZ   LYS  47          1HZ       LYS  47   1.282  10.360   6.365
  355   2HZ   LYS  47          2HZ       LYS  47   1.750   9.196   5.209
  356   3HZ   LYS  47          3HZ       LYS  47   0.974  10.592   4.717
  357    H    LYS  48           H        LYS  48   1.333   4.556   7.630
  358    HA   LYS  48           HA       LYS  48   4.040   3.432   7.798
  359   1HB   LYS  48          1HB       LYS  48   1.463   2.656   9.276
  360   2HB   LYS  48          2HB       LYS  48   2.933   1.743   9.394
  361   1HG   LYS  48          1HG       LYS  48   2.728   3.269  11.247
  362   2HG   LYS  48          2HG       LYS  48   4.221   3.377  10.381
  363   1HD   LYS  48          1HD       LYS  48   1.996   5.383   9.812
  364   2HD   LYS  48          2HD       LYS  48   2.968   5.524  11.239
  365   1HE   LYS  48          1HE       LYS  48   3.991   5.790   8.382
  366   2HE   LYS  48          2HE       LYS  48   3.995   6.970   9.656
  367   1HZ   LYS  48          1HZ       LYS  48   5.678   5.538  10.788
  368   2HZ   LYS  48          2HZ       LYS  48   5.675   4.564   9.384
  369   3HZ   LYS  48          3HZ       LYS  48   6.136   6.105   9.249
  370    H    ASN  49           H        ASN  49   1.674   0.843   7.930
  371    HA   ASN  49           HA       ASN  49   2.755  -0.052   5.288
  372   1HB   ASN  49          1HB       ASN  49   2.383  -2.347   6.184
  373   2HB   ASN  49          2HB       ASN  49   3.598  -1.441   7.076
  374   1HD2  ASN  49          1HD2      ASN  49   1.507  -3.358   9.436
  375   2HD2  ASN  49          2HD2      ASN  49   2.333  -3.721   7.961
  376    H    TYR  50           H        TYR  50   0.278   1.524   6.129
  377    HA   TYR  50           HA       TYR  50  -1.823  -0.225   5.139
  378   1HB   TYR  50          1HB       TYR  50  -1.810   2.838   5.332
  379   2HB   TYR  50          2HB       TYR  50  -3.235   1.820   5.283
  380    HD1  TYR  50           HD1      TYR  50  -2.689  -0.324   7.170
  381    HD2  TYR  50           HD2      TYR  50  -1.642   3.818   7.448
  382    HE1  TYR  50           HE1      TYR  50  -2.623  -0.517   9.595
  383    HE2  TYR  50           HE2      TYR  50  -1.594   3.632   9.898
  384    HH   TYR  50           HH       TYR  50  -1.211   1.520  11.588
  385    H    CYS  51           H        CYS  51  -2.516  -0.503   3.122
  386    HA   CYS  51           HA       CYS  51  -0.893  -0.098   0.937
  387   1HB   CYS  51          1HB       CYS  51  -3.951  -0.266   0.788
  388   2HB   CYS  51          2HB       CYS  51  -2.810  -0.998  -0.307
  389    H    ARG  52           H        ARG  52  -1.451   1.146  -1.139
  390    HA   ARG  52           HA       ARG  52  -3.063   3.531  -1.154
  391   1HB   ARG  52          1HB       ARG  52  -0.071   3.751  -0.641
  392   2HB   ARG  52          2HB       ARG  52  -0.582   4.658  -2.037
  393   1HG   ARG  52          1HG       ARG  52  -0.520   6.071  -0.117
  394   2HG   ARG  52          2HG       ARG  52  -2.093   6.044  -0.896
  395   1HD   ARG  52          1HD       ARG  52  -2.993   4.548   0.757
  396   2HD   ARG  52          2HD       ARG  52  -1.331   4.321   1.463
  397    HE   ARG  52           HE       ARG  52  -2.024   6.991   1.778
  398   1HH1  ARG  52          1HH1      ARG  52  -2.913   3.740   2.678
  399   2HH1  ARG  52          2HH1      ARG  52  -3.513   4.141   4.257
  400   1HH2  ARG  52          1HH2      ARG  52  -2.833   7.622   3.756
  401   2HH2  ARG  52          2HH2      ARG  52  -3.511   6.504   4.893
  402    H    ASN  53           H        ASN  53  -2.332   4.763  -3.243
  403    HA   ASN  53           HA       ASN  53  -2.026   2.782  -5.434
  404   1HB   ASN  53          1HB       ASN  53  -4.200   4.906  -4.948
  405   2HB   ASN  53          2HB       ASN  53  -3.772   4.581  -6.599
  406   1HD2  ASN  53          1HD2      ASN  53  -5.739   1.824  -6.884
  407   2HD2  ASN  53          2HD2      ASN  53  -5.091   3.219  -7.671
  408    HA   PRO  54           HA       PRO  54   0.723   6.618  -5.495
  409   1HB   PRO  54          1HB       PRO  54   2.882   4.669  -6.250
  410   2HB   PRO  54          2HB       PRO  54   2.938   5.994  -5.101
  411   1HG   PRO  54          1HG       PRO  54   2.810   3.402  -4.245
  412   2HG   PRO  54          2HG       PRO  54   1.992   4.697  -3.385
  413   1HD   PRO  54          1HD       PRO  54   0.728   2.698  -5.260
  414   2HD   PRO  54          2HD       PRO  54   0.153   3.357  -3.737
  415    H    ASP  55           H        ASP  55   1.190   3.786  -7.643
  416    HA   ASP  55           HA       ASP  55   1.268   5.529 -10.009
  417   1HB   ASP  55          1HB       ASP  55   2.029   3.432 -11.145
  418   2HB   ASP  55          2HB       ASP  55   3.021   3.800  -9.742
  419    H    ARG  56           H        ARG  56  -1.027   4.353  -8.141
  420    HA   ARG  56           HA       ARG  56  -2.992   3.412  -8.236
  421   1HB   ARG  56          1HB       ARG  56  -4.671   4.853  -9.350
  422   2HB   ARG  56          2HB       ARG  56  -3.586   5.651  -8.307
  423   1HG   ARG  56          1HG       ARG  56  -2.768   5.652 -11.203
  424   2HG   ARG  56          2HG       ARG  56  -4.149   6.612 -10.750
  425   1HD   ARG  56          1HD       ARG  56  -1.417   6.862  -9.397
  426   2HD   ARG  56          2HD       ARG  56  -2.080   7.996 -10.587
  427    HE   ARG  56           HE       ARG  56  -4.075   8.014  -8.825
  428   1HH1  ARG  56          1HH1      ARG  56  -0.592   7.962  -8.025
  429   2HH1  ARG  56          2HH1      ARG  56  -0.793   9.014  -6.687
  430   1HH2  ARG  56          1HH2      ARG  56  -4.299   9.215  -7.046
  431   2HH2  ARG  56          2HH2      ARG  56  -3.002   9.596  -5.968
  432    H    GLU  57           H        GLU  57  -2.375   1.583  -8.846
  433    HA   GLU  57           HA       GLU  57  -2.749   0.399 -11.414
  434   1HB   GLU  57          1HB       GLU  57  -1.940  -1.574 -10.212
  435   2HB   GLU  57          2HB       GLU  57  -1.155  -0.212  -9.478
  436   1HG   GLU  57          1HG       GLU  57  -3.373  -1.907  -8.273
  437   2HG   GLU  57          2HG       GLU  57  -1.787  -1.653  -7.691
  438    H    LEU  58           H        LEU  58  -4.036  -1.959 -10.210
  439    HA   LEU  58           HA       LEU  58  -6.808  -1.230 -10.673
  440   1HB   LEU  58          1HB       LEU  58  -5.652  -3.301 -11.513
  441   2HB   LEU  58          2HB       LEU  58  -5.639  -3.976  -9.921
  442    HG   LEU  58           HG       LEU  58  -8.176  -3.071 -11.360
  443   1HD1  LEU  58          1HD1      LEU  58  -7.043  -4.772 -12.745
  444   2HD1  LEU  58          2HD1      LEU  58  -6.957  -5.866 -11.366
  445   3HD1  LEU  58          3HD1      LEU  58  -8.520  -5.424 -12.050
  446   1HD2  LEU  58          1HD2      LEU  58  -7.802  -4.973  -8.994
  447   2HD2  LEU  58          2HD2      LEU  58  -8.593  -3.394  -8.946
  448   3HD2  LEU  58          3HD2      LEU  58  -9.326  -4.709  -9.831
  449    H    ARG  59           H        ARG  59  -5.258  -3.101  -8.044
  450    HA   ARG  59           HA       ARG  59  -7.177  -1.950  -6.130
  451   1HB   ARG  59          1HB       ARG  59  -7.328  -4.428  -6.826
  452   2HB   ARG  59          2HB       ARG  59  -5.830  -4.731  -6.011
  453   1HG   ARG  59          1HG       ARG  59  -6.929  -4.107  -3.834
  454   2HG   ARG  59          2HG       ARG  59  -8.411  -3.770  -4.716
  455   1HD   ARG  59          1HD       ARG  59  -8.266  -6.253  -5.579
  456   2HD   ARG  59          2HD       ARG  59  -7.022  -6.464  -4.332
  457    HE   ARG  59           HE       ARG  59  -9.452  -5.197  -3.438
  458   1HH1  ARG  59          1HH1      ARG  59  -7.922  -8.306  -4.160
  459   2HH1  ARG  59          2HH1      ARG  59  -8.638  -9.155  -2.828
  460   1HH2  ARG  59          1HH2      ARG  59 -10.654  -6.478  -1.766
  461   2HH2  ARG  59          2HH2      ARG  59 -10.170  -8.107  -1.478
  462    HA   PRO  61           HA       PRO  61  -3.728   0.138  -4.409
  463   1HB   PRO  61          1HB       PRO  61  -4.314   0.075  -1.612
  464   2HB   PRO  61          2HB       PRO  61  -5.022   1.188  -2.725
  465   1HG   PRO  61          1HG       PRO  61  -6.095  -1.424  -1.807
  466   2HG   PRO  61          2HG       PRO  61  -7.000   0.087  -1.956
  467   1HD   PRO  61          1HD       PRO  61  -7.235  -1.885  -3.788
  468   2HD   PRO  61          2HD       PRO  61  -7.110  -0.232  -4.406
  469    H    TRP  62           H        TRP  62  -1.664  -0.267  -3.758
  470    HA   TRP  62           HA       TRP  62  -1.175  -2.930  -2.444
  471   1HB   TRP  62          1HB       TRP  62   0.905  -3.154  -3.810
  472   2HB   TRP  62          2HB       TRP  62  -0.479  -2.946  -4.843
  473    HD1  TRP  62           HD1      TRP  62  -0.722  -0.673  -6.240
  474    HE1  TRP  62           HE1      TRP  62   1.001   1.021  -6.970
  475    HE3  TRP  62           HE3      TRP  62   2.998  -1.943  -3.036
  476    HZ2  TRP  62           HZ2      TRP  62   3.642   1.772  -6.217
  477    HZ3  TRP  62           HZ3      TRP  62   5.102  -0.686  -3.016
  478    HH2  TRP  62           HH2      TRP  62   5.454   1.179  -4.633
  479    H    CYS  63           H        CYS  63   1.065  -3.122  -1.638
  480    HA   CYS  63           HA       CYS  63   2.545  -0.858  -0.779
  481   1HB   CYS  63          1HB       CYS  63   2.424  -1.599   1.763
  482   2HB   CYS  63          2HB       CYS  63   1.232  -0.527   1.115
  483    H    PHE  64           H        PHE  64   4.473  -1.703   0.580
  484    HA   PHE  64           HA       PHE  64   5.482  -3.880  -1.032
  485   1HB   PHE  64          1HB       PHE  64   6.702  -2.410   1.382
  486   2HB   PHE  64          2HB       PHE  64   7.586  -3.531   0.368
  487    HD1  PHE  64           HD1      PHE  64   7.296  -3.033  -2.265
  488    HD2  PHE  64           HD2      PHE  64   7.022  -0.116   0.849
  489    HE1  PHE  64           HE1      PHE  64   7.809  -1.233  -3.888
  490    HE2  PHE  64           HE2      PHE  64   7.606   1.653  -0.788
  491    HZ   PHE  64           HZ       PHE  64   8.034   1.068  -3.128
  492    H    THR  65           H        THR  65   6.355  -5.928  -0.057
  493    HA   THR  65           HA       THR  65   4.609  -6.709   2.265
  494    HB   THR  65           HB       THR  65   4.634  -8.921   1.622
  495    HG1  THR  65           HG1      THR  65   6.749  -8.566  -0.183
  496   1HG2  THR  65          1HG2      THR  65   4.584  -7.459  -1.060
  497   2HG2  THR  65          2HG2      THR  65   4.024  -9.105  -0.776
  498   3HG2  THR  65          3HG2      THR  65   3.245  -7.764   0.041
  499    H    THR  66           H        THR  66   5.627  -8.381   3.760
  500    HA   THR  66           HA       THR  66   8.174  -7.362   4.622
  501    HB   THR  66           HB       THR  66   7.838  -9.338   6.299
  502    HG1  THR  66           HG1      THR  66   6.445 -10.553   4.877
  503   1HG2  THR  66          1HG2      THR  66   5.575  -7.293   5.995
  504   2HG2  THR  66          2HG2      THR  66   5.923  -8.235   7.435
  505   3HG2  THR  66          3HG2      THR  66   7.084  -7.042   6.859
  506    H    ASP  67           H        ASP  67   7.405  -9.527   2.077
  507    HA   ASP  67           HA       ASP  67   9.694 -11.271   2.575
  508   1HB   ASP  67          1HB       ASP  67   7.620 -12.277   1.781
  509   2HB   ASP  67          2HB       ASP  67   7.613 -11.251   0.347
  510    HA   PRO  68           HA       PRO  68  12.199  -8.471   0.147
  511   1HB   PRO  68          1HB       PRO  68  14.545  -9.928   0.003
  512   2HB   PRO  68          2HB       PRO  68  13.945  -9.218   1.492
  513   1HG   PRO  68          1HG       PRO  68  13.596 -12.079   0.573
  514   2HG   PRO  68          2HG       PRO  68  14.139 -11.523   2.155
  515   1HD   PRO  68          1HD       PRO  68  11.524 -12.246   1.652
  516   2HD   PRO  68          2HD       PRO  68  11.909 -10.949   2.803
  517    H    ASN  69           H        ASN  69  10.784 -11.164  -1.184
  518    HA   ASN  69           HA       ASN  69  12.079 -10.607  -3.839
  519   1HB   ASN  69          1HB       ASN  69  10.722 -13.193  -2.876
  520   2HB   ASN  69          2HB       ASN  69  11.236 -12.887  -4.518
  521   1HD2  ASN  69          1HD2      ASN  69  14.737 -12.671  -2.772
  522   2HD2  ASN  69          2HD2      ASN  69  13.676 -11.319  -2.935
  523    H    LYS  70           H        LYS  70   9.015 -11.185  -2.098
  524    HA   LYS  70           HA       LYS  70   7.590 -10.144  -4.462
  525   1HB   LYS  70          1HB       LYS  70   6.668 -11.996  -2.877
  526   2HB   LYS  70          2HB       LYS  70   6.428 -10.775  -1.697
  527   1HG   LYS  70          1HG       LYS  70   4.328 -10.971  -2.825
  528   2HG   LYS  70          2HG       LYS  70   4.988  -9.474  -3.413
  529   1HD   LYS  70          1HD       LYS  70   5.778 -11.822  -5.070
  530   2HD   LYS  70          2HD       LYS  70   4.063 -11.671  -4.947
  531   1HE   LYS  70          1HE       LYS  70   5.905  -9.413  -5.920
  532   2HE   LYS  70          2HE       LYS  70   5.014 -10.520  -6.951
  533   1HZ   LYS  70          1HZ       LYS  70   2.947  -9.658  -5.885
  534   2HZ   LYS  70          2HZ       LYS  70   3.899  -8.475  -5.153
  535   3HZ   LYS  70          3HZ       LYS  70   3.795  -8.533  -6.812
  536    H    ARG  71           H        ARG  71   9.016  -8.297  -4.248
  537    HA   ARG  71           HA       ARG  71   9.146  -6.538  -2.128
  538   1HB   ARG  71          1HB       ARG  71  10.524  -6.451  -4.160
  539   2HB   ARG  71          2HB       ARG  71   9.211  -5.858  -5.116
  540   1HG   ARG  71          1HG       ARG  71   9.918  -4.225  -2.658
  541   2HG   ARG  71          2HG       ARG  71  11.155  -4.302  -3.869
  542   1HD   ARG  71          1HD       ARG  71   8.315  -3.329  -4.390
  543   2HD   ARG  71          2HD       ARG  71   9.782  -2.335  -4.186
  544    HE   ARG  71           HE       ARG  71   9.839  -4.344  -6.308
  545   1HH1  ARG  71          1HH1      ARG  71   9.193  -0.977  -5.414
  546   2HH1  ARG  71          2HH1      ARG  71   8.846  -0.491  -7.038
  547   1HH2  ARG  71          1HH2      ARG  71   9.830  -3.511  -8.514
  548   2HH2  ARG  71          2HH2      ARG  71   9.313  -1.871  -8.745
  549    H    TRP  72           H        TRP  72   7.031  -5.787  -4.936
  550    HA   TRP  72           HA       TRP  72   5.212  -4.348  -3.076
  551   1HB   TRP  72          1HB       TRP  72   4.220  -3.332  -5.058
  552   2HB   TRP  72          2HB       TRP  72   5.924  -3.051  -5.127
  553    HD1  TRP  72           HD1      TRP  72   7.398  -4.556  -6.962
  554    HE1  TRP  72           HE1      TRP  72   6.652  -5.349  -9.263
  555    HE3  TRP  72           HE3      TRP  72   2.380  -4.358  -6.258
  556    HZ2  TRP  72           HZ2      TRP  72   4.202  -5.775 -10.632
  557    HZ3  TRP  72           HZ3      TRP  72   0.842  -4.942  -8.125
  558    HH2  TRP  72           HH2      TRP  72   1.754  -5.544 -10.311
  559    H    GLU  73           H        GLU  73   2.914  -4.838  -2.952
  560    HA   GLU  73           HA       GLU  73   1.921  -6.726  -4.803
  561   1HB   GLU  73          1HB       GLU  73   3.066  -8.296  -3.027
  562   2HB   GLU  73          2HB       GLU  73   1.967  -7.683  -1.884
  563   1HG   GLU  73          1HG       GLU  73   1.069  -9.794  -2.664
  564   2HG   GLU  73          2HG       GLU  73   0.007  -8.595  -3.314
  565    H    LEU  74           H        LEU  74  -0.204  -6.973  -4.875
  566    HA   LEU  74           HA       LEU  74  -1.656  -4.623  -4.056
  567   1HB   LEU  74          1HB       LEU  74  -2.900  -7.196  -5.143
  568   2HB   LEU  74          2HB       LEU  74  -3.588  -5.601  -5.180
  569    HG   LEU  74           HG       LEU  74  -1.237  -6.639  -6.818
  570   1HD1  LEU  74          1HD1      LEU  74  -3.519  -7.182  -7.636
  571   2HD1  LEU  74          2HD1      LEU  74  -3.930  -5.467  -7.647
  572   3HD1  LEU  74          3HD1      LEU  74  -2.688  -6.086  -8.734
  573   1HD2  LEU  74          1HD2      LEU  74  -2.077  -3.737  -6.449
  574   2HD2  LEU  74          2HD2      LEU  74  -0.471  -4.446  -6.328
  575   3HD2  LEU  74          3HD2      LEU  74  -1.251  -4.288  -7.890
  576    H    CYS  75           H        CYS  75  -3.219  -4.351  -2.572
  577    HA   CYS  75           HA       CYS  75  -3.337  -6.165  -0.294
  578   1HB   CYS  75          1HB       CYS  75  -4.500  -3.389  -0.718
  579   2HB   CYS  75          2HB       CYS  75  -4.646  -4.319   0.752
  580    H    ASP  76           H        ASP  76  -5.138  -7.026   0.649
  581    HA   ASP  76           HA       ASP  76  -7.367  -7.280  -1.281
  582   1HB   ASP  76          1HB       ASP  76  -6.403  -9.401  -0.168
  583   2HB   ASP  76          2HB       ASP  76  -7.231  -8.927   1.283
  584    H    ILE  77           H        ILE  77  -8.329  -5.395  -1.092
  585    HA   ILE  77           HA       ILE  77  -9.065  -4.394   1.591
  586    HB   ILE  77           HB       ILE  77  -9.363  -3.096  -1.157
  587   1HG1  ILE  77          1HG1      ILE  77  -7.068  -3.118  -0.821
  588   2HG1  ILE  77          2HG1      ILE  77  -7.560  -1.548  -0.273
  589   1HG2  ILE  77          1HG2      ILE  77  -9.776  -1.809   1.568
  590   2HG2  ILE  77          2HG2      ILE  77  -9.737  -0.978   0.052
  591   3HG2  ILE  77          3HG2      ILE  77 -11.037  -2.104   0.367
  592   1HD1  ILE  77          1HD1      ILE  77  -7.550  -2.419   2.108
  593   2HD1  ILE  77          2HD1      ILE  77  -6.805  -3.897   1.527
  594   3HD1  ILE  77          3HD1      ILE  77  -5.965  -2.362   1.348
  595    HA   PRO  78           HA       PRO  78 -13.273  -5.882   1.060
  596   1HB   PRO  78          1HB       PRO  78 -14.546  -4.077   2.813
  597   2HB   PRO  78          2HB       PRO  78 -13.707  -5.542   3.289
  598   1HG   PRO  78          1HG       PRO  78 -12.640  -2.725   3.322
  599   2HG   PRO  78          2HG       PRO  78 -12.395  -3.968   4.550
  600   1HD   PRO  78          1HD       PRO  78 -10.503  -3.369   2.733
  601   2HD   PRO  78          2HD       PRO  78 -10.706  -5.037   3.271
  602    H    ARG  79           H        ARG  79 -14.667  -5.509  -0.503
  603    HA   ARG  79           HA       ARG  79 -14.575  -3.012  -1.975
  604   1HB   ARG  79          1HB       ARG  79 -15.106  -5.440  -2.871
  605   2HB   ARG  79          2HB       ARG  79 -16.679  -5.249  -2.168
  606   1HG   ARG  79          1HG       ARG  79 -17.007  -4.618  -4.408
  607   2HG   ARG  79          2HG       ARG  79 -16.862  -3.073  -3.610
  608   1HD   ARG  79          1HD       ARG  79 -14.380  -3.040  -4.246
  609   2HD   ARG  79          2HD       ARG  79 -14.643  -4.489  -5.213
  610    HE   ARG  79           HE       ARG  79 -15.453  -1.759  -5.718
  611   1HH1  ARG  79          1HH1      ARG  79 -16.153  -5.101  -6.506
  612   2HH1  ARG  79          2HH1      ARG  79 -16.864  -4.769  -8.040
  613   1HH2  ARG  79          1HH2      ARG  79 -16.333  -1.264  -7.656
  614   2HH2  ARG  79          2HH2      ARG  79 -16.997  -2.444  -8.741
  615    H    CYS  80           H        CYS  80 -16.155  -1.331  -1.932
  616    HA   CYS  80           HA       CYS  80 -17.805  -1.237   0.491
  617   1HB   CYS  80          1HB       CYS  80 -17.745   0.647  -1.918
  618   2HB   CYS  80          2HB       CYS  80 -18.651   0.934  -0.452
  619    H    THR  81           H        THR  81 -18.889  -3.274  -0.051
  620    HA   THR  81           HA       THR  81 -21.406  -2.779  -1.528
  621    HB   THR  81           HB       THR  81 -21.090  -5.195  -2.460
  622    HG1  THR  81           HG1      THR  81 -19.294  -5.566  -0.921
  623   1HG2  THR  81          1HG2      THR  81 -19.027  -3.154  -3.418
  624   2HG2  THR  81          2HG2      THR  81 -19.564  -4.572  -4.303
  625   3HG2  THR  81          3HG2      THR  81 -20.692  -3.255  -3.969
  626    H1   AMH  84           H1       AMH  84   6.259  -1.586  -9.553
  627   1H2   AMH  84          1H2       AMH  84   5.840   0.781 -10.420
  628   2H2   AMH  84          2H2       AMH  84   4.955   1.101  -8.903
  629   1H3   AMH  84          1H3       AMH  84   3.496   0.408 -10.893
  630   2H3   AMH  84          2H3       AMH  84   4.272  -1.163 -10.812
  631    H4   AMH  84           H4       AMH  84   2.714   0.128  -8.523
  632   1H5   AMH  84          1H5       AMH  84   3.194  -2.009  -7.341
  633   2H5   AMH  84          2H5       AMH  84   3.955  -2.620  -8.807
  634   1H6   AMH  84          1H6       AMH  84   5.746  -2.062  -7.250
  635   2H6   AMH  84          2H6       AMH  84   5.077  -0.479  -6.980
  636   1H7   AMH  84          1H7       AMH  84   1.272  -0.668 -10.333
  637   2H7   AMH  84          2H7       AMH  84   2.159  -2.217 -10.421
  638   1HN   AMH  84          1HN       AMH  84   1.464  -2.425  -8.002
  639   2HN   AMH  84          2HN       AMH  84   0.402  -1.242  -8.348
  640   3HN   AMH  84          3HN       AMH  84   0.341  -2.647  -9.162
  Start of MODEL   11
    1   1H    THR  -4          1H        THR  -4 -17.483   3.268   7.831
    2   2H    THR  -4          2H        THR  -4 -17.770   3.640   9.434
    3   3H    THR  -4          3H        THR  -4 -18.829   4.141   8.260
    4    HA   THR  -4           HA       THR  -4 -17.786   5.990   8.176
    5    HB   THR  -4           HB       THR  -4 -15.279   4.827   9.498
    6    HG1  THR  -4           HG1      THR  -4 -16.577   4.584  11.459
    7   1HG2  THR  -4          1HG2      THR  -4 -15.628   7.335   9.307
    8   2HG2  THR  -4          2HG2      THR  -4 -17.069   7.198  10.309
    9   3HG2  THR  -4          3HG2      THR  -4 -15.480   6.827  10.976
   10    H    SER  -3           H        SER  -3 -15.465   6.790   7.166
   11    HA   SER  -3           HA       SER  -3 -15.075   5.095   4.817
   12   1HB   SER  -3          1HB       SER  -3 -14.950   7.646   4.752
   13   2HB   SER  -3          2HB       SER  -3 -13.479   7.590   5.699
   14    HG   SER  -3           HG       SER  -3 -12.479   7.098   3.750
   15    H    GLU  -2           H        GLU  -2 -12.540   5.114   4.287
   16    HA   GLU  -2           HA       GLU  -2 -10.598   3.989   4.569
   17   1HB   GLU  -2          1HB       GLU  -2 -10.779   4.931   7.487
   18   2HB   GLU  -2          2HB       GLU  -2  -9.352   4.501   6.600
   19   1HG   GLU  -2          1HG       GLU  -2 -11.117   6.954   6.205
   20   2HG   GLU  -2          2HG       GLU  -2  -9.416   6.923   6.609
   21    H    GLU  -1           H        GLU  -1 -12.497   2.375   4.459
   22    HA   GLU  -1           HA       GLU  -1 -11.477   0.126   6.006
   23   1HB   GLU  -1          1HB       GLU  -1 -13.557   1.314   7.226
   24   2HB   GLU  -1          2HB       GLU  -1 -14.542   0.556   6.032
   25   1HG   GLU  -1          1HG       GLU  -1 -14.597  -0.983   7.837
   26   2HG   GLU  -1          2HG       GLU  -1 -13.380  -1.710   6.799
   27    H    CYS   1           H        CYS   1 -14.306   0.951   4.026
   28    HA   CYS   1           HA       CYS   1 -13.462  -1.176   2.132
   29   1HB   CYS   1          1HB       CYS   1 -15.704  -1.518   1.448
   30   2HB   CYS   1          2HB       CYS   1 -15.770  -1.499   3.176
   31    H    MET   2           H        MET   2 -13.492  -0.734  -0.034
   32    HA   MET   2           HA       MET   2 -13.695   2.105  -0.908
   33   1HB   MET   2          1HB       MET   2 -11.381   0.112  -1.254
   34   2HB   MET   2          2HB       MET   2 -11.673   1.308  -2.493
   35   1HG   MET   2          1HG       MET   2  -9.900   1.873  -0.755
   36   2HG   MET   2          2HG       MET   2 -11.001   3.115  -1.284
   37   1HE   MET   2          1HE       MET   2  -9.733   0.888   1.477
   38   2HE   MET   2          2HE       MET   2 -10.738   1.232   2.882
   39   3HE   MET   2          3HE       MET   2 -11.348   0.211   1.567
   40    H    HIS   3           H        HIS   3 -13.961   2.275  -3.153
   41    HA   HIS   3           HA       HIS   3 -15.750   0.241  -4.193
   42   1HB   HIS   3          1HB       HIS   3 -14.540   2.731  -5.537
   43   2HB   HIS   3          2HB       HIS   3 -15.777   1.713  -6.255
   44    HD1  HIS   3           HD1      HIS   3 -17.915   1.321  -4.314
   45    HD2  HIS   3           HD2      HIS   3 -15.643   4.857  -4.294
   46    HE1  HIS   3           HE1      HIS   3 -19.269   3.081  -3.089
   47    H    GLY   4           H        GLY   4 -12.351   1.124  -4.705
   48   1HA   GLY   4          1HA       GLY   4 -11.872  -1.529  -5.760
   49   2HA   GLY   4          2HA       GLY   4 -11.923  -0.339  -7.073
   50    H    SER   5           H        SER   5 -10.367   1.726  -6.618
   51    HA   SER   5           HA       SER   5  -7.780   0.501  -6.314
   52   1HB   SER   5          1HB       SER   5  -7.217   2.816  -7.381
   53   2HB   SER   5          2HB       SER   5  -8.248   1.723  -8.310
   54    HG   SER   5           HG       SER   5  -9.195   3.875  -8.108
   55    H    GLY   6           H        GLY   6  -9.751   2.542  -4.337
   56   1HA   GLY   6          1HA       GLY   6  -9.196   3.652  -2.341
   57   2HA   GLY   6          2HA       GLY   6  -7.853   2.496  -2.243
   58    H    GLU   7           H        GLU   7  -8.537   4.987  -4.595
   59    HA   GLU   7           HA       GLU   7  -5.991   5.970  -4.945
   60   1HB   GLU   7          1HB       GLU   7  -7.812   6.579  -6.440
   61   2HB   GLU   7          2HB       GLU   7  -8.708   7.344  -5.161
   62   1HG   GLU   7          1HG       GLU   7  -7.848   9.058  -6.592
   63   2HG   GLU   7          2HG       GLU   7  -7.026   9.204  -5.061
   64    H    ASN   8           H        ASN   8  -8.424   7.393  -2.781
   65    HA   ASN   8           HA       ASN   8  -6.231   8.809  -1.317
   66   1HB   ASN   8          1HB       ASN   8  -8.115  10.167  -2.323
   67   2HB   ASN   8          2HB       ASN   8  -9.255   9.339  -1.282
   68   1HD2  ASN   8          1HD2      ASN   8  -8.853  11.930   1.016
   69   2HD2  ASN   8          2HD2      ASN   8  -9.909  11.004   0.016
   70    H    TYR   9           H        TYR   9  -7.224   5.910  -1.038
   71    HA   TYR   9           HA       TYR   9  -8.303   5.849   1.686
   72   1HB   TYR   9          1HB       TYR   9  -9.104   4.036   0.324
   73   2HB   TYR   9          2HB       TYR   9  -7.540   3.808  -0.432
   74    HD1  TYR   9           HD1      TYR   9  -9.164   3.545   2.889
   75    HD2  TYR   9           HD2      TYR   9  -6.161   2.075   0.233
   76    HE1  TYR   9           HE1      TYR   9  -8.585   1.778   4.520
   77    HE2  TYR   9           HE2      TYR   9  -5.518   0.409   1.847
   78    HH   TYR   9           HH       TYR   9  -5.661  -0.171   4.143
   79    H    ASP  10           H        ASP  10  -6.982   6.157   3.367
   80    HA   ASP  10           HA       ASP  10  -4.246   4.928   3.298
   81   1HB   ASP  10          1HB       ASP  10  -4.879   7.640   4.606
   82   2HB   ASP  10          2HB       ASP  10  -3.318   6.866   4.462
   83    H    GLY  11           H        GLY  11  -6.529   3.717   4.255
   84   1HA   GLY  11          1HA       GLY  11  -7.153   4.484   6.924
   85   2HA   GLY  11          2HA       GLY  11  -7.800   3.119   6.041
   86    H    LYS  12           H        LYS  12  -6.691   1.097   6.124
   87    HA   LYS  12           HA       LYS  12  -4.819   0.839   8.401
   88   1HB   LYS  12          1HB       LYS  12  -7.331  -0.790   8.866
   89   2HB   LYS  12          2HB       LYS  12  -6.139  -0.294   9.977
   90   1HG   LYS  12          1HG       LYS  12  -7.102   2.076   9.845
   91   2HG   LYS  12          2HG       LYS  12  -8.241   1.494   8.648
   92   1HD   LYS  12          1HD       LYS  12  -8.821  -0.316  10.548
   93   2HD   LYS  12          2HD       LYS  12  -8.129   0.880  11.603
   94   1HE   LYS  12          1HE       LYS  12 -10.565   1.156  11.474
   95   2HE   LYS  12          2HE       LYS  12  -9.847   2.571  10.711
   96   1HZ   LYS  12          1HZ       LYS  12 -10.670   0.184   9.166
   97   2HZ   LYS  12          2HZ       LYS  12 -11.762   1.290   9.575
   98   3HZ   LYS  12          3HZ       LYS  12 -10.469   1.751   8.576
   99    H    ILE  13           H        ILE  13  -6.651  -0.888   5.849
  100    HA   ILE  13           HA       ILE  13  -5.475  -3.402   6.472
  101    HB   ILE  13           HB       ILE  13  -6.598  -2.506   3.799
  102   1HG1  ILE  13          1HG1      ILE  13  -8.588  -4.088   4.843
  103   2HG1  ILE  13          2HG1      ILE  13  -8.024  -3.343   6.306
  104   1HG2  ILE  13          1HG2      ILE  13  -5.278  -4.570   3.591
  105   2HG2  ILE  13          2HG2      ILE  13  -6.215  -5.316   4.890
  106   3HG2  ILE  13          3HG2      ILE  13  -6.980  -4.908   3.366
  107   1HD1  ILE  13          1HD1      ILE  13  -8.928  -1.839   3.776
  108   2HD1  ILE  13          2HD1      ILE  13  -9.941  -2.148   5.175
  109   3HD1  ILE  13          3HD1      ILE  13  -8.552  -1.081   5.321
  110    H    SER  14           H        SER  14  -3.713  -4.163   5.955
  111    HA   SER  14           HA       SER  14  -1.733  -3.069   4.068
  112   1HB   SER  14          1HB       SER  14  -0.927  -1.974   6.003
  113   2HB   SER  14          2HB       SER  14  -1.596  -3.095   7.121
  114    HG   SER  14           HG       SER  14   0.118  -4.539   6.586
  115    H    LYS  15           H        LYS  15  -3.329  -5.300   3.565
  116    HA   LYS  15           HA       LYS  15  -1.397  -7.504   3.982
  117   1HB   LYS  15          1HB       LYS  15  -4.440  -7.698   4.361
  118   2HB   LYS  15          2HB       LYS  15  -3.314  -9.017   4.342
  119   1HG   LYS  15          1HG       LYS  15  -3.286  -8.746   6.623
  120   2HG   LYS  15          2HG       LYS  15  -2.071  -7.581   6.258
  121   1HD   LYS  15          1HD       LYS  15  -4.438  -6.067   6.027
  122   2HD   LYS  15          2HD       LYS  15  -4.869  -7.200   7.267
  123   1HE   LYS  15          1HE       LYS  15  -2.497  -5.273   7.269
  124   2HE   LYS  15          2HE       LYS  15  -3.912  -5.130   8.288
  125   1HZ   LYS  15          1HZ       LYS  15  -2.075  -7.429   8.383
  126   2HZ   LYS  15          2HZ       LYS  15  -1.690  -6.045   9.091
  127   3HZ   LYS  15          3HZ       LYS  15  -3.102  -6.880   9.636
  128    H    THR  16           H        THR  16  -0.774  -8.332   2.158
  129    HA   THR  16           HA       THR  16  -2.045  -7.406  -0.221
  130    HB   THR  16           HB       THR  16  -0.194  -8.067  -1.405
  131    HG1  THR  16           HG1      THR  16   0.434 -10.099  -0.758
  132   1HG2  THR  16          1HG2      THR  16   0.160  -6.136   0.085
  133   2HG2  THR  16          2HG2      THR  16   0.828  -7.185   1.337
  134   3HG2  THR  16          3HG2      THR  16   1.659  -6.997  -0.181
  135    H    MET  17           H        MET  17  -3.084  -8.408  -1.650
  136    HA   MET  17           HA       MET  17  -5.037 -10.091  -1.013
  137   1HB   MET  17          1HB       MET  17  -5.766  -9.900  -3.263
  138   2HB   MET  17          2HB       MET  17  -4.768  -8.513  -3.038
  139   1HG   MET  17          1HG       MET  17  -3.952 -11.116  -4.487
  140   2HG   MET  17          2HG       MET  17  -4.453  -9.650  -5.261
  141   1HE   MET  17          1HE       MET  17  -2.361 -10.752  -6.382
  142   2HE   MET  17          2HE       MET  17  -1.951  -9.051  -6.727
  143   3HE   MET  17          3HE       MET  17  -0.743 -10.163  -6.060
  144    H    SER  18           H        SER  18  -1.906 -11.101  -2.336
  145    HA   SER  18           HA       SER  18  -2.757 -13.945  -1.984
  146   1HB   SER  18          1HB       SER  18  -1.158 -14.292  -4.045
  147   2HB   SER  18          2HB       SER  18  -2.695 -13.529  -4.360
  148    HG   SER  18           HG       SER  18  -0.431 -11.935  -3.828
  149    H    GLY  19           H        GLY  19  -1.290 -12.136  -0.009
  150   1HA   GLY  19          1HA       GLY  19   0.952 -14.043   0.197
  151   2HA   GLY  19          2HA       GLY  19   1.454 -12.455  -0.364
  152    H    LEU  20           H        LEU  20   1.328 -10.654   1.174
  153    HA   LEU  20           HA       LEU  20   1.788 -11.762   3.927
  154   1HB   LEU  20          1HB       LEU  20   3.506  -9.922   2.183
  155   2HB   LEU  20          2HB       LEU  20   3.994 -10.453   3.765
  156    HG   LEU  20           HG       LEU  20   3.541 -12.411   1.474
  157   1HD1  LEU  20          1HD1      LEU  20   6.131 -11.014   2.190
  158   2HD1  LEU  20          2HD1      LEU  20   5.950 -12.372   1.074
  159   3HD1  LEU  20          3HD1      LEU  20   5.208 -10.831   0.705
  160   1HD2  LEU  20          1HD2      LEU  20   3.549 -13.410   3.750
  161   2HD2  LEU  20          2HD2      LEU  20   4.964 -13.900   2.828
  162   3HD2  LEU  20          3HD2      LEU  20   5.115 -12.665   4.075
  163    H    GLU  21           H        GLU  21   2.592 -10.022   5.362
  164    HA   GLU  21           HA       GLU  21   0.666  -7.845   5.511
  165   1HB   GLU  21          1HB       GLU  21   1.589  -9.113   7.517
  166   2HB   GLU  21          2HB       GLU  21   3.179  -8.481   7.174
  167   1HG   GLU  21          1HG       GLU  21   2.258  -7.136   8.954
  168   2HG   GLU  21          2HG       GLU  21   2.245  -6.109   7.541
  169    H    CYS  22           H        CYS  22   1.174  -5.668   5.141
  170    HA   CYS  22           HA       CYS  22   3.445  -5.274   3.355
  171   1HB   CYS  22          1HB       CYS  22   1.174  -3.451   4.196
  172   2HB   CYS  22          2HB       CYS  22   2.577  -2.842   3.331
  173    H    GLN  23           H        GLN  23   5.027  -4.023   3.502
  174    HA   GLN  23           HA       GLN  23   6.271  -3.449   6.106
  175   1HB   GLN  23          1HB       GLN  23   7.541  -4.785   4.492
  176   2HB   GLN  23          2HB       GLN  23   7.172  -3.719   3.183
  177   1HG   GLN  23          1HG       GLN  23   8.677  -2.266   5.291
  178   2HG   GLN  23          2HG       GLN  23   9.506  -3.717   4.766
  179   1HE2  GLN  23          1HE2      GLN  23   8.686  -0.693   2.095
  180   2HE2  GLN  23          2HE2      GLN  23   7.774  -0.862   3.498
  181    H    ALA  24           H        ALA  24   6.620  -1.388   6.753
  182    HA   ALA  24           HA       ALA  24   4.852   0.544   5.772
  183   1HB   ALA  24          1HB       ALA  24   7.224   0.785   7.679
  184   2HB   ALA  24          2HB       ALA  24   6.063   2.094   7.429
  185   3HB   ALA  24          3HB       ALA  24   5.535   0.557   8.103
  186    H    TRP  25           H        TRP  25   5.197   2.682   4.979
  187    HA   TRP  25           HA       TRP  25   6.735   2.551   2.555
  188   1HB   TRP  25          1HB       TRP  25   5.105   4.844   3.780
  189   2HB   TRP  25          2HB       TRP  25   5.794   4.874   2.165
  190    HD1  TRP  25           HD1      TRP  25   2.848   3.385   4.103
  191    HE1  TRP  25           HE1      TRP  25   1.255   2.267   2.448
  192    HE3  TRP  25           HE3      TRP  25   5.771   3.558  -0.065
  193    HZ2  TRP  25           HZ2      TRP  25   1.244   1.578  -0.281
  194    HZ3  TRP  25           HZ3      TRP  25   4.905   2.672  -2.216
  195    HH2  TRP  25           HH2      TRP  25   2.631   1.681  -2.318
  196    H    ASP  26           H        ASP  26   8.121   3.128   5.486
  197    HA   ASP  26           HA       ASP  26   9.542   5.556   4.769
  198   1HB   ASP  26          1HB       ASP  26  10.644   5.216   6.979
  199   2HB   ASP  26          2HB       ASP  26   8.913   5.066   7.118
  200    H    SER  27           H        SER  27  11.941   3.912   6.148
  201    HA   SER  27           HA       SER  27  12.854   2.325   3.890
  202   1HB   SER  27          1HB       SER  27  13.651   4.623   3.251
  203   2HB   SER  27          2HB       SER  27  14.359   4.872   4.834
  204    HG   SER  27           HG       SER  27  15.838   3.159   4.296
  205    H    GLN  28           H        GLN  28  13.123   0.578   4.888
  206    HA   GLN  28           HA       GLN  28  14.602   0.507   7.434
  207   1HB   GLN  28          1HB       GLN  28  12.724  -0.885   8.412
  208   2HB   GLN  28          2HB       GLN  28  12.402   0.779   8.145
  209   1HG   GLN  28          1HG       GLN  28  10.905  -1.526   7.065
  210   2HG   GLN  28          2HG       GLN  28  10.417   0.099   7.415
  211   1HE2  GLN  28          1HE2      GLN  28  10.120   1.090   4.136
  212   2HE2  GLN  28          2HE2      GLN  28   9.759   1.332   5.810
  213    H    SER  29           H        SER  29  12.681  -1.899   5.754
  214    HA   SER  29           HA       SER  29  14.673  -3.406   4.550
  215   1HB   SER  29          1HB       SER  29  14.611  -5.355   6.333
  216   2HB   SER  29          2HB       SER  29  15.523  -3.942   6.811
  217    HG   SER  29           HG       SER  29  12.791  -4.109   7.469
  218    HA   PRO  30           HA       PRO  30  14.356  -5.961   3.875
  219   1HB   PRO  30          1HB       PRO  30  12.826  -6.123   1.281
  220   2HB   PRO  30          2HB       PRO  30  13.707  -7.401   2.120
  221   1HG   PRO  30          1HG       PRO  30  11.006  -7.296   2.219
  222   2HG   PRO  30          2HG       PRO  30  11.896  -7.634   3.708
  223   1HD   PRO  30          1HD       PRO  30  10.761  -4.975   2.794
  224   2HD   PRO  30          2HD       PRO  30  10.606  -5.720   4.387
  225    H    HIS  31           H        HIS  31  13.134  -3.019   2.408
  226    HA   HIS  31           HA       HIS  31  15.791  -2.496   1.381
  227   1HB   HIS  31          1HB       HIS  31  14.952  -2.248  -1.080
  228   2HB   HIS  31          2HB       HIS  31  15.116  -3.886  -0.508
  229    HD1  HIS  31           HD1      HIS  31  12.006  -2.187   0.743
  230    HD2  HIS  31           HD2      HIS  31  13.238  -4.596  -2.474
  231    HE1  HIS  31           HE1      HIS  31   9.925  -3.086  -0.351
  232    H    ALA  32           H        ALA  32  16.159  -0.428   0.759
  233    HA   ALA  32           HA       ALA  32  14.238   1.569   1.679
  234   1HB   ALA  32          1HB       ALA  32  16.724   1.836   2.056
  235   2HB   ALA  32          2HB       ALA  32  16.993   1.875   0.315
  236   3HB   ALA  32          3HB       ALA  32  16.093   3.171   1.099
  237    H    HIS  33           H        HIS  33  12.701   0.764   0.200
  238    HA   HIS  33           HA       HIS  33  12.913   0.972  -2.656
  239   1HB   HIS  33          1HB       HIS  33  10.377   0.551  -2.511
  240   2HB   HIS  33          2HB       HIS  33  11.312  -0.557  -1.531
  241    HD1  HIS  33           HD1      HIS  33   9.566   2.820  -0.967
  242    HD2  HIS  33           HD2      HIS  33  10.670  -0.666   1.098
  243    HE1  HIS  33           HE1      HIS  33   8.691   3.044   1.351
  244    H    GLY  34           H        GLY  34  11.216   2.218  -3.909
  245   1HA   GLY  34          1HA       GLY  34  11.601   5.077  -3.403
  246   2HA   GLY  34          2HA       GLY  34  10.760   4.327  -4.784
  247    H    TYR  36           H        TYR  36   9.536   6.459  -3.824
  248    HA   TYR  36           HA       TYR  36   7.563   7.257  -3.089
  249   1HB   TYR  36          1HB       TYR  36   6.533   4.470  -2.392
  250   2HB   TYR  36          2HB       TYR  36   5.598   5.878  -2.802
  251    HD1  TYR  36           HD1      TYR  36   5.790   6.748  -5.290
  252    HD2  TYR  36           HD2      TYR  36   7.176   2.956  -3.949
  253    HE1  TYR  36           HE1      TYR  36   5.741   5.894  -7.605
  254    HE2  TYR  36           HE2      TYR  36   7.129   2.090  -6.187
  255    HH   TYR  36           HH       TYR  36   6.924   2.680  -8.473
  256    H    ILE  37           H        ILE  37   9.203   7.902  -1.435
  257    HA   ILE  37           HA       ILE  37   8.686   6.687   1.227
  258    HB   ILE  37           HB       ILE  37  10.976   8.440   0.257
  259   1HG1  ILE  37          1HG1      ILE  37  10.990   5.467   0.931
  260   2HG1  ILE  37          2HG1      ILE  37  11.006   6.113  -0.683
  261   1HG2  ILE  37          1HG2      ILE  37  10.499   8.767   2.705
  262   2HG2  ILE  37          2HG2      ILE  37  10.683   7.036   2.957
  263   3HG2  ILE  37          3HG2      ILE  37  12.052   8.020   2.445
  264   1HD1  ILE  37          1HD1      ILE  37  13.186   7.299  -0.196
  265   2HD1  ILE  37          2HD1      ILE  37  13.229   6.495   1.376
  266   3HD1  ILE  37          3HD1      ILE  37  13.290   5.546  -0.094
  267    HA   PRO  38           HA       PRO  38   6.058  10.218   1.790
  268   1HB   PRO  38          1HB       PRO  38   6.205  10.306   4.681
  269   2HB   PRO  38          2HB       PRO  38   4.988   9.566   3.685
  270   1HG   PRO  38          1HG       PRO  38   7.266   8.291   5.098
  271   2HG   PRO  38          2HG       PRO  38   5.787   7.531   4.543
  272   1HD   PRO  38          1HD       PRO  38   8.306   7.238   3.353
  273   2HD   PRO  38          2HD       PRO  38   6.776   6.940   2.497
  274    H    SER  39           H        SER  39   9.304  10.222   3.180
  275    HA   SER  39           HA       SER  39   9.400  12.831   4.071
  276   1HB   SER  39          1HB       SER  39  11.729  11.375   2.732
  277   2HB   SER  39          2HB       SER  39  11.755  12.427   4.161
  278    HG   SER  39           HG       SER  39  11.759  10.192   4.814
  279    H    LYS  40           H        LYS  40   9.060  11.734   0.840
  280    HA   LYS  40           HA       LYS  40  10.146  14.277  -0.308
  281   1HB   LYS  40          1HB       LYS  40   9.408  11.538  -1.517
  282   2HB   LYS  40          2HB       LYS  40   9.780  12.929  -2.498
  283   1HG   LYS  40          1HG       LYS  40  11.681  11.498  -2.403
  284   2HG   LYS  40          2HG       LYS  40  12.060  13.059  -1.692
  285   1HD   LYS  40          1HD       LYS  40  12.034  12.126   0.553
  286   2HD   LYS  40          2HD       LYS  40  11.298  10.639   0.004
  287   1HE   LYS  40          1HE       LYS  40  13.708  10.294   0.443
  288   2HE   LYS  40          2HE       LYS  40  13.372  10.057  -1.265
  289   1HZ   LYS  40          1HZ       LYS  40  14.464  12.522  -0.055
  290   2HZ   LYS  40          2HZ       LYS  40  15.338  11.350  -0.916
  291   3HZ   LYS  40          3HZ       LYS  40  14.151  12.272  -1.700
  292    H    PHE  41           H        PHE  41   7.269  13.148   0.929
  293    HA   PHE  41           HA       PHE  41   5.711  14.517  -1.214
  294   1HB   PHE  41          1HB       PHE  41   4.894  12.145   0.503
  295   2HB   PHE  41          2HB       PHE  41   3.830  13.009  -0.568
  296    HD1  PHE  41           HD1      PHE  41   4.250  13.062  -3.036
  297    HD2  PHE  41           HD2      PHE  41   6.539  10.610  -0.402
  298    HE1  PHE  41           HE1      PHE  41   4.958  11.672  -4.938
  299    HE2  PHE  41           HE2      PHE  41   7.272   9.252  -2.284
  300    HZ   PHE  41           HZ       PHE  41   6.486   9.767  -4.584
  301    HA   PRO  42           HA       PRO  42   3.972  16.825   2.304
  302   1HB   PRO  42          1HB       PRO  42   3.260  19.048   0.827
  303   2HB   PRO  42          2HB       PRO  42   4.860  18.835   1.516
  304   1HG   PRO  42          1HG       PRO  42   4.022  18.341  -1.334
  305   2HG   PRO  42          2HG       PRO  42   5.481  19.139  -0.762
  306   1HD   PRO  42          1HD       PRO  42   5.366  16.482  -1.572
  307   2HD   PRO  42          2HD       PRO  42   6.565  17.043  -0.400
  308    H    ASN  43           H        ASN  43   3.213  15.332  -0.620
  309    HA   ASN  43           HA       ASN  43   0.422  15.940  -0.785
  310   1HB   ASN  43          1HB       ASN  43   1.824  15.077  -2.732
  311   2HB   ASN  43          2HB       ASN  43   2.046  13.556  -1.893
  312   1HD2  ASN  43          1HD2      ASN  43  -1.469  14.428  -3.786
  313   2HD2  ASN  43          2HD2      ASN  43  -0.280  15.655  -3.538
  314    H    LYS  44           H        LYS  44  -1.360  14.441  -0.176
  315    HA   LYS  44           HA       LYS  44  -0.666  12.969   2.270
  316   1HB   LYS  44          1HB       LYS  44  -2.641  14.655   1.841
  317   2HB   LYS  44          2HB       LYS  44  -3.476  13.341   1.086
  318   1HG   LYS  44          1HG       LYS  44  -2.367  13.379   3.944
  319   2HG   LYS  44          2HG       LYS  44  -4.005  13.775   3.539
  320   1HD   LYS  44          1HD       LYS  44  -2.744  11.031   3.095
  321   2HD   LYS  44          2HD       LYS  44  -3.692  11.487   4.469
  322   1HE   LYS  44          1HE       LYS  44  -5.507  10.698   3.365
  323   2HE   LYS  44          2HE       LYS  44  -5.458  12.184   2.436
  324   1HZ   LYS  44          1HZ       LYS  44  -4.049  10.967   0.825
  325   2HZ   LYS  44          2HZ       LYS  44  -4.301   9.563   1.716
  326   3HZ   LYS  44          3HZ       LYS  44  -5.617  10.348   1.010
  327    H    ASN  45           H        ASN  45   0.608  11.484   0.858
  328    HA   ASN  45           HA       ASN  45  -1.187   9.352  -0.208
  329   1HB   ASN  45          1HB       ASN  45   0.496   8.650  -1.795
  330   2HB   ASN  45          2HB       ASN  45  -0.049  10.290  -2.090
  331   1HD2  ASN  45          1HD2      ASN  45   3.586  10.278  -2.610
  332   2HD2  ASN  45          2HD2      ASN  45   2.188   9.662  -3.397
  333    H    LEU  46           H        LEU  46   2.308   8.972   0.511
  334    HA   LEU  46           HA       LEU  46   1.702   6.423   1.560
  335   1HB   LEU  46          1HB       LEU  46   4.222   8.085   2.039
  336   2HB   LEU  46          2HB       LEU  46   4.039   6.405   2.410
  337    HG   LEU  46           HG       LEU  46   4.979   6.039   0.440
  338   1HD1  LEU  46          1HD1      LEU  46   2.633   5.279  -0.064
  339   2HD1  LEU  46          2HD1      LEU  46   2.357   6.803  -0.905
  340   3HD1  LEU  46          3HD1      LEU  46   3.586   5.685  -1.474
  341   1HD2  LEU  46          1HD2      LEU  46   5.718   8.308   0.118
  342   2HD2  LEU  46          2HD2      LEU  46   5.194   7.648  -1.422
  343   3HD2  LEU  46          3HD2      LEU  46   4.165   8.779  -0.556
  344    H    LYS  47           H        LYS  47   1.927   5.515   3.616
  345    HA   LYS  47           HA       LYS  47   1.472   7.335   5.834
  346   1HB   LYS  47          1HB       LYS  47  -0.718   6.357   4.517
  347   2HB   LYS  47          2HB       LYS  47  -0.434   4.954   5.421
  348   1HG   LYS  47          1HG       LYS  47  -2.066   6.398   6.579
  349   2HG   LYS  47          2HG       LYS  47  -0.612   6.308   7.536
  350   1HD   LYS  47          1HD       LYS  47  -1.426   8.570   7.560
  351   2HD   LYS  47          2HD       LYS  47   0.089   8.588   6.741
  352   1HE   LYS  47          1HE       LYS  47  -2.672   8.689   5.407
  353   2HE   LYS  47          2HE       LYS  47  -1.621  10.050   5.675
  354   1HZ   LYS  47          1HZ       LYS  47  -0.024   9.123   4.096
  355   2HZ   LYS  47          2HZ       LYS  47  -1.043   7.811   3.830
  356   3HZ   LYS  47          3HZ       LYS  47  -1.600   9.261   3.420
  357    H    LYS  48           H        LYS  48   0.606   4.718   7.323
  358    HA   LYS  48           HA       LYS  48   3.230   4.012   8.169
  359   1HB   LYS  48          1HB       LYS  48   0.619   2.438   8.639
  360   2HB   LYS  48          2HB       LYS  48   2.122   2.234   9.484
  361   1HG   LYS  48          1HG       LYS  48   1.434   5.040   9.651
  362   2HG   LYS  48          2HG       LYS  48  -0.032   4.163   9.944
  363   1HD   LYS  48          1HD       LYS  48   2.627   3.772  11.376
  364   2HD   LYS  48          2HD       LYS  48   1.283   4.682  12.004
  365   1HE   LYS  48          1HE       LYS  48   1.210   1.656  11.434
  366   2HE   LYS  48          2HE       LYS  48   1.461   2.381  13.008
  367   1HZ   LYS  48          1HZ       LYS  48  -0.724   3.394  12.838
  368   2HZ   LYS  48          2HZ       LYS  48  -0.981   2.640  11.355
  369   3HZ   LYS  48          3HZ       LYS  48  -0.785   1.705  12.727
  370    H    ASN  49           H        ASN  49   1.174   1.264   7.354
  371    HA   ASN  49           HA       ASN  49   2.869   0.524   5.035
  372   1HB   ASN  49          1HB       ASN  49   2.699  -1.842   5.904
  373   2HB   ASN  49          2HB       ASN  49   3.615  -0.826   7.000
  374   1HD2  ASN  49          1HD2      ASN  49   1.355  -3.007   8.942
  375   2HD2  ASN  49          2HD2      ASN  49   2.489  -3.254   7.671
  376    H    TYR  50           H        TYR  50   0.110   1.734   5.721
  377    HA   TYR  50           HA       TYR  50  -1.756  -0.244   4.835
  378   1HB   TYR  50          1HB       TYR  50  -2.091   2.792   4.646
  379   2HB   TYR  50          2HB       TYR  50  -3.376   1.621   4.756
  380    HD1  TYR  50           HD1      TYR  50  -2.019  -0.091   7.074
  381    HD2  TYR  50           HD2      TYR  50  -2.717   4.100   6.483
  382    HE1  TYR  50           HE1      TYR  50  -2.037   0.248   9.481
  383    HE2  TYR  50           HE2      TYR  50  -2.747   4.433   8.899
  384    HH   TYR  50           HH       TYR  50  -3.348   2.754  10.922
  385    H    CYS  51           H        CYS  51  -2.714  -0.546   2.878
  386    HA   CYS  51           HA       CYS  51  -1.049  -0.237   0.644
  387   1HB   CYS  51          1HB       CYS  51  -4.068  -0.679   0.513
  388   2HB   CYS  51          2HB       CYS  51  -2.856  -1.351  -0.541
  389    H    ARG  52           H        ARG  52  -0.824   1.331  -0.856
  390    HA   ARG  52           HA       ARG  52  -2.837   3.517  -1.000
  391   1HB   ARG  52          1HB       ARG  52   0.228   3.844  -1.038
  392   2HB   ARG  52          2HB       ARG  52  -0.891   5.145  -1.342
  393   1HG   ARG  52          1HG       ARG  52  -0.698   3.689   1.297
  394   2HG   ARG  52          2HG       ARG  52  -0.032   5.250   0.924
  395   1HD   ARG  52          1HD       ARG  52  -3.012   4.559   0.947
  396   2HD   ARG  52          2HD       ARG  52  -2.142   5.559   2.095
  397    HE   ARG  52           HE       ARG  52  -1.807   7.232   0.594
  398   1HH1  ARG  52          1HH1      ARG  52  -4.375   4.998  -0.290
  399   2HH1  ARG  52          2HH1      ARG  52  -4.806   5.742  -1.789
  400   1HH2  ARG  52          1HH2      ARG  52  -2.666   8.523  -1.194
  401   2HH2  ARG  52          2HH2      ARG  52  -3.973   7.885  -2.139
  402    H    ASN  53           H        ASN  53  -1.573   4.943  -3.124
  403    HA   ASN  53           HA       ASN  53  -1.080   2.966  -5.141
  404   1HB   ASN  53          1HB       ASN  53  -3.838   3.698  -4.612
  405   2HB   ASN  53          2HB       ASN  53  -3.477   4.533  -6.110
  406   1HD2  ASN  53          1HD2      ASN  53  -4.734   1.297  -7.076
  407   2HD2  ASN  53          2HD2      ASN  53  -5.317   2.497  -5.965
  408    HA   PRO  54           HA       PRO  54   0.984   7.099  -5.533
  409   1HB   PRO  54          1HB       PRO  54   3.195   5.223  -6.398
  410   2HB   PRO  54          2HB       PRO  54   3.308   6.658  -5.401
  411   1HG   PRO  54          1HG       PRO  54   3.402   4.182  -4.264
  412   2HG   PRO  54          2HG       PRO  54   2.572   5.516  -3.476
  413   1HD   PRO  54          1HD       PRO  54   1.310   3.226  -4.967
  414   2HD   PRO  54          2HD       PRO  54   0.767   4.083  -3.523
  415    H    ASP  55           H        ASP  55   1.306   4.267  -7.695
  416    HA   ASP  55           HA       ASP  55   1.331   5.984 -10.084
  417   1HB   ASP  55          1HB       ASP  55   1.941   3.833 -11.206
  418   2HB   ASP  55          2HB       ASP  55   2.991   4.114  -9.832
  419    H    ARG  56           H        ARG  56  -0.878   4.816  -8.070
  420    HA   ARG  56           HA       ARG  56  -2.762   3.913  -8.023
  421   1HB   ARG  56          1HB       ARG  56  -4.609   5.187  -8.869
  422   2HB   ARG  56          2HB       ARG  56  -3.461   6.012  -7.940
  423   1HG   ARG  56          1HG       ARG  56  -3.033   6.127 -10.934
  424   2HG   ARG  56          2HG       ARG  56  -4.313   7.086 -10.238
  425   1HD   ARG  56          1HD       ARG  56  -1.402   7.250  -9.279
  426   2HD   ARG  56          2HD       ARG  56  -2.191   8.418 -10.353
  427    HE   ARG  56           HE       ARG  56  -3.914   8.357  -8.261
  428   1HH1  ARG  56          1HH1      ARG  56  -0.352   8.499  -8.115
  429   2HH1  ARG  56          2HH1      ARG  56  -0.370   9.707  -6.899
  430   1HH2  ARG  56          1HH2      ARG  56  -3.896   9.677  -6.617
  431   2HH2  ARG  56          2HH2      ARG  56  -2.462  10.301  -5.865
  432    H    GLU  57           H        GLU  57  -1.997   2.093  -8.605
  433    HA   GLU  57           HA       GLU  57  -2.559   0.647 -10.980
  434   1HB   GLU  57          1HB       GLU  57  -0.848   0.095  -9.201
  435   2HB   GLU  57          2HB       GLU  57  -2.115  -0.052  -8.022
  436   1HG   GLU  57          1HG       GLU  57  -1.278  -2.209  -8.565
  437   2HG   GLU  57          2HG       GLU  57  -2.956  -2.128  -9.026
  438    H    LEU  58           H        LEU  58  -4.097  -1.269 -10.851
  439    HA   LEU  58           HA       LEU  58  -6.731  -0.318 -10.680
  440   1HB   LEU  58          1HB       LEU  58  -6.013  -2.298 -12.015
  441   2HB   LEU  58          2HB       LEU  58  -5.679  -3.198 -10.562
  442    HG   LEU  58           HG       LEU  58  -8.068  -3.168  -9.947
  443   1HD1  LEU  58          1HD1      LEU  58  -8.505  -1.732 -12.610
  444   2HD1  LEU  58          2HD1      LEU  58  -9.784  -2.420 -11.613
  445   3HD1  LEU  58          3HD1      LEU  58  -8.835  -1.077 -11.005
  446   1HD2  LEU  58          1HD2      LEU  58  -7.168  -5.063 -11.258
  447   2HD2  LEU  58          2HD2      LEU  58  -8.850  -4.756 -11.674
  448   3HD2  LEU  58          3HD2      LEU  58  -7.565  -4.231 -12.760
  449    H    ARG  59           H        ARG  59  -5.073  -2.495  -8.478
  450    HA   ARG  59           HA       ARG  59  -7.042  -1.982  -6.310
  451   1HB   ARG  59          1HB       ARG  59  -6.646  -4.332  -7.262
  452   2HB   ARG  59          2HB       ARG  59  -4.989  -4.205  -6.790
  453   1HG   ARG  59          1HG       ARG  59  -5.730  -5.451  -5.053
  454   2HG   ARG  59          2HG       ARG  59  -6.025  -3.915  -4.329
  455   1HD   ARG  59          1HD       ARG  59  -8.122  -5.575  -5.903
  456   2HD   ARG  59          2HD       ARG  59  -7.813  -5.780  -4.193
  457    HE   ARG  59           HE       ARG  59  -8.552  -3.094  -5.219
  458   1HH1  ARG  59          1HH1      ARG  59  -9.623  -6.059  -3.423
  459   2HH1  ARG  59          2HH1      ARG  59 -10.683  -5.132  -2.431
  460   1HH2  ARG  59          1HH2      ARG  59 -10.151  -2.086  -4.084
  461   2HH2  ARG  59          2HH2      ARG  59 -11.170  -2.915  -2.947
  462    HA   PRO  61           HA       PRO  61  -3.594   0.369  -4.548
  463   1HB   PRO  61          1HB       PRO  61  -4.228   0.452  -1.856
  464   2HB   PRO  61          2HB       PRO  61  -5.099   1.376  -3.058
  465   1HG   PRO  61          1HG       PRO  61  -5.829  -1.286  -1.897
  466   2HG   PRO  61          2HG       PRO  61  -6.898   0.115  -2.083
  467   1HD   PRO  61          1HD       PRO  61  -6.863  -2.043  -3.843
  468   2HD   PRO  61          2HD       PRO  61  -7.179  -0.427  -4.452
  469    H    TRP  62           H        TRP  62  -1.618  -0.069  -3.721
  470    HA   TRP  62           HA       TRP  62  -1.199  -2.837  -2.664
  471   1HB   TRP  62          1HB       TRP  62   0.780  -3.003  -4.218
  472   2HB   TRP  62          2HB       TRP  62  -0.678  -2.676  -5.123
  473    HD1  TRP  62           HD1      TRP  62  -0.943  -0.209  -6.251
  474    HE1  TRP  62           HE1      TRP  62   0.791   1.604  -6.774
  475    HE3  TRP  62           HE3      TRP  62   2.888  -1.934  -3.404
  476    HZ2  TRP  62           HZ2      TRP  62   3.420   2.267  -5.935
  477    HZ3  TRP  62           HZ3      TRP  62   5.000  -0.677  -3.245
  478    HH2  TRP  62           HH2      TRP  62   5.266   1.431  -4.508
  479    H    CYS  63           H        CYS  63   1.063  -3.112  -1.872
  480    HA   CYS  63           HA       CYS  63   2.536  -0.796  -1.040
  481   1HB   CYS  63          1HB       CYS  63   2.446  -1.535   1.493
  482   2HB   CYS  63          2HB       CYS  63   1.186  -0.527   0.864
  483    H    PHE  64           H        PHE  64   4.478  -1.501   0.232
  484    HA   PHE  64           HA       PHE  64   5.610  -3.707  -1.297
  485   1HB   PHE  64          1HB       PHE  64   6.790  -1.907   0.903
  486   2HB   PHE  64          2HB       PHE  64   7.711  -3.118   0.038
  487    HD1  PHE  64           HD1      PHE  64   7.672  -3.018  -2.559
  488    HD2  PHE  64           HD2      PHE  64   6.711   0.302  -0.036
  489    HE1  PHE  64           HE1      PHE  64   8.132  -1.446  -4.424
  490    HE2  PHE  64           HE2      PHE  64   7.222   1.845  -1.892
  491    HZ   PHE  64           HZ       PHE  64   7.962   0.942  -4.080
  492    H    THR  65           H        THR  65   6.565  -5.627  -0.316
  493    HA   THR  65           HA       THR  65   5.000  -6.377   2.124
  494    HB   THR  65           HB       THR  65   4.942  -8.523   1.445
  495    HG1  THR  65           HG1      THR  65   7.201  -8.289  -0.192
  496   1HG2  THR  65          1HG2      THR  65   3.783  -7.196  -0.312
  497   2HG2  THR  65          2HG2      THR  65   5.208  -7.255  -1.329
  498   3HG2  THR  65          3HG2      THR  65   4.369  -8.743  -0.910
  499    H    THR  66           H        THR  66   6.151  -8.218   3.420
  500    HA   THR  66           HA       THR  66   8.606  -7.063   4.438
  501    HB   THR  66           HB       THR  66   8.184  -9.037   6.108
  502    HG1  THR  66           HG1      THR  66   6.896 -10.308   4.646
  503   1HG2  THR  66          1HG2      THR  66   5.901  -7.042   5.669
  504   2HG2  THR  66          2HG2      THR  66   6.203  -7.964   7.133
  505   3HG2  THR  66          3HG2      THR  66   7.362  -6.747   6.603
  506    H    ASP  67           H        ASP  67   7.917  -9.214   1.902
  507    HA   ASP  67           HA       ASP  67  10.092 -11.088   2.479
  508   1HB   ASP  67          1HB       ASP  67   8.107 -12.013   1.500
  509   2HB   ASP  67          2HB       ASP  67   8.087 -10.802   0.223
  510    HA   PRO  68           HA       PRO  68  13.089  -8.484   0.218
  511   1HB   PRO  68          1HB       PRO  68  14.561 -11.123   0.288
  512   2HB   PRO  68          2HB       PRO  68  15.186  -9.519   0.647
  513   1HG   PRO  68          1HG       PRO  68  14.580 -11.260   2.658
  514   2HG   PRO  68          2HG       PRO  68  14.182  -9.555   2.828
  515   1HD   PRO  68          1HD       PRO  68  12.302 -11.813   2.114
  516   2HD   PRO  68          2HD       PRO  68  12.033 -10.406   3.165
  517    H    ASN  69           H        ASN  69  11.281 -11.044  -1.031
  518    HA   ASN  69           HA       ASN  69  12.547 -10.636  -3.731
  519   1HB   ASN  69          1HB       ASN  69  11.025 -13.073  -2.634
  520   2HB   ASN  69          2HB       ASN  69  11.460 -12.864  -4.317
  521   1HD2  ASN  69          1HD2      ASN  69  15.058 -12.896  -2.727
  522   2HD2  ASN  69          2HD2      ASN  69  14.097 -11.465  -2.818
  523    H    LYS  70           H        LYS  70   9.432 -11.032  -1.981
  524    HA   LYS  70           HA       LYS  70   8.081 -10.054  -4.381
  525   1HB   LYS  70          1HB       LYS  70   7.084 -11.763  -2.715
  526   2HB   LYS  70          2HB       LYS  70   6.884 -10.471  -1.596
  527   1HG   LYS  70          1HG       LYS  70   4.782 -10.537  -2.679
  528   2HG   LYS  70          2HG       LYS  70   5.575  -9.222  -3.490
  529   1HD   LYS  70          1HD       LYS  70   6.364 -11.397  -5.072
  530   2HD   LYS  70          2HD       LYS  70   4.833 -11.954  -4.478
  531   1HE   LYS  70          1HE       LYS  70   5.409  -9.518  -6.224
  532   2HE   LYS  70          2HE       LYS  70   4.356 -10.887  -6.555
  533   1HZ   LYS  70          1HZ       LYS  70   3.049 -10.008  -4.559
  534   2HZ   LYS  70          2HZ       LYS  70   3.919  -8.570  -4.832
  535   3HZ   LYS  70          3HZ       LYS  70   2.936  -9.193  -6.043
  536    H    ARG  71           H        ARG  71   9.068  -8.105  -4.632
  537    HA   ARG  71           HA       ARG  71   9.318  -6.034  -2.765
  538   1HB   ARG  71          1HB       ARG  71  10.430  -5.916  -4.886
  539   2HB   ARG  71          2HB       ARG  71   8.956  -5.993  -5.796
  540   1HG   ARG  71          1HG       ARG  71   8.344  -3.699  -5.105
  541   2HG   ARG  71          2HG       ARG  71   9.717  -3.608  -4.031
  542   1HD   ARG  71          1HD       ARG  71  11.271  -3.462  -5.818
  543   2HD   ARG  71          2HD       ARG  71  10.162  -4.189  -6.996
  544    HE   ARG  71           HE       ARG  71   8.771  -2.004  -6.504
  545   1HH1  ARG  71          1HH1      ARG  71  12.223  -2.372  -7.059
  546   2HH1  ARG  71          2HH1      ARG  71  12.399  -0.863  -7.870
  547   1HH2  ARG  71          1HH2      ARG  71   8.948  -0.063  -7.565
  548   2HH2  ARG  71          2HH2      ARG  71  10.460   0.535  -8.116
  549    H    TRP  72           H        TRP  72   6.873  -5.613  -5.335
  550    HA   TRP  72           HA       TRP  72   5.108  -4.354  -3.318
  551   1HB   TRP  72          1HB       TRP  72   4.022  -3.227  -5.162
  552   2HB   TRP  72          2HB       TRP  72   5.718  -2.931  -5.330
  553    HD1  TRP  72           HD1      TRP  72   7.071  -4.482  -7.286
  554    HE1  TRP  72           HE1      TRP  72   6.183  -5.098  -9.592
  555    HE3  TRP  72           HE3      TRP  72   2.109  -3.900  -6.389
  556    HZ2  TRP  72           HZ2      TRP  72   3.638  -5.244 -10.897
  557    HZ3  TRP  72           HZ3      TRP  72   0.470  -4.211  -8.229
  558    HH2  TRP  72           HH2      TRP  72   1.233  -4.816 -10.468
  559    H    GLU  73           H        GLU  73   2.793  -4.725  -3.361
  560    HA   GLU  73           HA       GLU  73   1.760  -6.687  -5.113
  561   1HB   GLU  73          1HB       GLU  73   2.937  -8.156  -3.249
  562   2HB   GLU  73          2HB       GLU  73   1.729  -7.590  -2.192
  563   1HG   GLU  73          1HG       GLU  73  -0.076  -8.510  -3.616
  564   2HG   GLU  73          2HG       GLU  73   1.041  -8.939  -4.874
  565    H    LEU  74           H        LEU  74  -0.411  -6.840  -5.122
  566    HA   LEU  74           HA       LEU  74  -1.792  -4.454  -4.333
  567   1HB   LEU  74          1HB       LEU  74  -3.049  -7.079  -5.313
  568   2HB   LEU  74          2HB       LEU  74  -3.725  -5.490  -5.415
  569    HG   LEU  74           HG       LEU  74  -1.297  -6.443  -6.977
  570   1HD1  LEU  74          1HD1      LEU  74  -3.408  -7.561  -7.680
  571   2HD1  LEU  74          2HD1      LEU  74  -4.161  -5.992  -7.926
  572   3HD1  LEU  74          3HD1      LEU  74  -2.797  -6.479  -8.924
  573   1HD2  LEU  74          1HD2      LEU  74  -2.821  -3.790  -7.092
  574   2HD2  LEU  74          2HD2      LEU  74  -1.126  -4.030  -6.700
  575   3HD2  LEU  74          3HD2      LEU  74  -1.710  -4.350  -8.328
  576    H    CYS  75           H        CYS  75  -3.555  -4.287  -2.865
  577    HA   CYS  75           HA       CYS  75  -3.716  -6.353  -0.730
  578   1HB   CYS  75          1HB       CYS  75  -4.444  -3.379  -0.824
  579   2HB   CYS  75          2HB       CYS  75  -4.759  -4.405   0.554
  580    H    ASP  76           H        ASP  76  -5.610  -7.474  -0.429
  581    HA   ASP  76           HA       ASP  76  -7.755  -6.613  -2.261
  582   1HB   ASP  76          1HB       ASP  76  -7.288  -9.099  -2.018
  583   2HB   ASP  76          2HB       ASP  76  -8.010  -9.033  -0.435
  584    H    ILE  77           H        ILE  77  -8.136  -4.736  -1.415
  585    HA   ILE  77           HA       ILE  77  -8.895  -4.246   1.313
  586    HB   ILE  77           HB       ILE  77  -9.297  -2.666  -1.262
  587   1HG1  ILE  77          1HG1      ILE  77  -6.961  -2.889  -0.879
  588   2HG1  ILE  77          2HG1      ILE  77  -7.445  -1.264  -0.468
  589   1HG2  ILE  77          1HG2      ILE  77 -10.934  -1.786   0.362
  590   2HG2  ILE  77          2HG2      ILE  77  -9.632  -1.510   1.520
  591   3HG2  ILE  77          3HG2      ILE  77  -9.658  -0.647  -0.014
  592   1HD1  ILE  77          1HD1      ILE  77  -7.420  -1.817   1.945
  593   2HD1  ILE  77          2HD1      ILE  77  -6.865  -3.454   1.566
  594   3HD1  ILE  77          3HD1      ILE  77  -5.851  -2.073   1.197
  595    HA   PRO  78           HA       PRO  78 -13.126  -5.687   1.286
  596   1HB   PRO  78          1HB       PRO  78 -13.802  -3.276   2.956
  597   2HB   PRO  78          2HB       PRO  78 -14.086  -4.964   3.299
  598   1HG   PRO  78          1HG       PRO  78 -12.031  -3.508   4.483
  599   2HG   PRO  78          2HG       PRO  78 -11.927  -5.238   4.237
  600   1HD   PRO  78          1HD       PRO  78 -10.480  -3.129   2.744
  601   2HD   PRO  78          2HD       PRO  78 -10.114  -4.848   2.939
  602    H    ARG  79           H        ARG  79 -14.709  -5.494  -0.225
  603    HA   ARG  79           HA       ARG  79 -14.745  -3.072  -1.843
  604   1HB   ARG  79          1HB       ARG  79 -16.195  -5.771  -1.927
  605   2HB   ARG  79          2HB       ARG  79 -16.885  -4.432  -2.750
  606   1HG   ARG  79          1HG       ARG  79 -15.746  -5.055  -4.507
  607   2HG   ARG  79          2HG       ARG  79 -14.457  -4.129  -3.819
  608   1HD   ARG  79          1HD       ARG  79 -14.873  -7.175  -3.565
  609   2HD   ARG  79          2HD       ARG  79 -13.622  -6.368  -4.538
  610    HE   ARG  79           HE       ARG  79 -13.330  -5.468  -1.923
  611   1HH1  ARG  79          1HH1      ARG  79 -13.041  -8.546  -3.751
  612   2HH1  ARG  79          2HH1      ARG  79 -11.686  -9.048  -2.769
  613   1HH2  ARG  79          1HH2      ARG  79 -11.753  -6.454  -0.530
  614   2HH2  ARG  79          2HH2      ARG  79 -11.160  -8.049  -0.908
  615    H    CYS  80           H        CYS  80 -16.170  -1.466  -1.735
  616    HA   CYS  80           HA       CYS  80 -18.148  -1.450   0.480
  617   1HB   CYS  80          1HB       CYS  80 -17.717   0.584  -1.768
  618   2HB   CYS  80          2HB       CYS  80 -18.871   0.768  -0.468
  619    H    THR  81           H        THR  81 -19.062  -3.461  -0.374
  620    HA   THR  81           HA       THR  81 -21.258  -2.929  -2.306
  621    HB   THR  81           HB       THR  81 -20.749  -5.345  -3.140
  622    HG1  THR  81           HG1      THR  81 -19.367  -5.738  -1.232
  623   1HG2  THR  81          1HG2      THR  81 -18.533  -3.281  -3.612
  624   2HG2  THR  81          2HG2      THR  81 -18.794  -4.732  -4.561
  625   3HG2  THR  81          3HG2      THR  81 -20.007  -3.453  -4.551
  626    H1   AMH  84           H1       AMH  84   5.907  -1.367  -9.330
  627   1H2   AMH  84          1H2       AMH  84   5.883   1.017 -10.222
  628   2H2   AMH  84          2H2       AMH  84   4.767   1.431  -8.898
  629   1H3   AMH  84          1H3       AMH  84   3.624   0.923 -11.120
  630   2H3   AMH  84          2H3       AMH  84   4.324  -0.687 -11.002
  631    H4   AMH  84           H4       AMH  84   2.331   0.550  -9.033
  632   1H5   AMH  84          1H5       AMH  84   2.418  -1.585  -7.863
  633   2H5   AMH  84          2H5       AMH  84   3.481  -2.243  -9.099
  634   1H6   AMH  84          1H6       AMH  84   4.811  -1.719  -7.114
  635   2H6   AMH  84          2H6       AMH  84   4.275  -0.073  -7.138
  636   1H7   AMH  84          1H7       AMH  84   0.956  -1.560  -9.838
  637   2H7   AMH  84          2H7       AMH  84   1.015  -0.114 -10.866
  638   1HN   AMH  84          1HN       AMH  84   1.374  -2.316 -11.871
  639   2HN   AMH  84          2HN       AMH  84   2.454  -1.154 -12.292
  640   3HN   AMH  84          3HN       AMH  84   2.883  -2.326 -11.230
  Start of MODEL   12
    1   1H    THR  -4          1H        THR  -4  -9.709  10.656   9.124
    2   2H    THR  -4          2H        THR  -4 -10.784  11.912   8.953
    3   3H    THR  -4          3H        THR  -4 -10.722  11.061  10.378
    4    HA   THR  -4           HA       THR  -4 -12.107   9.583   9.659
    5    HB   THR  -4           HB       THR  -4 -12.742  10.474   7.005
    6    HG1  THR  -4           HG1      THR  -4 -12.393  12.775   7.200
    7   1HG2  THR  -4          1HG2      THR  -4 -14.387  10.263   8.910
    8   2HG2  THR  -4          2HG2      THR  -4 -13.753  11.744   9.618
    9   3HG2  THR  -4          3HG2      THR  -4 -14.582  11.784   8.062
   10    H    SER  -3           H        SER  -3 -12.404   8.045   7.401
   11    HA   SER  -3           HA       SER  -3 -10.011   7.660   5.929
   12   1HB   SER  -3          1HB       SER  -3  -9.611   5.333   6.936
   13   2HB   SER  -3          2HB       SER  -3  -9.198   6.631   8.037
   14    HG   SER  -3           HG       SER  -3 -10.831   4.755   8.728
   15    H    GLU  -2           H        GLU  -2 -10.400   5.465   4.645
   16    HA   GLU  -2           HA       GLU  -2 -13.332   4.982   4.436
   17   1HB   GLU  -2          1HB       GLU  -2 -13.044   4.612   1.988
   18   2HB   GLU  -2          2HB       GLU  -2 -12.877   6.267   2.503
   19   1HG   GLU  -2          1HG       GLU  -2 -10.363   6.076   2.334
   20   2HG   GLU  -2          2HG       GLU  -2 -10.575   4.412   1.819
   21    H    GLU  -1           H        GLU  -1 -13.491   3.241   5.561
   22    HA   GLU  -1           HA       GLU  -1 -11.347   1.318   5.707
   23   1HB   GLU  -1          1HB       GLU  -1 -14.240   1.069   6.643
   24   2HB   GLU  -1          2HB       GLU  -1 -12.937   0.064   7.185
   25   1HG   GLU  -1          1HG       GLU  -1 -12.989   3.121   7.645
   26   2HG   GLU  -1          2HG       GLU  -1 -13.622   1.956   8.770
   27    H    CYS   1           H        CYS   1 -14.268   1.619   3.762
   28    HA   CYS   1           HA       CYS   1 -13.513  -0.894   2.400
   29   1HB   CYS   1          1HB       CYS   1 -15.806  -1.372   1.857
   30   2HB   CYS   1          2HB       CYS   1 -15.727  -1.161   3.576
   31    H    MET   2           H        MET   2 -13.684  -0.786   0.140
   32    HA   MET   2           HA       MET   2 -13.583   2.053  -0.902
   33   1HB   MET   2          1HB       MET   2 -11.724  -0.331  -1.348
   34   2HB   MET   2          2HB       MET   2 -11.861   0.889  -2.594
   35   1HG   MET   2          1HG       MET   2  -9.948   1.212  -0.982
   36   2HG   MET   2          2HG       MET   2 -10.926   2.599  -1.405
   37   1HE   MET   2          1HE       MET   2  -9.786   0.150   1.227
   38   2HE   MET   2          2HE       MET   2 -10.633   0.605   2.698
   39   3HE   MET   2          3HE       MET   2 -11.493  -0.284   1.435
   40    H    HIS   3           H        HIS   3 -13.831   2.387  -3.011
   41    HA   HIS   3           HA       HIS   3 -16.107   1.061  -4.158
   42   1HB   HIS   3          1HB       HIS   3 -14.178   3.129  -5.386
   43   2HB   HIS   3          2HB       HIS   3 -15.716   2.666  -6.085
   44    HD1  HIS   3           HD1      HIS   3 -14.814   5.540  -4.745
   45    HD2  HIS   3           HD2      HIS   3 -17.524   2.696  -3.254
   46    HE1  HIS   3           HE1      HIS   3 -16.393   6.748  -3.170
   47    H    GLY   4           H        GLY   4 -12.669   0.684  -4.471
   48   1HA   GLY   4          1HA       GLY   4 -12.496  -1.778  -5.428
   49   2HA   GLY   4          2HA       GLY   4 -12.944  -0.951  -6.939
   50    H    SER   5           H        SER   5 -11.384   1.546  -6.092
   51    HA   SER   5           HA       SER   5  -8.865   0.607  -7.226
   52   1HB   SER   5          1HB       SER   5  -8.607   3.190  -7.404
   53   2HB   SER   5          2HB       SER   5  -9.947   2.452  -8.294
   54    HG   SER   5           HG       SER   5 -10.719   4.238  -7.013
   55    H    GLY   6           H        GLY   6  -9.968   2.725  -4.702
   56   1HA   GLY   6          1HA       GLY   6  -9.166   2.984  -2.475
   57   2HA   GLY   6          2HA       GLY   6  -7.813   1.884  -2.816
   58    H    GLU   7           H        GLU   7  -8.680   4.482  -4.936
   59    HA   GLU   7           HA       GLU   7  -6.118   5.588  -4.939
   60   1HB   GLU   7          1HB       GLU   7  -8.656   6.231  -6.195
   61   2HB   GLU   7          2HB       GLU   7  -7.951   7.731  -5.685
   62   1HG   GLU   7          1HG       GLU   7  -6.465   5.647  -7.373
   63   2HG   GLU   7          2HG       GLU   7  -7.320   7.026  -8.028
   64    H    ASN   8           H        ASN   8  -8.857   6.450  -2.895
   65    HA   ASN   8           HA       ASN   8  -7.139   8.426  -1.451
   66   1HB   ASN   8          1HB       ASN   8  -9.347   9.194  -2.368
   67   2HB   ASN   8          2HB       ASN   8 -10.179   7.974  -1.436
   68   1HD2  ASN   8          1HD2      ASN   8 -10.360   9.923   1.445
   69   2HD2  ASN   8          2HD2      ASN   8 -10.814   8.485   0.591
   70    H    TYR   9           H        TYR   9  -7.545   5.243  -1.368
   71    HA   TYR   9           HA       TYR   9  -8.631   4.771   1.148
   72   1HB   TYR   9          1HB       TYR   9  -8.612   2.922  -0.353
   73   2HB   TYR   9          2HB       TYR   9  -6.872   3.010  -0.601
   74    HD1  TYR   9           HD1      TYR   9  -9.086   2.939   2.401
   75    HD2  TYR   9           HD2      TYR   9  -5.887   1.085   0.300
   76    HE1  TYR   9           HE1      TYR   9  -8.668   1.547   4.344
   77    HE2  TYR   9           HE2      TYR   9  -5.417  -0.315   2.234
   78    HH   TYR   9           HH       TYR   9  -5.807  -0.519   4.571
   79    H    ASP  10           H        ASP  10  -8.066   5.194   3.016
   80    HA   ASP  10           HA       ASP  10  -5.647   4.056   3.986
   81   1HB   ASP  10          1HB       ASP  10  -5.108   5.911   5.552
   82   2HB   ASP  10          2HB       ASP  10  -4.796   6.283   3.859
   83    H    GLY  11           H        GLY  11  -5.955   3.289   6.145
   84   1HA   GLY  11          1HA       GLY  11  -8.311   3.734   7.606
   85   2HA   GLY  11          2HA       GLY  11  -8.600   2.354   6.523
   86    H    LYS  12           H        LYS  12  -7.383   0.528   6.777
   87    HA   LYS  12           HA       LYS  12  -5.463   0.264   8.971
   88   1HB   LYS  12          1HB       LYS  12  -8.078  -1.310   9.316
   89   2HB   LYS  12          2HB       LYS  12  -6.731  -1.301  10.403
   90   1HG   LYS  12          1HG       LYS  12  -7.259   1.114  10.975
   91   2HG   LYS  12          2HG       LYS  12  -8.597   1.045   9.842
   92   1HD   LYS  12          1HD       LYS  12  -9.554  -0.890  11.177
   93   2HD   LYS  12          2HD       LYS  12  -8.330  -0.594  12.383
   94   1HE   LYS  12          1HE       LYS  12 -10.473   0.503  12.992
   95   2HE   LYS  12          2HE       LYS  12  -9.249   1.739  12.742
   96   1HZ   LYS  12          1HZ       LYS  12 -11.156   0.887  10.641
   97   2HZ   LYS  12          2HZ       LYS  12 -11.425   2.209  11.671
   98   3HZ   LYS  12          3HZ       LYS  12 -10.192   2.168  10.527
   99    H    ILE  13           H        ILE  13  -7.103  -1.200   6.199
  100    HA   ILE  13           HA       ILE  13  -5.889  -3.764   6.684
  101    HB   ILE  13           HB       ILE  13  -6.909  -2.825   3.980
  102   1HG1  ILE  13          1HG1      ILE  13  -9.077  -4.162   5.037
  103   2HG1  ILE  13          2HG1      ILE  13  -8.582  -3.271   6.431
  104   1HG2  ILE  13          1HG2      ILE  13  -6.787  -5.554   5.326
  105   2HG2  ILE  13          2HG2      ILE  13  -7.515  -5.233   3.763
  106   3HG2  ILE  13          3HG2      ILE  13  -5.792  -4.989   3.981
  107   1HD1  ILE  13          1HD1      ILE  13  -9.126  -2.024   3.661
  108   2HD1  ILE  13          2HD1      ILE  13 -10.304  -2.115   4.949
  109   3HD1  ILE  13          3HD1      ILE  13  -8.872  -1.122   5.144
  110    H    SER  14           H        SER  14  -3.933  -4.348   6.187
  111    HA   SER  14           HA       SER  14  -2.483  -3.077   3.972
  112   1HB   SER  14          1HB       SER  14  -1.976  -1.846   6.218
  113   2HB   SER  14          2HB       SER  14  -1.262  -3.329   6.776
  114    HG   SER  14           HG       SER  14  -0.352  -1.964   4.444
  115    H    LYS  15           H        LYS  15  -3.724  -5.677   4.441
  116    HA   LYS  15           HA       LYS  15  -1.287  -7.408   4.535
  117   1HB   LYS  15          1HB       LYS  15  -3.237  -7.815   6.111
  118   2HB   LYS  15          2HB       LYS  15  -4.170  -8.397   4.761
  119   1HG   LYS  15          1HG       LYS  15  -1.383  -9.491   5.405
  120   2HG   LYS  15          2HG       LYS  15  -2.757 -10.058   6.296
  121   1HD   LYS  15          1HD       LYS  15  -3.734 -11.167   4.473
  122   2HD   LYS  15          2HD       LYS  15  -2.954 -10.165   3.301
  123   1HE   LYS  15          1HE       LYS  15  -0.721 -11.232   3.893
  124   2HE   LYS  15          2HE       LYS  15  -1.570 -12.359   4.943
  125   1HZ   LYS  15          1HZ       LYS  15  -2.048 -11.976   2.070
  126   2HZ   LYS  15          2HZ       LYS  15  -1.088 -13.207   2.665
  127   3HZ   LYS  15          3HZ       LYS  15  -2.753 -13.185   3.020
  128    H    THR  16           H        THR  16  -0.485  -8.100   2.817
  129    HA   THR  16           HA       THR  16  -1.616  -7.513   0.278
  130    HB   THR  16           HB       THR  16   0.210  -8.468  -0.743
  131    HG1  THR  16           HG1      THR  16   0.534 -10.025   1.534
  132   1HG2  THR  16          1HG2      THR  16   1.150  -7.357   1.958
  133   2HG2  THR  16          2HG2      THR  16   2.213  -7.717   0.627
  134   3HG2  THR  16          3HG2      THR  16   0.950  -6.508   0.426
  135    H    MET  17           H        MET  17  -2.720  -8.655  -1.083
  136    HA   MET  17           HA       MET  17  -4.695 -10.274  -0.519
  137   1HB   MET  17          1HB       MET  17  -4.985 -10.663  -2.921
  138   2HB   MET  17          2HB       MET  17  -4.313  -9.078  -2.697
  139   1HG   MET  17          1HG       MET  17  -2.038  -9.958  -3.289
  140   2HG   MET  17          2HG       MET  17  -2.691 -11.562  -3.521
  141   1HE   MET  17          1HE       MET  17  -1.142 -10.969  -5.615
  142   2HE   MET  17          2HE       MET  17  -1.716 -10.086  -7.032
  143   3HE   MET  17          3HE       MET  17  -1.150  -9.211  -5.586
  144    H    SER  18           H        SER  18  -1.494 -11.458  -1.145
  145    HA   SER  18           HA       SER  18  -2.395 -14.016  -0.040
  146   1HB   SER  18          1HB       SER  18  -0.841 -14.171  -2.684
  147   2HB   SER  18          2HB       SER  18  -1.587 -15.467  -1.787
  148    HG   SER  18           HG       SER  18  -3.614 -14.086  -2.198
  149    H    GLY  19           H        GLY  19   0.555 -12.602  -1.489
  150   1HA   GLY  19          1HA       GLY  19   2.603 -13.500  -0.386
  151   2HA   GLY  19          2HA       GLY  19   2.344 -11.763  -0.450
  152    H    LEU  20           H        LEU  20   2.435 -10.632   1.514
  153    HA   LEU  20           HA       LEU  20   2.198 -12.161   4.032
  154   1HB   LEU  20          1HB       LEU  20   4.506 -10.216   3.388
  155   2HB   LEU  20          2HB       LEU  20   4.349 -11.194   4.801
  156    HG   LEU  20           HG       LEU  20   4.317 -13.165   2.900
  157   1HD1  LEU  20          1HD1      LEU  20   4.703 -11.547   0.987
  158   2HD1  LEU  20          2HD1      LEU  20   6.184 -11.021   1.761
  159   3HD1  LEU  20          3HD1      LEU  20   6.038 -12.671   1.173
  160   1HD2  LEU  20          1HD2      LEU  20   5.814 -13.033   4.916
  161   2HD2  LEU  20          2HD2      LEU  20   6.550 -13.719   3.476
  162   3HD2  LEU  20          3HD2      LEU  20   6.938 -12.077   3.946
  163    H    GLU  21           H        GLU  21   2.959 -10.066   5.687
  164    HA   GLU  21           HA       GLU  21   0.741  -8.167   5.361
  165   1HB   GLU  21          1HB       GLU  21   1.201  -9.085   7.627
  166   2HB   GLU  21          2HB       GLU  21   2.869  -8.593   7.534
  167   1HG   GLU  21          1HG       GLU  21   1.633  -7.072   8.997
  168   2HG   GLU  21          2HG       GLU  21   2.217  -6.191   7.612
  169    H    CYS  22           H        CYS  22   1.139  -5.879   5.080
  170    HA   CYS  22           HA       CYS  22   3.512  -5.494   3.444
  171   1HB   CYS  22          1HB       CYS  22   1.263  -3.694   4.245
  172   2HB   CYS  22          2HB       CYS  22   2.636  -3.063   3.350
  173    H    GLN  23           H        GLN  23   4.996  -4.099   3.610
  174    HA   GLN  23           HA       GLN  23   6.194  -3.502   6.234
  175   1HB   GLN  23          1HB       GLN  23   7.518  -4.753   4.633
  176   2HB   GLN  23          2HB       GLN  23   7.113  -3.730   3.300
  177   1HG   GLN  23          1HG       GLN  23   8.478  -2.248   5.469
  178   2HG   GLN  23          2HG       GLN  23   9.442  -3.572   4.845
  179   1HE2  GLN  23          1HE2      GLN  23   8.325  -0.723   2.125
  180   2HE2  GLN  23          2HE2      GLN  23   7.163  -1.195   3.295
  181    H    ALA  24           H        ALA  24   6.423  -1.456   6.940
  182    HA   ALA  24           HA       ALA  24   4.693   0.495   5.928
  183   1HB   ALA  24          1HB       ALA  24   5.423   0.451   8.284
  184   2HB   ALA  24          2HB       ALA  24   7.077   0.865   7.819
  185   3HB   ALA  24          3HB       ALA  24   5.768   2.034   7.605
  186    H    TRP  25           H        TRP  25   4.920   2.397   4.894
  187    HA   TRP  25           HA       TRP  25   6.471   2.234   2.554
  188   1HB   TRP  25          1HB       TRP  25   4.860   4.558   3.724
  189   2HB   TRP  25          2HB       TRP  25   5.543   4.591   2.098
  190    HD1  TRP  25           HD1      TRP  25   2.706   2.973   4.120
  191    HE1  TRP  25           HE1      TRP  25   1.096   1.863   2.484
  192    HE3  TRP  25           HE3      TRP  25   5.422   3.460  -0.156
  193    HZ2  TRP  25           HZ2      TRP  25   0.974   1.302  -0.264
  194    HZ3  TRP  25           HZ3      TRP  25   4.491   2.640  -2.312
  195    HH2  TRP  25           HH2      TRP  25   2.259   1.554  -2.358
  196    H    ASP  26           H        ASP  26   7.697   3.684   5.553
  197    HA   ASP  26           HA       ASP  26   9.178   5.592   3.886
  198   1HB   ASP  26          1HB       ASP  26   8.256   6.028   6.321
  199   2HB   ASP  26          2HB       ASP  26   9.778   5.359   6.852
  200    H    SER  27           H        SER  27  11.548   5.272   5.804
  201    HA   SER  27           HA       SER  27  12.836   3.087   4.177
  202   1HB   SER  27          1HB       SER  27  13.776   5.445   4.038
  203   2HB   SER  27          2HB       SER  27  14.196   5.348   5.756
  204    HG   SER  27           HG       SER  27  15.983   4.651   4.442
  205    H    GLN  28           H        GLN  28  12.915   1.262   5.153
  206    HA   GLN  28           HA       GLN  28  13.656   1.148   7.993
  207   1HB   GLN  28          1HB       GLN  28  11.495  -0.508   8.226
  208   2HB   GLN  28          2HB       GLN  28  11.521   1.162   8.621
  209   1HG   GLN  28          1HG       GLN  28   9.489   0.657   7.300
  210   2HG   GLN  28          2HG       GLN  28  10.467   1.855   6.482
  211   1HE2  GLN  28          1HE2      GLN  28  10.513  -0.171   3.602
  212   2HE2  GLN  28          2HE2      GLN  28  10.382   1.410   4.221
  213    H    SER  29           H        SER  29  12.339  -1.400   5.800
  214    HA   SER  29           HA       SER  29  14.647  -2.620   5.055
  215   1HB   SER  29          1HB       SER  29  14.680  -4.579   6.792
  216   2HB   SER  29          2HB       SER  29  15.259  -3.057   7.412
  217    HG   SER  29           HG       SER  29  12.530  -3.715   7.654
  218    HA   PRO  30           HA       PRO  30  14.645  -5.327   3.974
  219   1HB   PRO  30          1HB       PRO  30  13.456  -4.986   1.216
  220   2HB   PRO  30          2HB       PRO  30  14.355  -6.341   1.873
  221   1HG   PRO  30          1HG       PRO  30  11.644  -6.457   1.753
  222   2HG   PRO  30          2HG       PRO  30  12.450  -7.014   3.216
  223   1HD   PRO  30          1HD       PRO  30  11.154  -4.317   2.744
  224   2HD   PRO  30          2HD       PRO  30  10.945  -5.375   4.135
  225    H    HIS  31           H        HIS  31  13.676  -2.864   1.512
  226    HA   HIS  31           HA       HIS  31  16.292  -1.537   2.021
  227   1HB   HIS  31          1HB       HIS  31  15.147  -2.260  -0.757
  228   2HB   HIS  31          2HB       HIS  31  16.588  -1.301  -0.494
  229    HD1  HIS  31           HD1      HIS  31  17.447  -3.507   1.945
  230    HD2  HIS  31           HD2      HIS  31  16.738  -4.091  -2.155
  231    HE1  HIS  31           HE1      HIS  31  18.702  -5.598   1.252
  232    H    ALA  32           H        ALA  32  16.386   0.614   1.128
  233    HA   ALA  32           HA       ALA  32  13.959   2.070   1.703
  234   1HB   ALA  32          1HB       ALA  32  16.226   2.936   2.320
  235   2HB   ALA  32          2HB       ALA  32  16.657   3.068   0.616
  236   3HB   ALA  32          3HB       ALA  32  15.381   4.082   1.286
  237    H    HIS  33           H        HIS  33  12.728   1.016   0.134
  238    HA   HIS  33           HA       HIS  33  13.024   1.395  -2.706
  239   1HB   HIS  33          1HB       HIS  33  10.580   0.537  -2.700
  240   2HB   HIS  33          2HB       HIS  33  11.671  -0.469  -1.759
  241    HD1  HIS  33           HD1      HIS  33   9.374   2.526  -1.059
  242    HD2  HIS  33           HD2      HIS  33  10.935  -0.902   0.834
  243    HE1  HIS  33           HE1      HIS  33   8.364   2.409   1.212
  244    H    GLY  34           H        GLY  34  11.135   2.452  -3.963
  245   1HA   GLY  34          1HA       GLY  34  11.203   5.278  -3.342
  246   2HA   GLY  34          2HA       GLY  34  10.328   4.499  -4.678
  247    H    TYR  36           H        TYR  36   9.132   6.546  -3.542
  248    HA   TYR  36           HA       TYR  36   7.172   7.278  -2.720
  249   1HB   TYR  36          1HB       TYR  36   6.191   4.459  -2.133
  250   2HB   TYR  36          2HB       TYR  36   5.247   5.856  -2.558
  251    HD1  TYR  36           HD1      TYR  36   5.745   6.812  -5.074
  252    HD2  TYR  36           HD2      TYR  36   6.594   2.883  -3.671
  253    HE1  TYR  36           HE1      TYR  36   5.769   5.961  -7.394
  254    HE2  TYR  36           HE2      TYR  36   6.611   2.031  -5.917
  255    HH   TYR  36           HH       TYR  36   6.775   2.700  -8.200
  256    H    ILE  37           H        ILE  37   8.960   7.741  -1.095
  257    HA   ILE  37           HA       ILE  37   8.577   6.451   1.527
  258    HB   ILE  37           HB       ILE  37  10.662   8.369   0.398
  259   1HG1  ILE  37          1HG1      ILE  37  10.837   5.380   0.980
  260   2HG1  ILE  37          2HG1      ILE  37  10.773   6.112  -0.597
  261   1HG2  ILE  37          1HG2      ILE  37  10.445   8.674   2.837
  262   2HG2  ILE  37          2HG2      ILE  37  10.775   6.958   3.089
  263   3HG2  ILE  37          3HG2      ILE  37  12.005   8.005   2.417
  264   1HD1  ILE  37          1HD1      ILE  37  12.954   7.331  -0.095
  265   2HD1  ILE  37          2HD1      ILE  37  13.073   6.386   1.394
  266   3HD1  ILE  37          3HD1      ILE  37  13.096   5.580  -0.158
  267    HA   PRO  38           HA       PRO  38   5.774   9.974   2.188
  268   1HB   PRO  38          1HB       PRO  38   5.600   9.611   5.067
  269   2HB   PRO  38          2HB       PRO  38   4.459   9.143   3.846
  270   1HG   PRO  38          1HG       PRO  38   6.596   7.542   5.178
  271   2HG   PRO  38          2HG       PRO  38   5.076   6.965   4.533
  272   1HD   PRO  38          1HD       PRO  38   7.510   6.553   3.323
  273   2HD   PRO  38          2HD       PRO  38   6.057   6.717   2.330
  274    H    SER  39           H        SER  39   8.772   9.650   4.096
  275    HA   SER  39           HA       SER  39   8.563  12.266   5.212
  276   1HB   SER  39          1HB       SER  39  11.187  12.023   5.366
  277   2HB   SER  39          2HB       SER  39  10.153  11.065   6.362
  278    HG   SER  39           HG       SER  39  10.690   9.262   5.155
  279    H    LYS  40           H        LYS  40   8.847  11.462   1.989
  280    HA   LYS  40           HA       LYS  40  10.229  13.992   1.231
  281   1HB   LYS  40          1HB       LYS  40   9.715  11.308  -0.193
  282   2HB   LYS  40          2HB       LYS  40  10.336  12.685  -1.030
  283   1HG   LYS  40          1HG       LYS  40  12.090  11.032  -0.395
  284   2HG   LYS  40          2HG       LYS  40  12.427  12.654   0.192
  285   1HD   LYS  40          1HD       LYS  40  11.876  12.092   2.435
  286   2HD   LYS  40          2HD       LYS  40  11.079  10.593   1.967
  287   1HE   LYS  40          1HE       LYS  40  13.257   9.575   1.444
  288   2HE   LYS  40          2HE       LYS  40  14.090  11.082   1.825
  289   1HZ   LYS  40          1HZ       LYS  40  12.295   9.746   3.768
  290   2HZ   LYS  40          2HZ       LYS  40  13.959   9.405   3.674
  291   3HZ   LYS  40          3HZ       LYS  40  13.384  10.955   4.053
  292    H    PHE  41           H        PHE  41   7.197  13.049   1.938
  293    HA   PHE  41           HA       PHE  41   6.041  14.453  -0.418
  294   1HB   PHE  41          1HB       PHE  41   4.916  12.162   1.235
  295   2HB   PHE  41          2HB       PHE  41   3.947  13.133   0.163
  296    HD1  PHE  41           HD1      PHE  41   6.807  10.806   0.212
  297    HD2  PHE  41           HD2      PHE  41   4.023  12.933  -2.204
  298    HE1  PHE  41           HE1      PHE  41   7.451   9.440  -1.718
  299    HE2  PHE  41           HE2      PHE  41   4.648  11.560  -4.143
  300    HZ   PHE  41           HZ       PHE  41   6.374   9.807  -3.917
  301    HA   PRO  42           HA       PRO  42   4.371  17.069   2.969
  302   1HB   PRO  42          1HB       PRO  42   3.513  19.116   1.286
  303   2HB   PRO  42          2HB       PRO  42   5.132  19.001   1.951
  304   1HG   PRO  42          1HG       PRO  42   4.229  18.171  -0.800
  305   2HG   PRO  42          2HG       PRO  42   5.683  19.061  -0.369
  306   1HD   PRO  42          1HD       PRO  42   5.675  16.362  -0.891
  307   2HD   PRO  42          2HD       PRO  42   6.806  17.039   0.284
  308    H    ASN  43           H        ASN  43   3.308  15.396   0.242
  309    HA   ASN  43           HA       ASN  43   0.494  15.869   0.380
  310   1HB   ASN  43          1HB       ASN  43   1.966  14.850  -1.559
  311   2HB   ASN  43          2HB       ASN  43   1.921  13.343  -0.679
  312   1HD2  ASN  43          1HD2      ASN  43  -1.294  14.676  -2.797
  313   2HD2  ASN  43          2HD2      ASN  43   0.091  15.681  -2.576
  314    H    LYS  44           H        LYS  44  -0.630  13.225   0.643
  315    HA   LYS  44           HA       LYS  44   0.405  12.090   3.096
  316   1HB   LYS  44          1HB       LYS  44  -1.999  12.219   4.144
  317   2HB   LYS  44          2HB       LYS  44  -0.859  13.475   4.410
  318   1HG   LYS  44          1HG       LYS  44  -2.926  13.680   2.172
  319   2HG   LYS  44          2HG       LYS  44  -3.308  14.079   3.813
  320   1HD   LYS  44          1HD       LYS  44  -1.347  15.586   2.027
  321   2HD   LYS  44          2HD       LYS  44  -2.844  16.100   2.695
  322   1HE   LYS  44          1HE       LYS  44  -1.529  17.133   4.248
  323   2HE   LYS  44          2HE       LYS  44  -1.628  15.584   5.055
  324   1HZ   LYS  44          1HZ       LYS  44   0.553  15.044   3.908
  325   2HZ   LYS  44          2HZ       LYS  44   0.590  16.617   3.377
  326   3HZ   LYS  44          3HZ       LYS  44   0.609  16.314   5.027
  327    H    ASN  45           H        ASN  45   0.458  11.364   0.564
  328    HA   ASN  45           HA       ASN  45  -1.602   9.474  -0.071
  329   1HB   ASN  45          1HB       ASN  45   0.021   8.708  -1.861
  330   2HB   ASN  45          2HB       ASN  45  -0.401  10.419  -1.944
  331   1HD2  ASN  45          1HD2      ASN  45   3.281  10.125  -2.440
  332   2HD2  ASN  45          2HD2      ASN  45   1.941   9.459  -3.287
  333    H    LEU  46           H        LEU  46   1.868   9.056   0.820
  334    HA   LEU  46           HA       LEU  46   1.274   6.269   1.509
  335   1HB   LEU  46          1HB       LEU  46   3.837   7.844   2.037
  336   2HB   LEU  46          2HB       LEU  46   3.620   6.145   2.292
  337    HG   LEU  46           HG       LEU  46   4.536   5.912   0.295
  338   1HD1  LEU  46          1HD1      LEU  46   2.210   5.200  -0.232
  339   2HD1  LEU  46          2HD1      LEU  46   1.886   6.793  -0.919
  340   3HD1  LEU  46          3HD1      LEU  46   3.101   5.752  -1.635
  341   1HD2  LEU  46          1HD2      LEU  46   3.787   8.766  -0.400
  342   2HD2  LEU  46          2HD2      LEU  46   5.343   8.163   0.129
  343   3HD2  LEU  46          3HD2      LEU  46   4.721   7.713  -1.452
  344    H    LYS  47           H        LYS  47   1.713   5.360   3.599
  345    HA   LYS  47           HA       LYS  47   1.122   7.199   5.804
  346   1HB   LYS  47          1HB       LYS  47  -0.874   5.966   4.402
  347   2HB   LYS  47          2HB       LYS  47  -0.631   4.681   5.466
  348   1HG   LYS  47          1HG       LYS  47  -1.711   5.876   7.184
  349   2HG   LYS  47          2HG       LYS  47  -0.800   7.332   6.883
  350   1HD   LYS  47          1HD       LYS  47  -3.041   6.372   5.092
  351   2HD   LYS  47          2HD       LYS  47  -3.331   7.483   6.410
  352   1HE   LYS  47          1HE       LYS  47  -1.952   9.220   5.342
  353   2HE   LYS  47          2HE       LYS  47  -1.365   8.107   4.130
  354   1HZ   LYS  47          1HZ       LYS  47  -4.188   8.975   4.359
  355   2HZ   LYS  47          2HZ       LYS  47  -3.002   9.529   3.253
  356   3HZ   LYS  47          3HZ       LYS  47  -3.565   7.937   3.224
  357    H    LYS  48           H        LYS  48   0.382   4.644   7.293
  358    HA   LYS  48           HA       LYS  48   3.027   3.949   8.235
  359   1HB   LYS  48          1HB       LYS  48   0.348   2.471   8.722
  360   2HB   LYS  48          2HB       LYS  48   1.866   1.988   9.395
  361   1HG   LYS  48          1HG       LYS  48   0.883   3.187  11.119
  362   2HG   LYS  48          2HG       LYS  48   2.165   4.178  10.511
  363   1HD   LYS  48          1HD       LYS  48   0.248   5.571  11.020
  364   2HD   LYS  48          2HD       LYS  48   0.525   5.624   9.312
  365   1HE   LYS  48          1HE       LYS  48  -1.890   5.417   9.761
  366   2HE   LYS  48          2HE       LYS  48  -1.324   3.972   8.949
  367   1HZ   LYS  48          1HZ       LYS  48  -1.267   2.851  11.079
  368   2HZ   LYS  48          2HZ       LYS  48  -1.841   4.251  11.847
  369   3HZ   LYS  48          3HZ       LYS  48  -2.801   3.443  10.711
  370    H    ASN  49           H        ASN  49   0.914   1.289   7.249
  371    HA   ASN  49           HA       ASN  49   2.748   0.606   5.006
  372   1HB   ASN  49          1HB       ASN  49   2.598  -1.765   5.691
  373   2HB   ASN  49          2HB       ASN  49   3.287  -0.811   6.996
  374   1HD2  ASN  49          1HD2      ASN  49   0.730  -3.342   8.172
  375   2HD2  ASN  49          2HD2      ASN  49   2.139  -3.381   7.243
  376    H    TYR  50           H        TYR  50  -0.234   1.465   5.865
  377    HA   TYR  50           HA       TYR  50  -2.109  -0.137   4.668
  378   1HB   TYR  50          1HB       TYR  50  -2.010   2.913   4.356
  379   2HB   TYR  50          2HB       TYR  50  -3.435   1.930   4.124
  380    HD1  TYR  50           HD1      TYR  50  -2.250   0.227   6.871
  381    HD2  TYR  50           HD2      TYR  50  -3.638   4.128   5.759
  382    HE1  TYR  50           HE1      TYR  50  -2.948   0.629   9.160
  383    HE2  TYR  50           HE2      TYR  50  -4.368   4.515   8.080
  384    HH   TYR  50           HH       TYR  50  -5.069   2.770  10.045
  385    H    CYS  51           H        CYS  51  -2.891  -0.663   2.720
  386    HA   CYS  51           HA       CYS  51  -1.195  -0.467   0.502
  387   1HB   CYS  51          1HB       CYS  51  -4.215  -0.957   0.456
  388   2HB   CYS  51          2HB       CYS  51  -3.020  -1.645  -0.619
  389    H    ARG  52           H        ARG  52  -0.985   1.013  -1.140
  390    HA   ARG  52           HA       ARG  52  -2.991   3.174  -1.359
  391   1HB   ARG  52          1HB       ARG  52   0.061   3.531  -1.406
  392   2HB   ARG  52          2HB       ARG  52  -1.060   4.828  -1.703
  393   1HG   ARG  52          1HG       ARG  52  -0.767   3.374   0.930
  394   2HG   ARG  52          2HG       ARG  52  -0.219   4.967   0.538
  395   1HD   ARG  52          1HD       ARG  52  -3.141   4.079   0.753
  396   2HD   ARG  52          2HD       ARG  52  -2.275   5.233   1.757
  397    HE   ARG  52           HE       ARG  52  -2.056   6.717   0.007
  398   1HH1  ARG  52          1HH1      ARG  52  -4.705   4.452  -0.192
  399   2HH1  ARG  52          2HH1      ARG  52  -5.272   4.856  -1.779
  400   1HH2  ARG  52          1HH2      ARG  52  -3.018   7.650  -1.942
  401   2HH2  ARG  52          2HH2      ARG  52  -4.486   7.028  -2.578
  402    H    ASN  53           H        ASN  53  -2.027   4.594  -3.351
  403    HA   ASN  53           HA       ASN  53  -1.832   2.758  -5.667
  404   1HB   ASN  53          1HB       ASN  53  -3.954   4.878  -4.986
  405   2HB   ASN  53          2HB       ASN  53  -3.830   4.369  -6.622
  406   1HD2  ASN  53          1HD2      ASN  53  -5.556   1.341  -6.115
  407   2HD2  ASN  53          2HD2      ASN  53  -4.748   2.241  -7.291
  408    HA   PRO  54           HA       PRO  54   0.774   6.756  -5.645
  409   1HB   PRO  54          1HB       PRO  54   3.047   4.900  -6.325
  410   2HB   PRO  54          2HB       PRO  54   3.017   6.247  -5.201
  411   1HG   PRO  54          1HG       PRO  54   2.999   3.662  -4.310
  412   2HG   PRO  54          2HG       PRO  54   2.139   4.943  -3.475
  413   1HD   PRO  54          1HD       PRO  54   0.935   2.843  -5.265
  414   2HD   PRO  54          2HD       PRO  54   0.344   3.570  -3.771
  415    H    ASP  55           H        ASP  55   1.185   3.879  -7.723
  416    HA   ASP  55           HA       ASP  55   1.360   5.544 -10.143
  417   1HB   ASP  55          1HB       ASP  55   2.035   3.394 -11.202
  418   2HB   ASP  55          2HB       ASP  55   3.015   3.684  -9.781
  419    H    ARG  56           H        ARG  56  -0.964   4.739  -8.242
  420    HA   ARG  56           HA       ARG  56  -2.865   3.712  -8.191
  421   1HB   ARG  56          1HB       ARG  56  -4.619   5.064  -9.376
  422   2HB   ARG  56          2HB       ARG  56  -3.601   5.853  -8.268
  423   1HG   ARG  56          1HG       ARG  56  -2.748   5.886 -11.192
  424   2HG   ARG  56          2HG       ARG  56  -4.040   6.932 -10.670
  425   1HD   ARG  56          1HD       ARG  56  -1.229   6.967  -9.441
  426   2HD   ARG  56          2HD       ARG  56  -1.913   8.193 -10.523
  427    HE   ARG  56           HE       ARG  56  -3.779   8.083  -8.586
  428   1HH1  ARG  56          1HH1      ARG  56  -0.240   8.254  -8.211
  429   2HH1  ARG  56          2HH1      ARG  56  -0.349   9.340  -6.886
  430   1HH2  ARG  56          1HH2      ARG  56  -3.874   8.980  -6.673
  431   2HH2  ARG  56          2HH2      ARG  56  -2.533   9.778  -5.910
  432    H    GLU  57           H        GLU  57  -2.103   1.902  -8.708
  433    HA   GLU  57           HA       GLU  57  -2.864   0.549 -11.147
  434   1HB   GLU  57          1HB       GLU  57  -0.922  -0.084  -9.819
  435   2HB   GLU  57          2HB       GLU  57  -1.841  -0.223  -8.355
  436   1HG   GLU  57          1HG       GLU  57  -2.788  -2.319  -8.949
  437   2HG   GLU  57          2HG       GLU  57  -2.445  -2.094 -10.672
  438    H    LEU  58           H        LEU  58  -4.354  -1.489 -10.650
  439    HA   LEU  58           HA       LEU  58  -6.897  -0.303 -10.014
  440   1HB   LEU  58          1HB       LEU  58  -6.707  -2.061 -11.715
  441   2HB   LEU  58          2HB       LEU  58  -6.113  -3.213 -10.555
  442    HG   LEU  58           HG       LEU  58  -8.264  -3.203  -9.364
  443   1HD1  LEU  58          1HD1      LEU  58  -9.204  -1.219 -11.488
  444   2HD1  LEU  58          2HD1      LEU  58 -10.258  -2.053 -10.349
  445   3HD1  LEU  58          3HD1      LEU  58  -9.068  -0.912  -9.755
  446   1HD2  LEU  58          1HD2      LEU  58  -7.914  -4.826 -11.198
  447   2HD2  LEU  58          2HD2      LEU  58  -9.605  -4.361 -11.083
  448   3HD2  LEU  58          3HD2      LEU  58  -8.593  -3.684 -12.357
  449    H    ARG  59           H        ARG  59  -5.582  -3.282  -8.545
  450    HA   ARG  59           HA       ARG  59  -7.114  -2.805  -6.191
  451   1HB   ARG  59          1HB       ARG  59  -6.462  -4.988  -7.324
  452   2HB   ARG  59          2HB       ARG  59  -4.840  -4.815  -6.731
  453   1HG   ARG  59          1HG       ARG  59  -5.613  -5.086  -4.423
  454   2HG   ARG  59          2HG       ARG  59  -7.289  -5.059  -4.940
  455   1HD   ARG  59          1HD       ARG  59  -6.849  -7.109  -6.388
  456   2HD   ARG  59          2HD       ARG  59  -5.238  -7.236  -5.656
  457    HE   ARG  59           HE       ARG  59  -6.968  -7.021  -3.574
  458   1HH1  ARG  59          1HH1      ARG  59  -6.157  -9.170  -6.206
  459   2HH1  ARG  59          2HH1      ARG  59  -6.827 -10.615  -5.552
  460   1HH2  ARG  59          1HH2      ARG  59  -8.124  -9.028  -2.660
  461   2HH2  ARG  59          2HH2      ARG  59  -7.858 -10.519  -3.423
  462    HA   PRO  61           HA       PRO  61  -4.050  -0.113  -4.271
  463   1HB   PRO  61          1HB       PRO  61  -4.813  -0.302  -1.579
  464   2HB   PRO  61          2HB       PRO  61  -5.719   0.577  -2.792
  465   1HG   PRO  61          1HG       PRO  61  -6.226  -2.213  -1.781
  466   2HG   PRO  61          2HG       PRO  61  -7.395  -0.912  -1.992
  467   1HD   PRO  61          1HD       PRO  61  -7.007  -2.957  -3.835
  468   2HD   PRO  61          2HD       PRO  61  -7.475  -1.338  -4.390
  469    H    TRP  62           H        TRP  62  -1.921  -0.505  -3.691
  470    HA   TRP  62           HA       TRP  62  -1.335  -3.222  -2.567
  471   1HB   TRP  62          1HB       TRP  62   0.553  -3.401  -4.184
  472   2HB   TRP  62          2HB       TRP  62  -0.923  -3.062  -5.057
  473    HD1  TRP  62           HD1      TRP  62  -1.113  -0.774  -6.390
  474    HE1  TRP  62           HE1      TRP  62   0.595   1.078  -6.917
  475    HE3  TRP  62           HE3      TRP  62   2.631  -2.203  -3.273
  476    HZ2  TRP  62           HZ2      TRP  62   3.144   1.888  -5.977
  477    HZ3  TRP  62           HZ3      TRP  62   4.703  -0.867  -3.084
  478    HH2  TRP  62           HH2      TRP  62   4.955   1.181  -4.428
  479    H    CYS  63           H        CYS  63   0.857  -3.445  -1.665
  480    HA   CYS  63           HA       CYS  63   2.288  -1.023  -0.992
  481   1HB   CYS  63          1HB       CYS  63   2.273  -1.639   1.564
  482   2HB   CYS  63          2HB       CYS  63   0.949  -0.732   0.928
  483    H    PHE  64           H        PHE  64   4.273  -1.577   0.265
  484    HA   PHE  64           HA       PHE  64   5.510  -3.756  -1.197
  485   1HB   PHE  64          1HB       PHE  64   6.545  -1.909   1.015
  486   2HB   PHE  64          2HB       PHE  64   7.565  -3.068   0.180
  487    HD1  PHE  64           HD1      PHE  64   7.636  -2.949  -2.405
  488    HD2  PHE  64           HD2      PHE  64   6.342   0.276   0.088
  489    HE1  PHE  64           HE1      PHE  64   8.111  -1.337  -4.222
  490    HE2  PHE  64           HE2      PHE  64   6.871   1.869  -1.709
  491    HZ   PHE  64           HZ       PHE  64   7.776   1.041  -3.870
  492    H    THR  65           H        THR  65   6.532  -5.617  -0.221
  493    HA   THR  65           HA       THR  65   5.053  -6.447   2.234
  494    HB   THR  65           HB       THR  65   5.056  -8.577   1.538
  495    HG1  THR  65           HG1      THR  65   7.390  -8.326   0.003
  496   1HG2  THR  65          1HG2      THR  65   3.983  -7.264  -0.322
  497   2HG2  THR  65          2HG2      THR  65   5.444  -7.356  -1.247
  498   3HG2  THR  65          3HG2      THR  65   4.596  -8.839  -0.826
  499    H    THR  66           H        THR  66   6.321  -7.973   3.721
  500    HA   THR  66           HA       THR  66   8.733  -6.576   4.479
  501    HB   THR  66           HB       THR  66   8.614  -8.413   6.319
  502    HG1  THR  66           HG1      THR  66   7.386  -9.919   5.037
  503   1HG2  THR  66          1HG2      THR  66   6.091  -6.729   5.866
  504   2HG2  THR  66          2HG2      THR  66   6.596  -7.459   7.383
  505   3HG2  THR  66          3HG2      THR  66   7.564  -6.177   6.662
  506    H    ASP  67           H        ASP  67   8.023  -9.126   2.268
  507    HA   ASP  67           HA       ASP  67  10.501 -10.570   2.764
  508   1HB   ASP  67          1HB       ASP  67   8.539 -11.848   2.081
  509   2HB   ASP  67          2HB       ASP  67   8.376 -10.892   0.614
  510    HA   PRO  68           HA       PRO  68  12.711  -7.663   0.076
  511   1HB   PRO  68          1HB       PRO  68  14.789  -9.853   0.011
  512   2HB   PRO  68          2HB       PRO  68  15.004  -8.157   0.400
  513   1HG   PRO  68          1HG       PRO  68  14.987 -10.098   2.340
  514   2HG   PRO  68          2HG       PRO  68  14.276  -8.518   2.640
  515   1HD   PRO  68          1HD       PRO  68  12.818 -11.088   2.009
  516   2HD   PRO  68          2HD       PRO  68  12.387  -9.763   3.112
  517    H    ASN  69           H        ASN  69  11.560 -10.726  -0.903
  518    HA   ASN  69           HA       ASN  69  12.756 -10.443  -3.615
  519   1HB   ASN  69          1HB       ASN  69  11.027 -12.804  -2.683
  520   2HB   ASN  69          2HB       ASN  69  12.050 -12.711  -4.069
  521   1HD2  ASN  69          1HD2      ASN  69  13.495 -13.754  -0.410
  522   2HD2  ASN  69          2HD2      ASN  69  11.861 -13.281  -0.609
  523    H    LYS  70           H        LYS  70   9.701 -10.776  -1.838
  524    HA   LYS  70           HA       LYS  70   8.176 -10.025  -4.240
  525   1HB   LYS  70          1HB       LYS  70   7.417 -11.790  -2.488
  526   2HB   LYS  70          2HB       LYS  70   7.131 -10.497  -1.397
  527   1HG   LYS  70          1HG       LYS  70   5.017 -10.901  -2.419
  528   2HG   LYS  70          2HG       LYS  70   5.563  -9.443  -3.184
  529   1HD   LYS  70          1HD       LYS  70   6.506 -11.832  -4.660
  530   2HD   LYS  70          2HD       LYS  70   4.799 -11.933  -4.402
  531   1HE   LYS  70          1HE       LYS  70   6.209  -9.568  -5.759
  532   2HE   LYS  70          2HE       LYS  70   5.360 -10.875  -6.573
  533   1HZ   LYS  70          1HZ       LYS  70   3.332 -10.150  -5.315
  534   2HZ   LYS  70          2HZ       LYS  70   4.203  -8.783  -4.859
  535   3HZ   LYS  70          3HZ       LYS  70   3.893  -9.066  -6.470
  536    H    ARG  71           H        ARG  71   9.215  -8.066  -4.440
  537    HA   ARG  71           HA       ARG  71   9.453  -6.013  -2.578
  538   1HB   ARG  71          1HB       ARG  71  10.525  -5.855  -4.719
  539   2HB   ARG  71          2HB       ARG  71   9.040  -5.971  -5.605
  540   1HG   ARG  71          1HG       ARG  71   8.375  -3.699  -4.928
  541   2HG   ARG  71          2HG       ARG  71   9.751  -3.560  -3.861
  542   1HD   ARG  71          1HD       ARG  71  11.303  -3.434  -5.678
  543   2HD   ARG  71          2HD       ARG  71  10.151  -4.115  -6.844
  544    HE   ARG  71           HE       ARG  71   8.813  -1.922  -6.237
  545   1HH1  ARG  71          1HH1      ARG  71  12.227  -2.341  -6.955
  546   2HH1  ARG  71          2HH1      ARG  71  12.400  -0.816  -7.736
  547   1HH2  ARG  71          1HH2      ARG  71   8.982   0.043  -7.264
  548   2HH2  ARG  71          2HH2      ARG  71  10.481   0.627  -7.864
  549    H    TRP  72           H        TRP  72   6.936  -5.786  -5.091
  550    HA   TRP  72           HA       TRP  72   5.147  -4.502  -3.102
  551   1HB   TRP  72          1HB       TRP  72   4.007  -3.490  -5.012
  552   2HB   TRP  72          2HB       TRP  72   5.689  -3.077  -5.092
  553    HD1  TRP  72           HD1      TRP  72   7.274  -4.544  -6.940
  554    HE1  TRP  72           HE1      TRP  72   6.574  -5.243  -9.281
  555    HE3  TRP  72           HE3      TRP  72   2.234  -4.345  -6.337
  556    HZ2  TRP  72           HZ2      TRP  72   4.130  -5.614 -10.726
  557    HZ3  TRP  72           HZ3      TRP  72   0.734  -4.821  -8.252
  558    HH2  TRP  72           HH2      TRP  72   1.668  -5.387 -10.429
  559    H    GLU  73           H        GLU  73   2.874  -5.051  -3.049
  560    HA   GLU  73           HA       GLU  73   2.036  -7.236  -4.701
  561   1HB   GLU  73          1HB       GLU  73   3.164  -8.380  -2.586
  562   2HB   GLU  73          2HB       GLU  73   1.935  -7.619  -1.659
  563   1HG   GLU  73          1HG       GLU  73   1.232  -9.935  -2.118
  564   2HG   GLU  73          2HG       GLU  73   0.180  -8.935  -3.085
  565    H    LEU  74           H        LEU  74  -0.108  -7.426  -4.851
  566    HA   LEU  74           HA       LEU  74  -1.562  -4.978  -4.190
  567   1HB   LEU  74          1HB       LEU  74  -2.809  -7.551  -5.246
  568   2HB   LEU  74          2HB       LEU  74  -3.489  -5.955  -5.323
  569    HG   LEU  74           HG       LEU  74  -0.989  -6.819  -6.846
  570   1HD1  LEU  74          1HD1      LEU  74  -2.995  -8.053  -7.611
  571   2HD1  LEU  74          2HD1      LEU  74  -3.850  -6.535  -7.858
  572   3HD1  LEU  74          3HD1      LEU  74  -2.435  -6.918  -8.831
  573   1HD2  LEU  74          1HD2      LEU  74  -2.608  -4.221  -6.928
  574   2HD2  LEU  74          2HD2      LEU  74  -0.880  -4.426  -6.647
  575   3HD2  LEU  74          3HD2      LEU  74  -1.555  -4.740  -8.225
  576    H    CYS  75           H        CYS  75  -3.227  -4.747  -2.663
  577    HA   CYS  75           HA       CYS  75  -3.274  -6.772  -0.514
  578   1HB   CYS  75          1HB       CYS  75  -4.410  -3.947  -0.678
  579   2HB   CYS  75          2HB       CYS  75  -4.447  -4.960   0.749
  580    H    ASP  76           H        ASP  76  -5.213  -7.319   0.546
  581    HA   ASP  76           HA       ASP  76  -7.531  -7.321  -1.352
  582   1HB   ASP  76          1HB       ASP  76  -6.716  -9.607  -0.655
  583   2HB   ASP  76          2HB       ASP  76  -7.069  -9.216   1.019
  584    H    ILE  77           H        ILE  77  -8.822  -5.761  -0.950
  585    HA   ILE  77           HA       ILE  77  -9.149  -4.705   1.808
  586    HB   ILE  77           HB       ILE  77  -8.860  -3.471  -0.928
  587   1HG1  ILE  77          1HG1      ILE  77  -7.615  -1.744   0.115
  588   2HG1  ILE  77          2HG1      ILE  77  -8.200  -2.085   1.695
  589   1HG2  ILE  77          1HG2      ILE  77 -10.646  -2.156   1.126
  590   2HG2  ILE  77          2HG2      ILE  77  -9.996  -1.362  -0.310
  591   3HG2  ILE  77          3HG2      ILE  77 -11.137  -2.680  -0.479
  592   1HD1  ILE  77          1HD1      ILE  77  -6.444  -3.993   0.122
  593   2HD1  ILE  77          2HD1      ILE  77  -5.848  -2.846   1.338
  594   3HD1  ILE  77          3HD1      ILE  77  -6.901  -4.164   1.818
  595    HA   PRO  78           HA       PRO  78 -13.406  -5.959   1.236
  596   1HB   PRO  78          1HB       PRO  78 -14.657  -4.388   3.155
  597   2HB   PRO  78          2HB       PRO  78 -13.675  -5.798   3.515
  598   1HG   PRO  78          1HG       PRO  78 -12.842  -2.904   3.606
  599   2HG   PRO  78          2HG       PRO  78 -12.497  -4.141   4.809
  600   1HD   PRO  78          1HD       PRO  78 -10.682  -3.363   2.873
  601   2HD   PRO  78          2HD       PRO  78 -10.702  -5.019   3.481
  602    H    ARG  79           H        ARG  79 -14.490  -5.439  -0.436
  603    HA   ARG  79           HA       ARG  79 -14.597  -2.728  -1.476
  604   1HB   ARG  79          1HB       ARG  79 -14.665  -5.025  -2.741
  605   2HB   ARG  79          2HB       ARG  79 -16.359  -5.088  -2.386
  606   1HG   ARG  79          1HG       ARG  79 -14.930  -2.832  -3.879
  607   2HG   ARG  79          2HG       ARG  79 -15.693  -4.195  -4.666
  608   1HD   ARG  79          1HD       ARG  79 -17.909  -3.451  -4.123
  609   2HD   ARG  79          2HD       ARG  79 -17.288  -2.234  -2.979
  610    HE   ARG  79           HE       ARG  79 -16.163  -1.753  -5.489
  611   1HH1  ARG  79          1HH1      ARG  79 -19.198  -1.498  -3.665
  612   2HH1  ARG  79          2HH1      ARG  79 -19.876  -0.302  -4.698
  613   1HH2  ARG  79          1HH2      ARG  79 -16.894  -0.055  -6.635
  614   2HH2  ARG  79          2HH2      ARG  79 -18.505   0.583  -6.505
  615    H    CYS  80           H        CYS  80 -16.226  -1.224  -1.109
  616    HA   CYS  80           HA       CYS  80 -18.146  -1.673   0.979
  617   1HB   CYS  80          1HB       CYS  80 -18.296   0.380  -1.300
  618   2HB   CYS  80          2HB       CYS  80 -19.233   0.437   0.172
  619    H    THR  81           H        THR  81 -19.670  -3.230   0.824
  620    HA   THR  81           HA       THR  81 -21.329  -3.431  -1.575
  621    HB   THR  81           HB       THR  81 -20.894  -5.998  -1.382
  622    HG1  THR  81           HG1      THR  81 -18.627  -5.098   0.056
  623   1HG2  THR  81          1HG2      THR  81 -19.885  -4.680  -3.278
  624   2HG2  THR  81          2HG2      THR  81 -18.492  -4.323  -2.280
  625   3HG2  THR  81          3HG2      THR  81 -18.814  -5.973  -2.747
  626    H1   AMH  84           H1       AMH  84   6.177  -1.438  -9.071
  627   1H2   AMH  84          1H2       AMH  84   5.930   0.925  -9.962
  628   2H2   AMH  84          2H2       AMH  84   4.724   1.221  -8.685
  629   1H3   AMH  84          1H3       AMH  84   3.744   0.590 -10.965
  630   2H3   AMH  84          2H3       AMH  84   4.592  -0.942 -10.793
  631    H4   AMH  84           H4       AMH  84   2.395   0.094  -8.920
  632   1H5   AMH  84          1H5       AMH  84   2.660  -2.031  -7.752
  633   2H5   AMH  84          2H5       AMH  84   3.823  -2.573  -8.959
  634   1H6   AMH  84          1H6       AMH  84   5.020  -1.943  -6.926
  635   2H6   AMH  84          2H6       AMH  84   4.312  -0.366  -6.948
  636   1H7   AMH  84          1H7       AMH  84   1.350  -2.197  -9.743
  637   2H7   AMH  84          2H7       AMH  84   1.204  -0.738 -10.753
  638   1HN   AMH  84          1HN       AMH  84   3.409  -2.627 -11.098
  639   2HN   AMH  84          2HN       AMH  84   1.963  -2.856 -11.813
  640   3HN   AMH  84          3HN       AMH  84   2.829  -1.518 -12.149
  Start of MODEL   13
    1   1H    THR  -4          1H        THR  -4 -13.889   1.978   6.627
    2   2H    THR  -4          2H        THR  -4 -13.146   0.900   7.643
    3   3H    THR  -4          3H        THR  -4 -14.770   0.808   7.391
    4    HA   THR  -4           HA       THR  -4 -15.295   2.325   8.780
    5    HB   THR  -4           HB       THR  -4 -13.806   2.507  10.692
    6    HG1  THR  -4           HG1      THR  -4 -11.614   1.419   9.305
    7   1HG2  THR  -4          1HG2      THR  -4 -14.846   0.301  10.434
    8   2HG2  THR  -4          2HG2      THR  -4 -13.473  -0.295   9.512
    9   3HG2  THR  -4          3HG2      THR  -4 -13.269   0.170  11.195
   10    H    SER  -3           H        SER  -3 -13.236   4.361   9.966
   11    HA   SER  -3           HA       SER  -3 -13.862   6.491   8.403
   12   1HB   SER  -3          1HB       SER  -3 -11.280   6.307  10.023
   13   2HB   SER  -3          2HB       SER  -3 -12.437   7.641   9.941
   14    HG   SER  -3           HG       SER  -3 -12.753   6.400  11.890
   15    H    GLU  -2           H        GLU  -2 -13.239   7.132   6.490
   16    HA   GLU  -2           HA       GLU  -2 -12.184   7.311   4.486
   17   1HB   GLU  -2          1HB       GLU  -2  -9.574   7.078   6.071
   18   2HB   GLU  -2          2HB       GLU  -2  -9.792   7.852   4.537
   19   1HG   GLU  -2          1HG       GLU  -2  -9.590   9.602   6.131
   20   2HG   GLU  -2          2HG       GLU  -2 -11.301   9.565   5.755
   21    H    GLU  -1           H        GLU  -1 -12.754   4.596   5.522
   22    HA   GLU  -1           HA       GLU  -1 -10.712   3.056   4.014
   23   1HB   GLU  -1          1HB       GLU  -1 -10.132   3.146   6.401
   24   2HB   GLU  -1          2HB       GLU  -1 -11.730   2.695   6.850
   25   1HG   GLU  -1          1HG       GLU  -1 -10.944   0.519   5.203
   26   2HG   GLU  -1          2HG       GLU  -1  -9.454   1.016   5.951
   27    H    CYS   1           H        CYS   1 -11.694   2.338   2.459
   28    HA   CYS   1           HA       CYS   1 -12.822  -0.016   2.524
   29   1HB   CYS   1          1HB       CYS   1 -15.154   0.146   1.852
   30   2HB   CYS   1          2HB       CYS   1 -14.976   0.984   3.349
   31    H    MET   2           H        MET   2 -13.614  -0.604   0.202
   32    HA   MET   2           HA       MET   2 -12.168   1.123  -1.788
   33   1HB   MET   2          1HB       MET   2 -11.914  -1.781  -1.157
   34   2HB   MET   2          2HB       MET   2 -12.378  -1.501  -2.851
   35   1HG   MET   2          1HG       MET   2 -10.604  -0.280  -3.417
   36   2HG   MET   2          2HG       MET   2 -10.061   0.054  -1.794
   37   1HE   MET   2          1HE       MET   2 -11.173  -3.135  -3.822
   38   2HE   MET   2          2HE       MET   2  -9.966  -4.323  -3.340
   39   3HE   MET   2          3HE       MET   2 -11.164  -3.744  -2.159
   40    H    HIS   3           H        HIS   3 -13.345   2.031  -3.141
   41    HA   HIS   3           HA       HIS   3 -15.986   1.027  -3.922
   42   1HB   HIS   3          1HB       HIS   3 -14.066   3.077  -5.225
   43   2HB   HIS   3          2HB       HIS   3 -15.630   2.634  -5.884
   44    HD1  HIS   3           HD1      HIS   3 -15.419   3.023  -2.137
   45    HD2  HIS   3           HD2      HIS   3 -16.597   5.198  -5.532
   46    HE1  HIS   3           HE1      HIS   3 -16.718   5.029  -1.324
   47    H    GLY   4           H        GLY   4 -12.664   0.839  -4.902
   48   1HA   GLY   4          1HA       GLY   4 -12.969  -1.654  -6.257
   49   2HA   GLY   4          2HA       GLY   4 -12.775  -0.332  -7.437
   50    H    SER   5           H        SER   5 -10.900   1.304  -6.626
   51    HA   SER   5           HA       SER   5  -8.540  -0.422  -6.138
   52   1HB   SER   5          1HB       SER   5  -8.658   2.439  -7.260
   53   2HB   SER   5          2HB       SER   5  -7.309   1.332  -7.396
   54    HG   SER   5           HG       SER   5  -8.729  -0.014  -8.657
   55    H    GLY   6           H        GLY   6 -10.378   1.795  -4.408
   56   1HA   GLY   6          1HA       GLY   6  -9.983   2.677  -2.290
   57   2HA   GLY   6          2HA       GLY   6  -8.546   1.645  -2.214
   58    H    GLU   7           H        GLU   7  -9.052   3.912  -4.720
   59    HA   GLU   7           HA       GLU   7  -6.544   5.161  -4.370
   60   1HB   GLU   7          1HB       GLU   7  -8.568   5.334  -6.313
   61   2HB   GLU   7          2HB       GLU   7  -8.447   6.977  -5.772
   62   1HG   GLU   7          1HG       GLU   7  -6.074   5.260  -6.703
   63   2HG   GLU   7          2HG       GLU   7  -6.947   6.374  -7.725
   64    H    ASN   8           H        ASN   8  -9.682   6.128  -3.147
   65    HA   ASN   8           HA       ASN   8  -8.487   8.498  -1.840
   66   1HB   ASN   8          1HB       ASN   8 -10.766   8.379  -3.108
   67   2HB   ASN   8          2HB       ASN   8 -11.436   7.636  -1.692
   68   1HD2  ASN   8          1HD2      ASN   8 -11.053  10.761   0.221
   69   2HD2  ASN   8          2HD2      ASN   8 -10.699   9.081   0.451
   70    H    TYR   9           H        TYR   9  -8.561   5.300  -1.106
   71    HA   TYR   9           HA       TYR   9  -9.459   5.438   1.657
   72   1HB   TYR   9          1HB       TYR   9  -9.819   3.285   0.949
   73   2HB   TYR   9          2HB       TYR   9  -8.630   3.347  -0.295
   74    HD1  TYR   9           HD1      TYR   9  -8.841   3.298   3.388
   75    HD2  TYR   9           HD2      TYR   9  -6.725   1.983  -0.073
   76    HE1  TYR   9           HE1      TYR   9  -7.531   1.835   4.788
   77    HE2  TYR   9           HE2      TYR   9  -5.287   0.627   1.314
   78    HH   TYR   9           HH       TYR   9  -4.879  -0.198   3.576
   79    H    ASP  10           H        ASP  10  -8.183   5.962   3.445
   80    HA   ASP  10           HA       ASP  10  -5.734   7.283   2.652
   81   1HB   ASP  10          1HB       ASP  10  -5.754   8.271   4.817
   82   2HB   ASP  10          2HB       ASP  10  -7.426   8.164   4.340
   83    H    GLY  11           H        GLY  11  -6.450   4.410   4.565
   84   1HA   GLY  11          1HA       GLY  11  -4.508   2.713   4.271
   85   2HA   GLY  11          2HA       GLY  11  -3.522   3.981   4.979
   86    H    LYS  12           H        LYS  12  -5.721   1.511   5.579
   87    HA   LYS  12           HA       LYS  12  -5.239   1.749   8.505
   88   1HB   LYS  12          1HB       LYS  12  -7.994   0.953   7.520
   89   2HB   LYS  12          2HB       LYS  12  -7.522   1.155   9.154
   90   1HG   LYS  12          1HG       LYS  12  -7.768   3.434   7.115
   91   2HG   LYS  12          2HG       LYS  12  -8.969   2.945   8.279
   92   1HD   LYS  12          1HD       LYS  12  -7.202   3.399  10.117
   93   2HD   LYS  12          2HD       LYS  12  -6.303   4.247   8.894
   94   1HE   LYS  12          1HE       LYS  12  -9.111   4.921   9.912
   95   2HE   LYS  12          2HE       LYS  12  -7.642   5.861  10.128
   96   1HZ   LYS  12          1HZ       LYS  12  -7.663   6.127   7.630
   97   2HZ   LYS  12          2HZ       LYS  12  -9.221   5.503   7.673
   98   3HZ   LYS  12          3HZ       LYS  12  -8.886   6.921   8.473
   99    H    ILE  13           H        ILE  13  -5.608  -0.297   5.664
  100    HA   ILE  13           HA       ILE  13  -5.114  -2.711   7.262
  101    HB   ILE  13           HB       ILE  13  -6.320  -2.541   4.453
  102   1HG1  ILE  13          1HG1      ILE  13  -8.445  -3.395   5.873
  103   2HG1  ILE  13          2HG1      ILE  13  -7.732  -2.409   7.111
  104   1HG2  ILE  13          1HG2      ILE  13  -6.136  -4.875   6.403
  105   2HG2  ILE  13          2HG2      ILE  13  -6.999  -4.897   4.868
  106   3HG2  ILE  13          3HG2      ILE  13  -5.265  -4.697   4.876
  107   1HD1  ILE  13          1HD1      ILE  13  -8.388  -1.498   4.251
  108   2HD1  ILE  13          2HD1      ILE  13  -9.419  -1.247   5.647
  109   3HD1  ILE  13          3HD1      ILE  13  -7.849  -0.441   5.543
  110    H    SER  14           H        SER  14  -3.342  -3.896   6.650
  111    HA   SER  14           HA       SER  14  -1.757  -2.933   4.335
  112   1HB   SER  14          1HB       SER  14  -1.049  -2.089   6.818
  113   2HB   SER  14          2HB       SER  14  -0.495  -3.707   7.010
  114    HG   SER  14           HG       SER  14   0.423  -2.018   4.921
  115    H    LYS  15           H        LYS  15  -3.473  -5.419   4.921
  116    HA   LYS  15           HA       LYS  15  -1.295  -7.444   4.913
  117   1HB   LYS  15          1HB       LYS  15  -3.692  -7.418   6.232
  118   2HB   LYS  15          2HB       LYS  15  -4.153  -8.365   4.854
  119   1HG   LYS  15          1HG       LYS  15  -1.770  -8.870   6.717
  120   2HG   LYS  15          2HG       LYS  15  -3.295  -9.692   6.847
  121   1HD   LYS  15          1HD       LYS  15  -1.501  -9.887   4.374
  122   2HD   LYS  15          2HD       LYS  15  -1.402 -10.979   5.717
  123   1HE   LYS  15          1HE       LYS  15  -3.709 -11.769   5.364
  124   2HE   LYS  15          2HE       LYS  15  -3.959 -10.584   4.082
  125   1HZ   LYS  15          1HZ       LYS  15  -1.855 -12.661   3.949
  126   2HZ   LYS  15          2HZ       LYS  15  -3.417 -12.814   3.265
  127   3HZ   LYS  15          3HZ       LYS  15  -2.358 -11.598   2.767
  128    H    THR  16           H        THR  16  -0.510  -8.216   3.095
  129    HA   THR  16           HA       THR  16  -1.676  -7.470   0.640
  130    HB   THR  16           HB       THR  16   0.019  -8.520  -0.482
  131    HG1  THR  16           HG1      THR  16   1.201 -10.205   0.345
  132   1HG2  THR  16          1HG2      THR  16   1.168  -7.422   2.140
  133   2HG2  THR  16          2HG2      THR  16   2.101  -7.717   0.697
  134   3HG2  THR  16          3HG2      THR  16   0.804  -6.527   0.665
  135    H    MET  17           H        MET  17  -2.797  -8.533  -0.750
  136    HA   MET  17           HA       MET  17  -4.825 -10.146   0.091
  137   1HB   MET  17          1HB       MET  17  -5.565 -10.198  -2.203
  138   2HB   MET  17          2HB       MET  17  -4.775  -8.677  -1.964
  139   1HG   MET  17          1HG       MET  17  -2.729  -9.573  -3.173
  140   2HG   MET  17          2HG       MET  17  -3.550 -11.096  -3.381
  141   1HE   MET  17          1HE       MET  17  -5.424 -11.662  -4.657
  142   2HE   MET  17          2HE       MET  17  -6.650 -10.442  -4.276
  143   3HE   MET  17          3HE       MET  17  -6.149 -10.729  -5.960
  144    H    SER  18           H        SER  18  -1.797 -11.168  -1.501
  145    HA   SER  18           HA       SER  18  -2.631 -14.004  -1.134
  146   1HB   SER  18          1HB       SER  18  -0.732 -14.171  -3.059
  147   2HB   SER  18          2HB       SER  18  -2.390 -13.775  -3.424
  148    HG   SER  18           HG       SER  18  -0.427 -11.787  -2.999
  149    H    GLY  19           H        GLY  19  -1.083 -11.890   0.689
  150   1HA   GLY  19          1HA       GLY  19   0.762 -14.020   1.522
  151   2HA   GLY  19          2HA       GLY  19   1.543 -12.612   0.848
  152    H    LEU  20           H        LEU  20   2.123 -11.118   2.409
  153    HA   LEU  20           HA       LEU  20   1.487 -11.850   5.165
  154   1HB   LEU  20          1HB       LEU  20   3.802 -10.125   4.111
  155   2HB   LEU  20          2HB       LEU  20   3.726 -10.991   5.604
  156    HG   LEU  20           HG       LEU  20   3.544 -13.100   3.865
  157   1HD1  LEU  20          1HD1      LEU  20   5.236 -11.020   2.370
  158   2HD1  LEU  20          2HD1      LEU  20   5.123 -12.724   1.965
  159   3HD1  LEU  20          3HD1      LEU  20   3.730 -11.691   1.770
  160   1HD2  LEU  20          1HD2      LEU  20   5.219 -12.863   5.682
  161   2HD2  LEU  20          2HD2      LEU  20   5.991 -13.400   4.195
  162   3HD2  LEU  20          3HD2      LEU  20   6.138 -11.721   4.704
  163    H    GLU  21           H        GLU  21   2.077 -10.065   6.748
  164    HA   GLU  21           HA       GLU  21   0.493  -7.671   6.233
  165   1HB   GLU  21          1HB       GLU  21   0.590  -8.643   8.536
  166   2HB   GLU  21          2HB       GLU  21   2.330  -8.502   8.545
  167   1HG   GLU  21          1HG       GLU  21   1.436  -6.727   9.907
  168   2HG   GLU  21          2HG       GLU  21   2.134  -5.990   8.492
  169    H    CYS  22           H        CYS  22   1.303  -5.759   5.570
  170    HA   CYS  22           HA       CYS  22   3.931  -5.851   4.342
  171   1HB   CYS  22          1HB       CYS  22   1.605  -3.997   4.336
  172   2HB   CYS  22          2HB       CYS  22   3.133  -3.316   3.808
  173    H    GLN  23           H        GLN  23   5.270  -4.212   4.260
  174    HA   GLN  23           HA       GLN  23   6.542  -3.516   6.790
  175   1HB   GLN  23          1HB       GLN  23   7.785  -4.786   5.119
  176   2HB   GLN  23          2HB       GLN  23   7.185  -3.815   3.820
  177   1HG   GLN  23          1HG       GLN  23   8.820  -2.145   5.634
  178   2HG   GLN  23          2HG       GLN  23   9.692  -3.562   5.082
  179   1HE2  GLN  23          1HE2      GLN  23   8.576  -0.630   2.476
  180   2HE2  GLN  23          2HE2      GLN  23   7.936  -0.669   4.057
  181    H    ALA  24           H        ALA  24   6.896  -1.461   7.398
  182    HA   ALA  24           HA       ALA  24   5.026   0.475   6.581
  183   1HB   ALA  24          1HB       ALA  24   5.984   0.380   8.857
  184   2HB   ALA  24          2HB       ALA  24   7.573   0.845   8.237
  185   3HB   ALA  24          3HB       ALA  24   6.222   1.985   8.179
  186    H    TRP  25           H        TRP  25   5.206   2.484   5.611
  187    HA   TRP  25           HA       TRP  25   6.722   2.395   3.196
  188   1HB   TRP  25          1HB       TRP  25   5.029   4.664   4.393
  189   2HB   TRP  25          2HB       TRP  25   5.693   4.681   2.767
  190    HD1  TRP  25           HD1      TRP  25   2.900   3.011   4.804
  191    HE1  TRP  25           HE1      TRP  25   1.289   1.892   3.166
  192    HE3  TRP  25           HE3      TRP  25   5.613   3.514   0.524
  193    HZ2  TRP  25           HZ2      TRP  25   1.182   1.327   0.401
  194    HZ3  TRP  25           HZ3      TRP  25   4.702   2.678  -1.628
  195    HH2  TRP  25           HH2      TRP  25   2.475   1.587  -1.684
  196    H    ASP  26           H        ASP  26   8.120   3.259   6.151
  197    HA   ASP  26           HA       ASP  26   9.485   5.576   4.911
  198   1HB   ASP  26          1HB       ASP  26   8.755   5.795   7.281
  199   2HB   ASP  26          2HB       ASP  26   9.879   4.535   7.744
  200    H    SER  27           H        SER  27  11.845   4.391   6.807
  201    HA   SER  27           HA       SER  27  12.814   2.421   4.822
  202   1HB   SER  27          1HB       SER  27  13.817   4.745   4.418
  203   2HB   SER  27          2HB       SER  27  14.449   4.720   6.071
  204    HG   SER  27           HG       SER  27  16.068   3.947   4.607
  205    H    GLN  28           H        GLN  28  13.153   0.690   5.681
  206    HA   GLN  28           HA       GLN  28  14.237   0.461   8.409
  207   1HB   GLN  28          1HB       GLN  28  12.334  -1.102   9.036
  208   2HB   GLN  28          2HB       GLN  28  11.938   0.578   8.920
  209   1HG   GLN  28          1HG       GLN  28  10.980  -1.598   6.990
  210   2HG   GLN  28          2HG       GLN  28  10.109  -0.615   8.091
  211   1HE2  GLN  28          1HE2      GLN  28  10.515   0.805   4.422
  212   2HE2  GLN  28          2HE2      GLN  28  11.078  -0.775   4.800
  213    H    SER  29           H        SER  29  12.765  -1.456   5.869
  214    HA   SER  29           HA       SER  29  14.971  -2.861   4.995
  215   1HB   SER  29          1HB       SER  29  13.130  -4.785   6.506
  216   2HB   SER  29          2HB       SER  29  14.816  -5.006   6.130
  217    HG   SER  29           HG       SER  29  15.116  -3.297   7.826
  218    HA   PRO  30           HA       PRO  30  14.625  -5.515   4.102
  219   1HB   PRO  30          1HB       PRO  30  14.045  -5.726   1.170
  220   2HB   PRO  30          2HB       PRO  30  14.338  -7.010   2.333
  221   1HG   PRO  30          1HG       PRO  30  11.823  -6.503   1.433
  222   2HG   PRO  30          2HG       PRO  30  12.080  -6.893   3.129
  223   1HD   PRO  30          1HD       PRO  30  11.691  -4.132   1.924
  224   2HD   PRO  30          2HD       PRO  30  10.968  -4.817   3.394
  225    H    HIS  31           H        HIS  31  13.979  -2.666   2.180
  226    HA   HIS  31           HA       HIS  31  16.702  -1.856   2.284
  227   1HB   HIS  31          1HB       HIS  31  16.678  -3.402   0.200
  228   2HB   HIS  31          2HB       HIS  31  15.437  -2.391  -0.505
  229    HD1  HIS  31           HD1      HIS  31  16.301   0.133  -1.235
  230    HD2  HIS  31           HD2      HIS  31  19.258  -2.515   0.190
  231    HE1  HIS  31           HE1      HIS  31  18.532   1.109  -1.839
  232    H    ALA  32           H        ALA  32  16.834   0.378   1.415
  233    HA   ALA  32           HA       ALA  32  14.448   1.880   2.043
  234   1HB   ALA  32          1HB       ALA  32  16.791   2.776   2.391
  235   2HB   ALA  32          2HB       ALA  32  17.054   2.778   0.653
  236   3HB   ALA  32          3HB       ALA  32  15.851   3.854   1.361
  237    H    HIS  33           H        HIS  33  12.803   1.723   0.751
  238    HA   HIS  33           HA       HIS  33  13.085   1.517  -2.198
  239   1HB   HIS  33          1HB       HIS  33  10.614   0.786  -2.036
  240   2HB   HIS  33          2HB       HIS  33  11.717  -0.211  -1.120
  241    HD1  HIS  33           HD1      HIS  33   9.715   2.969  -0.283
  242    HD2  HIS  33           HD2      HIS  33  10.985  -0.676   1.401
  243    HE1  HIS  33           HE1      HIS  33   8.836   2.901   2.040
  244    H    GLY  34           H        GLY  34  10.765   2.612  -3.062
  245   1HA   GLY  34          1HA       GLY  34  11.250   5.513  -2.623
  246   2HA   GLY  34          2HA       GLY  34  10.347   4.759  -3.955
  247    H    TYR  36           H        TYR  36   8.964   6.691  -3.140
  248    HA   TYR  36           HA       TYR  36   7.062   7.469  -2.226
  249   1HB   TYR  36          1HB       TYR  36   6.098   4.640  -1.651
  250   2HB   TYR  36          2HB       TYR  36   5.141   6.019  -2.111
  251    HD1  TYR  36           HD1      TYR  36   5.134   6.702  -4.603
  252    HD2  TYR  36           HD2      TYR  36   7.216   3.302  -3.135
  253    HE1  TYR  36           HE1      TYR  36   5.229   5.764  -6.883
  254    HE2  TYR  36           HE2      TYR  36   7.390   2.396  -5.345
  255    HH   TYR  36           HH       TYR  36   6.674   2.615  -7.589
  256    H    ILE  37           H        ILE  37   8.801   7.921  -0.511
  257    HA   ILE  37           HA       ILE  37   8.142   6.596   2.060
  258    HB   ILE  37           HB       ILE  37  10.555   8.047   1.009
  259   1HG1  ILE  37          1HG1      ILE  37  10.283   5.428   2.528
  260   2HG1  ILE  37          2HG1      ILE  37  10.248   5.550   0.796
  261   1HG2  ILE  37          1HG2      ILE  37   9.914   7.675   3.968
  262   2HG2  ILE  37          2HG2      ILE  37  11.540   7.965   3.411
  263   3HG2  ILE  37          3HG2      ILE  37  10.301   9.177   3.148
  264   1HD1  ILE  37          1HD1      ILE  37  12.584   6.458   0.783
  265   2HD1  ILE  37          2HD1      ILE  37  12.646   6.299   2.552
  266   3HD1  ILE  37          3HD1      ILE  37  12.476   4.881   1.543
  267    HA   PRO  38           HA       PRO  38   5.426   9.966   2.751
  268   1HB   PRO  38          1HB       PRO  38   5.293   9.864   5.605
  269   2HB   PRO  38          2HB       PRO  38   4.322   8.957   4.485
  270   1HG   PRO  38          1HG       PRO  38   6.753   8.061   5.987
  271   2HG   PRO  38          2HG       PRO  38   5.371   7.092   5.523
  272   1HD   PRO  38          1HD       PRO  38   7.782   6.975   4.217
  273   2HD   PRO  38          2HD       PRO  38   6.251   6.687   3.363
  274    H    SER  39           H        SER  39   8.521   9.874   4.367
  275    HA   SER  39           HA       SER  39   8.567  12.386   5.496
  276   1HB   SER  39          1HB       SER  39  11.027  10.919   4.445
  277   2HB   SER  39          2HB       SER  39  10.793  11.716   6.011
  278    HG   SER  39           HG       SER  39  10.506   9.296   6.108
  279    H    LYS  40           H        LYS  40   8.466  11.616   2.199
  280    HA   LYS  40           HA       LYS  40   9.731  14.198   1.376
  281   1HB   LYS  40          1HB       LYS  40   9.008  11.619  -0.173
  282   2HB   LYS  40          2HB       LYS  40   9.539  13.074  -0.948
  283   1HG   LYS  40          1HG       LYS  40  11.400  11.708  -0.921
  284   2HG   LYS  40          2HG       LYS  40  11.755  12.929   0.285
  285   1HD   LYS  40          1HD       LYS  40  11.327  11.337   2.092
  286   2HD   LYS  40          2HD       LYS  40  10.595  10.201   0.984
  287   1HE   LYS  40          1HE       LYS  40  12.815   9.901  -0.174
  288   2HE   LYS  40          2HE       LYS  40  13.549  11.030   0.952
  289   1HZ   LYS  40          1HZ       LYS  40  12.319   8.439   1.672
  290   2HZ   LYS  40          2HZ       LYS  40  13.974   8.769   1.527
  291   3HZ   LYS  40          3HZ       LYS  40  13.064   9.523   2.739
  292    H    PHE  41           H        PHE  41   6.773  13.102   2.323
  293    HA   PHE  41           HA       PHE  41   5.370  14.538   0.127
  294   1HB   PHE  41          1HB       PHE  41   4.467  12.201   1.848
  295   2HB   PHE  41          2HB       PHE  41   3.398  13.118   0.817
  296    HD1  PHE  41           HD1      PHE  41   6.215  10.794   0.820
  297    HD2  PHE  41           HD2      PHE  41   3.534  13.022  -1.616
  298    HE1  PHE  41           HE1      PHE  41   6.851   9.425  -1.102
  299    HE2  PHE  41           HE2      PHE  41   4.151  11.641  -3.558
  300    HZ   PHE  41           HZ       PHE  41   5.818   9.840  -3.320
  301    HA   PRO  42           HA       PRO  42   3.939  17.097   3.662
  302   1HB   PRO  42          1HB       PRO  42   2.944  19.154   2.065
  303   2HB   PRO  42          2HB       PRO  42   4.605  19.054   2.621
  304   1HG   PRO  42          1HG       PRO  42   3.531  18.249  -0.075
  305   2HG   PRO  42          2HG       PRO  42   5.004  19.145   0.272
  306   1HD   PRO  42          1HD       PRO  42   4.980  16.454  -0.288
  307   2HD   PRO  42          2HD       PRO  42   6.185  17.126   0.815
  308    H    ASN  43           H        ASN  43   2.716  15.495   0.950
  309    HA   ASN  43           HA       ASN  43  -0.095  15.873   1.343
  310   1HB   ASN  43          1HB       ASN  43   1.203  15.026  -0.774
  311   2HB   ASN  43          2HB       ASN  43   1.355  13.481   0.026
  312   1HD2  ASN  43          1HD2      ASN  43  -2.145  14.660  -1.691
  313   2HD2  ASN  43          2HD2      ASN  43  -0.819  15.756  -1.560
  314    H    LYS  44           H        LYS  44  -1.108  13.171   1.597
  315    HA   LYS  44           HA       LYS  44   0.217  12.001   3.897
  316   1HB   LYS  44          1HB       LYS  44  -2.100  11.971   5.154
  317   2HB   LYS  44          2HB       LYS  44  -0.976  13.247   5.388
  318   1HG   LYS  44          1HG       LYS  44  -3.238  13.498   3.352
  319   2HG   LYS  44          2HG       LYS  44  -3.481  13.802   5.039
  320   1HD   LYS  44          1HD       LYS  44  -1.737  15.460   3.167
  321   2HD   LYS  44          2HD       LYS  44  -3.176  15.893   3.999
  322   1HE   LYS  44          1HE       LYS  44  -1.751  16.880   5.482
  323   2HE   LYS  44          2HE       LYS  44  -1.718  15.285   6.201
  324   1HZ   LYS  44          1HZ       LYS  44   0.351  14.894   4.817
  325   2HZ   LYS  44          2HZ       LYS  44   0.278  16.493   4.371
  326   3HZ   LYS  44          3HZ       LYS  44   0.481  16.105   5.993
  327    H    ASN  45           H        ASN  45  -0.008  11.383   1.297
  328    HA   ASN  45           HA       ASN  45  -2.004   9.457   0.754
  329   1HB   ASN  45          1HB       ASN  45  -0.431   8.729  -1.102
  330   2HB   ASN  45          2HB       ASN  45  -0.842  10.440  -1.112
  331   1HD2  ASN  45          1HD2      ASN  45   2.798  10.179  -1.751
  332   2HD2  ASN  45          2HD2      ASN  45   1.408   9.603  -2.584
  333    H    LEU  46           H        LEU  46   1.497   8.771   1.316
  334    HA   LEU  46           HA       LEU  46   0.911   6.058   2.041
  335   1HB   LEU  46          1HB       LEU  46   3.399   7.701   2.766
  336   2HB   LEU  46          2HB       LEU  46   3.244   5.988   2.960
  337    HG   LEU  46           HG       LEU  46   4.336   5.883   1.055
  338   1HD1  LEU  46          1HD1      LEU  46   2.109   4.962   0.402
  339   2HD1  LEU  46          2HD1      LEU  46   1.685   6.519  -0.310
  340   3HD1  LEU  46          3HD1      LEU  46   3.027   5.584  -0.956
  341   1HD2  LEU  46          1HD2      LEU  46   3.352   8.624   0.210
  342   2HD2  LEU  46          2HD2      LEU  46   4.908   8.219   0.918
  343   3HD2  LEU  46          3HD2      LEU  46   4.498   7.641  -0.687
  344    H    LYS  47           H        LYS  47   1.701   5.181   4.281
  345    HA   LYS  47           HA       LYS  47   0.934   6.980   6.411
  346   1HB   LYS  47          1HB       LYS  47  -1.134   5.752   5.193
  347   2HB   LYS  47          2HB       LYS  47  -0.752   4.419   6.170
  348   1HG   LYS  47          1HG       LYS  47  -1.544   5.564   8.106
  349   2HG   LYS  47          2HG       LYS  47  -0.882   7.087   7.606
  350   1HD   LYS  47          1HD       LYS  47  -3.356   5.898   6.265
  351   2HD   LYS  47          2HD       LYS  47  -3.431   6.900   7.671
  352   1HE   LYS  47          1HE       LYS  47  -3.843   8.338   5.828
  353   2HE   LYS  47          2HE       LYS  47  -2.272   8.781   6.443
  354   1HZ   LYS  47          1HZ       LYS  47  -2.702   7.093   4.036
  355   2HZ   LYS  47          2HZ       LYS  47  -2.430   8.755   4.028
  356   3HZ   LYS  47          3HZ       LYS  47  -1.233   7.753   4.574
  357    H    LYS  48           H        LYS  48   0.415   4.297   7.982
  358    HA   LYS  48           HA       LYS  48   3.162   4.069   8.811
  359   1HB   LYS  48          1HB       LYS  48   0.879   2.107   9.442
  360   2HB   LYS  48          2HB       LYS  48   2.386   2.197  10.284
  361   1HG   LYS  48          1HG       LYS  48   0.187   4.312  10.167
  362   2HG   LYS  48          2HG       LYS  48   0.560   3.305  11.524
  363   1HD   LYS  48          1HD       LYS  48   2.411   5.488  10.402
  364   2HD   LYS  48          2HD       LYS  48   1.325   5.659  11.739
  365   1HE   LYS  48          1HE       LYS  48   3.399   5.291  12.782
  366   2HE   LYS  48          2HE       LYS  48   2.571   3.754  12.943
  367   1HZ   LYS  48          1HZ       LYS  48   4.608   4.430  10.910
  368   2HZ   LYS  48          2HZ       LYS  48   4.850   3.509  12.311
  369   3HZ   LYS  48          3HZ       LYS  48   3.838   2.929  11.085
  370    H    ASN  49           H        ASN  49   1.278   1.257   7.841
  371    HA   ASN  49           HA       ASN  49   3.153   0.593   5.627
  372   1HB   ASN  49          1HB       ASN  49   3.005  -1.796   6.349
  373   2HB   ASN  49          2HB       ASN  49   3.677  -0.829   7.655
  374   1HD2  ASN  49          1HD2      ASN  49   1.083  -3.258   8.907
  375   2HD2  ASN  49          2HD2      ASN  49   2.515  -3.370   7.985
  376    H    TYR  50           H        TYR  50   0.089   1.093   6.744
  377    HA   TYR  50           HA       TYR  50  -1.568  -0.491   5.295
  378   1HB   TYR  50          1HB       TYR  50  -2.051   2.488   5.656
  379   2HB   TYR  50          2HB       TYR  50  -3.251   1.216   5.515
  380    HD1  TYR  50           HD1      TYR  50  -2.627  -0.809   7.397
  381    HD2  TYR  50           HD2      TYR  50  -1.988   3.389   7.793
  382    HE1  TYR  50           HE1      TYR  50  -2.682  -1.062   9.782
  383    HE2  TYR  50           HE2      TYR  50  -2.040   3.156  10.236
  384    HH   TYR  50           HH       TYR  50  -2.374   0.070  11.877
  385    H    CYS  51           H        CYS  51  -2.368  -0.683   3.339
  386    HA   CYS  51           HA       CYS  51  -0.767   0.035   1.196
  387   1HB   CYS  51          1HB       CYS  51  -3.683  -0.860   1.017
  388   2HB   CYS  51          2HB       CYS  51  -2.413  -1.198  -0.133
  389    H    ARG  52           H        ARG  52  -1.126   1.145  -0.727
  390    HA   ARG  52           HA       ARG  52  -3.181   3.218  -0.852
  391   1HB   ARG  52          1HB       ARG  52  -0.172   3.781  -0.527
  392   2HB   ARG  52          2HB       ARG  52  -1.169   4.954  -1.340
  393   1HG   ARG  52          1HG       ARG  52  -1.607   4.117   1.517
  394   2HG   ARG  52          2HG       ARG  52  -0.920   5.587   0.907
  395   1HD   ARG  52          1HD       ARG  52  -3.828   4.684   0.654
  396   2HD   ARG  52          2HD       ARG  52  -3.204   6.134   1.409
  397    HE   ARG  52           HE       ARG  52  -2.506   6.955  -0.747
  398   1HH1  ARG  52          1HH1      ARG  52  -5.370   4.957  -0.396
  399   2HH1  ARG  52          2HH1      ARG  52  -5.794   4.866  -2.055
  400   1HH2  ARG  52          1HH2      ARG  52  -3.406   7.424  -2.897
  401   2HH2  ARG  52          2HH2      ARG  52  -4.962   6.847  -3.301
  402    H    ASN  53           H        ASN  53  -2.217   4.709  -2.821
  403    HA   ASN  53           HA       ASN  53  -1.935   2.875  -5.136
  404   1HB   ASN  53          1HB       ASN  53  -3.997   5.085  -4.539
  405   2HB   ASN  53          2HB       ASN  53  -3.922   4.442  -6.123
  406   1HD2  ASN  53          1HD2      ASN  53  -5.543   1.436  -5.305
  407   2HD2  ASN  53          2HD2      ASN  53  -4.566   2.119  -6.524
  408    HA   PRO  54           HA       PRO  54   0.636   6.885  -5.025
  409   1HB   PRO  54          1HB       PRO  54   2.900   5.053  -5.801
  410   2HB   PRO  54          2HB       PRO  54   2.885   6.366  -4.632
  411   1HG   PRO  54          1HG       PRO  54   2.891   3.767  -3.808
  412   2HG   PRO  54          2HG       PRO  54   1.987   5.002  -2.946
  413   1HD   PRO  54          1HD       PRO  54   0.874   2.965  -4.876
  414   2HD   PRO  54          2HD       PRO  54   0.239   3.554  -3.338
  415    H    ASP  55           H        ASP  55   1.126   4.117  -7.187
  416    HA   ASP  55           HA       ASP  55   1.233   5.812  -9.591
  417   1HB   ASP  55          1HB       ASP  55   1.887   3.616 -10.654
  418   2HB   ASP  55          2HB       ASP  55   2.898   3.947  -9.259
  419    H    ARG  56           H        ARG  56  -1.045   4.738  -7.647
  420    HA   ARG  56           HA       ARG  56  -2.910   3.742  -7.613
  421   1HB   ARG  56          1HB       ARG  56  -4.729   4.934  -8.914
  422   2HB   ARG  56          2HB       ARG  56  -3.811   5.791  -7.767
  423   1HG   ARG  56          1HG       ARG  56  -2.866   5.904 -10.650
  424   2HG   ARG  56          2HG       ARG  56  -4.224   6.867 -10.145
  425   1HD   ARG  56          1HD       ARG  56  -1.453   7.039  -8.840
  426   2HD   ARG  56          2HD       ARG  56  -2.174   8.236  -9.925
  427    HE   ARG  56           HE       ARG  56  -4.072   8.024  -8.024
  428   1HH1  ARG  56          1HH1      ARG  56  -0.549   8.370  -7.619
  429   2HH1  ARG  56          2HH1      ARG  56  -0.714   9.477  -6.318
  430   1HH2  ARG  56          1HH2      ARG  56  -4.221   8.980  -6.103
  431   2HH2  ARG  56          2HH2      ARG  56  -2.904   9.827  -5.358
  432    H    GLU  57           H        GLU  57  -2.108   1.956  -7.952
  433    HA   GLU  57           HA       GLU  57  -2.416   0.377 -10.295
  434   1HB   GLU  57          1HB       GLU  57  -0.822  -0.046  -8.388
  435   2HB   GLU  57          2HB       GLU  57  -2.173  -0.128  -7.290
  436   1HG   GLU  57          1HG       GLU  57  -1.267  -2.335  -7.660
  437   2HG   GLU  57          2HG       GLU  57  -2.901  -2.298  -8.252
  438    H    LEU  58           H        LEU  58  -3.855  -1.462 -10.317
  439    HA   LEU  58           HA       LEU  58  -6.547  -0.734 -10.319
  440   1HB   LEU  58          1HB       LEU  58  -5.435  -2.583 -11.584
  441   2HB   LEU  58          2HB       LEU  58  -5.373  -3.578 -10.166
  442    HG   LEU  58           HG       LEU  58  -8.007  -2.477 -11.232
  443   1HD1  LEU  58          1HD1      LEU  58  -6.899  -3.620 -13.117
  444   2HD1  LEU  58          2HD1      LEU  58  -6.659  -5.060 -12.130
  445   3HD1  LEU  58          3HD1      LEU  58  -8.289  -4.545 -12.565
  446   1HD2  LEU  58          1HD2      LEU  58  -7.353  -4.941  -9.534
  447   2HD2  LEU  58          2HD2      LEU  58  -8.253  -3.521  -9.006
  448   3HD2  LEU  58          3HD2      LEU  58  -8.944  -4.592 -10.197
  449    H    ARG  59           H        ARG  59  -4.774  -2.716  -7.994
  450    HA   ARG  59           HA       ARG  59  -6.904  -2.374  -5.964
  451   1HB   ARG  59          1HB       ARG  59  -6.431  -4.667  -6.930
  452   2HB   ARG  59          2HB       ARG  59  -4.789  -4.569  -6.379
  453   1HG   ARG  59          1HG       ARG  59  -5.544  -4.639  -4.033
  454   2HG   ARG  59          2HG       ARG  59  -7.221  -4.580  -4.529
  455   1HD   ARG  59          1HD       ARG  59  -5.845  -6.776  -5.942
  456   2HD   ARG  59          2HD       ARG  59  -5.602  -6.941  -4.232
  457    HE   ARG  59           HE       ARG  59  -8.164  -6.906  -5.738
  458   1HH1  ARG  59          1HH1      ARG  59  -6.497  -7.221  -2.635
  459   2HH1  ARG  59          2HH1      ARG  59  -7.745  -8.203  -1.916
  460   1HH2  ARG  59          1HH2      ARG  59  -9.941  -8.120  -4.557
  461   2HH2  ARG  59          2HH2      ARG  59  -9.637  -8.519  -2.889
  462    HA   PRO  61           HA       PRO  61  -3.720   0.077  -3.938
  463   1HB   PRO  61          1HB       PRO  61  -4.464  -0.067  -1.252
  464   2HB   PRO  61          2HB       PRO  61  -5.366   0.840  -2.453
  465   1HG   PRO  61          1HG       PRO  61  -5.970  -1.912  -1.404
  466   2HG   PRO  61          2HG       PRO  61  -7.087  -0.574  -1.652
  467   1HD   PRO  61          1HD       PRO  61  -6.716  -2.698  -3.449
  468   2HD   PRO  61          2HD       PRO  61  -7.230  -1.112  -4.016
  469    H    TRP  62           H        TRP  62  -1.644  -0.345  -3.199
  470    HA   TRP  62           HA       TRP  62  -1.143  -3.087  -2.091
  471   1HB   TRP  62          1HB       TRP  62   0.919  -3.214  -3.529
  472   2HB   TRP  62          2HB       TRP  62  -0.517  -3.036  -4.504
  473    HD1  TRP  62           HD1      TRP  62  -0.902  -0.780  -5.811
  474    HE1  TRP  62           HE1      TRP  62   0.727   1.126  -6.491
  475    HE3  TRP  62           HE3      TRP  62   2.927  -1.882  -2.708
  476    HZ2  TRP  62           HZ2      TRP  62   3.285   2.031  -5.689
  477    HZ3  TRP  62           HZ3      TRP  62   4.931  -0.464  -2.615
  478    HH2  TRP  62           HH2      TRP  62   5.129   1.493  -4.130
  479    H    CYS  63           H        CYS  63   1.113  -3.304  -1.267
  480    HA   CYS  63           HA       CYS  63   2.394  -0.907  -0.231
  481   1HB   CYS  63          1HB       CYS  63   2.426  -1.941   2.159
  482   2HB   CYS  63          2HB       CYS  63   0.917  -1.259   1.704
  483    H    PHE  64           H        PHE  64   4.427  -1.577   0.951
  484    HA   PHE  64           HA       PHE  64   5.730  -3.612  -0.684
  485   1HB   PHE  64          1HB       PHE  64   6.740  -1.786   1.569
  486   2HB   PHE  64          2HB       PHE  64   7.786  -2.890   0.692
  487    HD1  PHE  64           HD1      PHE  64   7.368  -2.739  -2.008
  488    HD2  PHE  64           HD2      PHE  64   6.915   0.450   0.809
  489    HE1  PHE  64           HE1      PHE  64   7.721  -1.071  -3.804
  490    HE2  PHE  64           HE2      PHE  64   7.352   2.083  -0.987
  491    HZ   PHE  64           HZ       PHE  64   7.805   1.286  -3.289
  492    H    THR  65           H        THR  65   6.366  -5.642   0.064
  493    HA   THR  65           HA       THR  65   4.844  -6.386   2.476
  494    HB   THR  65           HB       THR  65   4.743  -8.497   1.753
  495    HG1  THR  65           HG1      THR  65   7.244  -8.308   0.490
  496   1HG2  THR  65          1HG2      THR  65   3.929  -7.036  -0.143
  497   2HG2  THR  65          2HG2      THR  65   5.439  -7.301  -0.974
  498   3HG2  THR  65          3HG2      THR  65   4.400  -8.671  -0.602
  499    H    THR  66           H        THR  66   5.900  -8.231   3.872
  500    HA   THR  66           HA       THR  66   8.391  -7.141   4.939
  501    HB   THR  66           HB       THR  66   7.731  -9.145   6.607
  502    HG1  THR  66           HG1      THR  66   5.130  -8.704   5.877
  503   1HG2  THR  66          1HG2      THR  66   6.163  -6.513   6.479
  504   2HG2  THR  66          2HG2      THR  66   6.247  -7.583   7.880
  505   3HG2  THR  66          3HG2      THR  66   7.693  -6.784   7.289
  506    H    ASP  67           H        ASP  67   7.422  -9.454   2.613
  507    HA   ASP  67           HA       ASP  67   9.507 -11.399   3.187
  508   1HB   ASP  67          1HB       ASP  67   7.415 -12.196   2.197
  509   2HB   ASP  67          2HB       ASP  67   7.531 -11.038   0.882
  510    HA   PRO  68           HA       PRO  68  12.512  -8.897   0.814
  511   1HB   PRO  68          1HB       PRO  68  14.074 -11.477   1.024
  512   2HB   PRO  68          2HB       PRO  68  14.622  -9.839   1.352
  513   1HG   PRO  68          1HG       PRO  68  14.044 -11.559   3.394
  514   2HG   PRO  68          2HG       PRO  68  13.591  -9.860   3.510
  515   1HD   PRO  68          1HD       PRO  68  11.783 -12.189   2.809
  516   2HD   PRO  68          2HD       PRO  68  11.471 -10.789   3.853
  517    H    ASN  69           H        ASN  69  10.791 -11.696  -0.158
  518    HA   ASN  69           HA       ASN  69  11.932 -11.494  -2.914
  519   1HB   ASN  69          1HB       ASN  69  10.588 -13.872  -1.506
  520   2HB   ASN  69          2HB       ASN  69  10.995 -13.836  -3.207
  521   1HD2  ASN  69          1HD2      ASN  69  14.609 -13.469  -1.732
  522   2HD2  ASN  69          2HD2      ASN  69  13.567 -12.120  -2.008
  523    H    LYS  70           H        LYS  70   9.532 -10.205  -1.168
  524    HA   LYS  70           HA       LYS  70   7.955 -10.002  -3.627
  525   1HB   LYS  70          1HB       LYS  70   6.928 -11.529  -1.626
  526   2HB   LYS  70          2HB       LYS  70   6.422 -10.057  -1.005
  527   1HG   LYS  70          1HG       LYS  70   4.639 -10.138  -2.430
  528   2HG   LYS  70          2HG       LYS  70   5.696  -9.845  -3.763
  529   1HD   LYS  70          1HD       LYS  70   4.669 -12.482  -2.651
  530   2HD   LYS  70          2HD       LYS  70   4.450 -11.851  -4.260
  531   1HE   LYS  70          1HE       LYS  70   7.042 -13.013  -3.077
  532   2HE   LYS  70          2HE       LYS  70   6.048 -13.754  -4.299
  533   1HZ   LYS  70          1HZ       LYS  70   7.091 -11.106  -4.824
  534   2HZ   LYS  70          2HZ       LYS  70   8.185 -12.370  -4.793
  535   3HZ   LYS  70          3HZ       LYS  70   6.872 -12.404  -5.900
  536    H    ARG  71           H        ARG  71   8.798  -8.038  -4.112
  537    HA   ARG  71           HA       ARG  71   9.271  -6.092  -2.070
  538   1HB   ARG  71          1HB       ARG  71  10.507  -6.220  -4.195
  539   2HB   ARG  71          2HB       ARG  71   9.150  -5.652  -5.101
  540   1HG   ARG  71          1HG       ARG  71  10.124  -3.972  -2.740
  541   2HG   ARG  71          2HG       ARG  71  11.158  -4.044  -4.129
  542   1HD   ARG  71          1HD       ARG  71   8.262  -3.122  -4.228
  543   2HD   ARG  71          2HD       ARG  71   9.717  -2.093  -4.174
  544    HE   ARG  71           HE       ARG  71   9.477  -4.059  -6.353
  545   1HH1  ARG  71          1HH1      ARG  71   9.172  -0.685  -5.295
  546   2HH1  ARG  71          2HH1      ARG  71   8.627  -0.146  -6.849
  547   1HH2  ARG  71          1HH2      ARG  71   9.280  -3.146  -8.516
  548   2HH2  ARG  71          2HH2      ARG  71   8.847  -1.469  -8.631
  549    H    TRP  72           H        TRP  72   7.005  -5.518  -4.831
  550    HA   TRP  72           HA       TRP  72   5.178  -4.228  -2.881
  551   1HB   TRP  72          1HB       TRP  72   4.100  -3.165  -4.761
  552   2HB   TRP  72          2HB       TRP  72   5.781  -2.817  -4.929
  553    HD1  TRP  72           HD1      TRP  72   7.184  -4.305  -6.892
  554    HE1  TRP  72           HE1      TRP  72   6.307  -4.980  -9.185
  555    HE3  TRP  72           HE3      TRP  72   2.214  -4.022  -5.933
  556    HZ2  TRP  72           HZ2      TRP  72   3.776  -5.294 -10.452
  557    HZ3  TRP  72           HZ3      TRP  72   0.579  -4.460  -7.756
  558    HH2  TRP  72           HH2      TRP  72   1.357  -5.019  -9.993
  559    H    GLU  73           H        GLU  73   2.944  -4.900  -2.741
  560    HA   GLU  73           HA       GLU  73   2.072  -7.019  -4.512
  561   1HB   GLU  73          1HB       GLU  73   3.353  -8.180  -2.517
  562   2HB   GLU  73          2HB       GLU  73   2.049  -7.625  -1.513
  563   1HG   GLU  73          1HG       GLU  73   0.470  -8.886  -3.213
  564   2HG   GLU  73          2HG       GLU  73   1.932  -9.619  -3.839
  565    H    LEU  74           H        LEU  74  -0.110  -7.194  -4.605
  566    HA   LEU  74           HA       LEU  74  -1.566  -4.849  -3.819
  567   1HB   LEU  74          1HB       LEU  74  -2.760  -7.495  -4.783
  568   2HB   LEU  74          2HB       LEU  74  -3.524  -5.932  -4.851
  569    HG   LEU  74           HG       LEU  74  -1.059  -6.733  -6.456
  570   1HD1  LEU  74          1HD1      LEU  74  -3.098  -7.912  -7.201
  571   2HD1  LEU  74          2HD1      LEU  74  -3.941  -6.377  -7.381
  572   3HD1  LEU  74          3HD1      LEU  74  -2.557  -6.746  -8.402
  573   1HD2  LEU  74          1HD2      LEU  74  -2.632  -4.109  -6.417
  574   2HD2  LEU  74          2HD2      LEU  74  -0.919  -4.349  -6.132
  575   3HD2  LEU  74          3HD2      LEU  74  -1.584  -4.591  -7.736
  576    H    CYS  75           H        CYS  75  -3.085  -4.571  -2.282
  577    HA   CYS  75           HA       CYS  75  -3.201  -6.483  -0.045
  578   1HB   CYS  75          1HB       CYS  75  -4.162  -3.589  -0.292
  579   2HB   CYS  75          2HB       CYS  75  -4.074  -4.499   1.195
  580    H    ASP  76           H        ASP  76  -5.256  -6.464   1.159
  581    HA   ASP  76           HA       ASP  76  -7.589  -6.277  -0.682
  582   1HB   ASP  76          1HB       ASP  76  -6.914  -8.736  -0.095
  583   2HB   ASP  76          2HB       ASP  76  -7.450  -8.405   1.524
  584    H    ILE  77           H        ILE  77  -8.822  -4.763  -0.158
  585    HA   ILE  77           HA       ILE  77  -8.913  -3.753   2.629
  586    HB   ILE  77           HB       ILE  77  -8.875  -2.469  -0.103
  587   1HG1  ILE  77          1HG1      ILE  77  -7.217  -1.009   0.636
  588   2HG1  ILE  77          2HG1      ILE  77  -7.525  -1.283   2.317
  589   1HG2  ILE  77          1HG2      ILE  77 -10.916  -1.437   0.920
  590   2HG2  ILE  77          2HG2      ILE  77  -9.931  -0.867   2.263
  591   3HG2  ILE  77          3HG2      ILE  77  -9.634  -0.283   0.644
  592   1HD1  ILE  77          1HD1      ILE  77  -6.307  -3.378   0.476
  593   2HD1  ILE  77          2HD1      ILE  77  -5.399  -2.313   1.550
  594   3HD1  ILE  77          3HD1      ILE  77  -6.489  -3.494   2.237
  595    HA   PRO  78           HA       PRO  78 -13.129  -5.061   2.441
  596   1HB   PRO  78          1HB       PRO  78 -14.327  -3.190   4.187
  597   2HB   PRO  78          2HB       PRO  78 -13.428  -4.618   4.664
  598   1HG   PRO  78          1HG       PRO  78 -12.443  -1.778   4.539
  599   2HG   PRO  78          2HG       PRO  78 -12.045  -2.990   5.754
  600   1HD   PRO  78          1HD       PRO  78 -10.355  -2.344   3.714
  601   2HD   PRO  78          2HD       PRO  78 -10.399  -3.980   4.376
  602    H    ARG  79           H        ARG  79 -14.547  -4.838   0.874
  603    HA   ARG  79           HA       ARG  79 -14.565  -2.558  -0.816
  604   1HB   ARG  79          1HB       ARG  79 -15.377  -4.968  -1.355
  605   2HB   ARG  79          2HB       ARG  79 -16.836  -4.585  -0.502
  606   1HG   ARG  79          1HG       ARG  79 -17.224  -2.704  -2.204
  607   2HG   ARG  79          2HG       ARG  79 -15.740  -3.150  -2.995
  608   1HD   ARG  79          1HD       ARG  79 -17.752  -4.160  -4.136
  609   2HD   ARG  79          2HD       ARG  79 -16.689  -5.437  -3.486
  610    HE   ARG  79           HE       ARG  79 -18.650  -4.560  -1.573
  611   1HH1  ARG  79          1HH1      ARG  79 -18.273  -6.615  -4.402
  612   2HH1  ARG  79          2HH1      ARG  79 -19.568  -7.673  -3.977
  613   1HH2  ARG  79          1HH2      ARG  79 -20.250  -5.817  -1.016
  614   2HH2  ARG  79          2HH2      ARG  79 -20.780  -7.215  -1.905
  615    H    CYS  80           H        CYS  80 -16.104  -0.920  -1.106
  616    HA   CYS  80           HA       CYS  80 -17.372   0.053   1.320
  617   1HB   CYS  80          1HB       CYS  80 -17.575   1.076  -1.561
  618   2HB   CYS  80          2HB       CYS  80 -18.067   1.966  -0.142
  619    H    THR  81           H        THR  81 -18.653  -2.099   1.396
  620    HA   THR  81           HA       THR  81 -21.366  -1.446   0.483
  621    HB   THR  81           HB       THR  81 -21.772  -3.766  -0.335
  622    HG1  THR  81           HG1      THR  81 -19.794  -4.567   0.859
  623   1HG2  THR  81          1HG2      THR  81 -21.062  -1.991  -1.992
  624   2HG2  THR  81          2HG2      THR  81 -19.413  -2.579  -1.867
  625   3HG2  THR  81          3HG2      THR  81 -20.673  -3.626  -2.504
  626    H1   AMH  84           H1       AMH  84   5.928  -1.153  -9.289
  627   1H2   AMH  84          1H2       AMH  84   5.553   1.282 -10.014
  628   2H2   AMH  84          2H2       AMH  84   4.584   1.493  -8.531
  629   1H3   AMH  84          1H3       AMH  84   3.240   0.912 -10.651
  630   2H3   AMH  84          2H3       AMH  84   4.109  -0.618 -10.645
  631    H4   AMH  84           H4       AMH  84   2.311   0.401  -8.395
  632   1H5   AMH  84          1H5       AMH  84   2.750  -1.737  -7.310
  633   2H5   AMH  84          2H5       AMH  84   3.666  -2.281  -8.707
  634   1H6   AMH  84          1H6       AMH  84   5.320  -1.736  -7.023
  635   2H6   AMH  84          2H6       AMH  84   4.600  -0.173  -6.738
  636   1H7   AMH  84          1H7       AMH  84   1.015  -1.794  -9.076
  637   2H7   AMH  84          2H7       AMH  84   0.823  -0.331 -10.067
  638   1HN   AMH  84          1HN       AMH  84   1.218  -2.484 -11.160
  639   2HN   AMH  84          2HN       AMH  84   2.133  -1.229 -11.694
  640   3HN   AMH  84          3HN       AMH  84   2.796  -2.375 -10.728
  Start of MODEL   14
    1   1H    THR  -4          1H        THR  -4 -15.289   3.215   9.016
    2   2H    THR  -4          2H        THR  -4 -16.890   3.676   8.973
    3   3H    THR  -4          3H        THR  -4 -15.934   3.764   7.609
    4    HA   THR  -4           HA       THR  -4 -15.844   5.837   8.117
    5    HB   THR  -4           HB       THR  -4 -16.051   5.274  11.110
    6    HG1  THR  -4           HG1      THR  -4 -18.352   4.952  10.640
    7   1HG2  THR  -4          1HG2      THR  -4 -15.984   7.662  10.262
    8   2HG2  THR  -4          2HG2      THR  -4 -17.438   7.360   9.317
    9   3HG2  THR  -4          3HG2      THR  -4 -17.496   7.314  11.080
   10    H    SER  -3           H        SER  -3 -13.729   4.290   7.626
   11    HA   SER  -3           HA       SER  -3 -11.551   5.802   8.697
   12   1HB   SER  -3          1HB       SER  -3 -11.857   2.823   9.481
   13   2HB   SER  -3          2HB       SER  -3 -10.325   3.662   9.545
   14    HG   SER  -3           HG       SER  -3 -12.432   4.835  10.940
   15    H    GLU  -2           H        GLU  -2 -12.752   5.506   6.319
   16    HA   GLU  -2           HA       GLU  -2 -12.600   4.911   4.155
   17   1HB   GLU  -2          1HB       GLU  -2  -9.713   5.541   4.976
   18   2HB   GLU  -2          2HB       GLU  -2 -10.237   5.490   3.317
   19   1HG   GLU  -2          1HG       GLU  -2 -10.199   7.817   4.135
   20   2HG   GLU  -2          2HG       GLU  -2 -11.817   7.354   3.672
   21    H    GLU  -1           H        GLU  -1 -13.002   2.741   5.435
   22    HA   GLU  -1           HA       GLU  -1 -10.936   0.760   4.950
   23   1HB   GLU  -1          1HB       GLU  -1 -12.526  -0.818   6.076
   24   2HB   GLU  -1          2HB       GLU  -1 -12.064   0.538   7.048
   25   1HG   GLU  -1          1HG       GLU  -1 -14.711   0.563   5.492
   26   2HG   GLU  -1          2HG       GLU  -1 -14.558  -0.195   7.051
   27    H    CYS   1           H        CYS   1 -14.063   1.605   3.494
   28    HA   CYS   1           HA       CYS   1 -13.557  -0.603   1.563
   29   1HB   CYS   1          1HB       CYS   1 -15.815  -0.920   1.163
   30   2HB   CYS   1          2HB       CYS   1 -15.716  -0.787   2.881
   31    H    MET   2           H        MET   2 -13.660  -0.240  -0.562
   32    HA   MET   2           HA       MET   2 -13.669   2.621  -1.500
   33   1HB   MET   2          1HB       MET   2 -11.706   0.316  -2.069
   34   2HB   MET   2          2HB       MET   2 -11.911   1.582  -3.249
   35   1HG   MET   2          1HG       MET   2  -9.972   1.770  -1.617
   36   2HG   MET   2          2HG       MET   2 -10.848   3.210  -2.067
   37   1HE   MET   2          1HE       MET   2  -9.786   0.728   0.475
   38   2HE   MET   2          2HE       MET   2 -10.580   1.149   1.984
   39   3HE   MET   2          3HE       MET   2 -11.470   0.287   0.714
   40    H    HIS   3           H        HIS   3 -13.920   2.762  -3.837
   41    HA   HIS   3           HA       HIS   3 -16.190   1.212  -4.706
   42   1HB   HIS   3          1HB       HIS   3 -14.282   3.000  -6.340
   43   2HB   HIS   3          2HB       HIS   3 -15.812   2.374  -6.921
   44    HD1  HIS   3           HD1      HIS   3 -16.671   3.135  -3.572
   45    HD2  HIS   3           HD2      HIS   3 -15.809   5.453  -6.966
   46    HE1  HIS   3           HE1      HIS   3 -17.688   5.429  -3.197
   47    H    GLY   4           H        GLY   4 -12.735   1.033  -5.152
   48   1HA   GLY   4          1HA       GLY   4 -12.331  -1.584  -5.419
   49   2HA   GLY   4          2HA       GLY   4 -12.945  -1.234  -7.053
   50    H    SER   5           H        SER   5 -11.583   1.594  -6.764
   51    HA   SER   5           HA       SER   5  -9.155   0.746  -8.080
   52   1HB   SER   5          1HB       SER   5  -9.064   3.355  -8.319
   53   2HB   SER   5          2HB       SER   5 -10.457   2.529  -9.036
   54    HG   SER   5           HG       SER   5 -11.162   4.287  -7.666
   55    H    GLY   6           H        GLY   6 -10.065   2.725  -5.342
   56   1HA   GLY   6          1HA       GLY   6  -8.948   2.807  -3.217
   57   2HA   GLY   6          2HA       GLY   6  -7.551   1.987  -3.901
   58    H    GLU   7           H        GLU   7  -8.661   4.562  -5.832
   59    HA   GLU   7           HA       GLU   7  -6.274   6.023  -5.521
   60   1HB   GLU   7          1HB       GLU   7  -7.711   6.289  -7.493
   61   2HB   GLU   7          2HB       GLU   7  -8.987   6.988  -6.535
   62   1HG   GLU   7          1HG       GLU   7  -7.802   8.734  -7.787
   63   2HG   GLU   7          2HG       GLU   7  -7.596   9.007  -6.077
   64    H    ASN   8           H        ASN   8  -9.364   6.461  -3.905
   65    HA   ASN   8           HA       ASN   8  -8.285   8.729  -2.324
   66   1HB   ASN   8          1HB       ASN   8 -10.593   8.826  -3.350
   67   2HB   ASN   8          2HB       ASN   8 -11.064   7.408  -2.445
   68   1HD2  ASN   8          1HD2      ASN   8 -11.003  11.044  -0.618
   69   2HD2  ASN   8          2HD2      ASN   8 -10.113  10.899  -2.086
   70    H    TYR   9           H        TYR   9  -7.844   5.522  -2.073
   71    HA   TYR   9           HA       TYR   9  -8.673   5.069   0.643
   72   1HB   TYR   9          1HB       TYR   9  -8.479   3.225  -1.012
   73   2HB   TYR   9          2HB       TYR   9  -6.787   3.577  -1.265
   74    HD1  TYR   9           HD1      TYR   9  -9.012   2.959   1.693
   75    HD2  TYR   9           HD2      TYR   9  -5.345   2.079  -0.319
   76    HE1  TYR   9           HE1      TYR   9  -8.457   1.341   3.426
   77    HE2  TYR   9           HE2      TYR   9  -4.735   0.548   1.445
   78    HH   TYR   9           HH       TYR   9  -5.372  -0.398   3.532
   79    H    ASP  10           H        ASP  10  -7.625   5.338   2.456
   80    HA   ASP  10           HA       ASP  10  -4.811   4.991   2.665
   81   1HB   ASP  10          1HB       ASP  10  -4.071   7.095   3.500
   82   2HB   ASP  10          2HB       ASP  10  -4.952   7.488   2.053
   83    H    GLY  11           H        GLY  11  -7.031   3.507   3.505
   84   1HA   GLY  11          1HA       GLY  11  -7.875   4.297   6.109
   85   2HA   GLY  11          2HA       GLY  11  -8.273   2.829   5.239
   86    H    LYS  12           H        LYS  12  -7.346   1.053   5.790
   87    HA   LYS  12           HA       LYS  12  -5.025   1.027   7.678
   88   1HB   LYS  12          1HB       LYS  12  -7.705  -0.186   8.488
   89   2HB   LYS  12          2HB       LYS  12  -6.241  -0.348   9.397
   90   1HG   LYS  12          1HG       LYS  12  -7.670   2.294   8.836
   91   2HG   LYS  12          2HG       LYS  12  -7.835   1.375  10.284
   92   1HD   LYS  12          1HD       LYS  12  -5.207   2.628   9.329
   93   2HD   LYS  12          2HD       LYS  12  -6.277   3.318  10.503
   94   1HE   LYS  12          1HE       LYS  12  -4.672   0.729  10.804
   95   2HE   LYS  12          2HE       LYS  12  -4.405   2.248  11.635
   96   1HZ   LYS  12          1HZ       LYS  12  -6.520   2.008  12.715
   97   2HZ   LYS  12          2HZ       LYS  12  -6.776   0.529  11.925
   98   3HZ   LYS  12          3HZ       LYS  12  -5.494   0.691  13.027
   99    H    ILE  13           H        ILE  13  -6.819  -0.805   5.275
  100    HA   ILE  13           HA       ILE  13  -5.777  -3.347   6.135
  101    HB   ILE  13           HB       ILE  13  -6.659  -2.645   3.300
  102   1HG1  ILE  13          1HG1      ILE  13  -8.844  -3.963   4.442
  103   2HG1  ILE  13          2HG1      ILE  13  -8.362  -2.905   5.731
  104   1HG2  ILE  13          1HG2      ILE  13  -6.542  -5.304   4.775
  105   2HG2  ILE  13          2HG2      ILE  13  -7.225  -5.058   3.175
  106   3HG2  ILE  13          3HG2      ILE  13  -5.516  -4.792   3.430
  107   1HD1  ILE  13          1HD1      ILE  13  -8.941  -2.084   2.829
  108   2HD1  ILE  13          2HD1      ILE  13 -10.044  -1.882   4.178
  109   3HD1  ILE  13          3HD1      ILE  13  -8.545  -0.952   4.112
  110    H    SER  14           H        SER  14  -3.938  -4.277   5.641
  111    HA   SER  14           HA       SER  14  -2.137  -3.158   3.602
  112   1HB   SER  14          1HB       SER  14  -1.751  -2.103   6.023
  113   2HB   SER  14          2HB       SER  14  -1.132  -3.664   6.466
  114    HG   SER  14           HG       SER  14  -0.079  -2.070   4.366
  115    H    LYS  15           H        LYS  15  -3.581  -5.572   3.474
  116    HA   LYS  15           HA       LYS  15  -1.384  -7.579   3.822
  117   1HB   LYS  15          1HB       LYS  15  -4.382  -7.782   4.319
  118   2HB   LYS  15          2HB       LYS  15  -3.542  -9.171   3.709
  119   1HG   LYS  15          1HG       LYS  15  -3.537  -9.449   6.057
  120   2HG   LYS  15          2HG       LYS  15  -1.902  -9.071   5.597
  121   1HD   LYS  15          1HD       LYS  15  -2.233  -6.717   6.327
  122   2HD   LYS  15          2HD       LYS  15  -3.890  -7.058   6.774
  123   1HE   LYS  15          1HE       LYS  15  -3.097  -8.594   8.572
  124   2HE   LYS  15          2HE       LYS  15  -1.459  -8.516   7.929
  125   1HZ   LYS  15          1HZ       LYS  15  -1.446  -6.164   8.375
  126   2HZ   LYS  15          2HZ       LYS  15  -2.873  -6.318   9.318
  127   3HZ   LYS  15          3HZ       LYS  15  -1.389  -7.137   9.657
  128    H    THR  16           H        THR  16  -0.634  -8.463   2.058
  129    HA   THR  16           HA       THR  16  -1.742  -7.627  -0.434
  130    HB   THR  16           HB       THR  16   0.080  -8.385  -1.507
  131    HG1  THR  16           HG1      THR  16   0.649 -10.403  -0.794
  132   1HG2  THR  16          1HG2      THR  16   0.491  -6.431  -0.086
  133   2HG2  THR  16          2HG2      THR  16   1.061  -7.455   1.236
  134   3HG2  THR  16          3HG2      THR  16   1.959  -7.377  -0.260
  135    H    MET  17           H        MET  17  -2.925  -8.622  -1.748
  136    HA   MET  17           HA       MET  17  -4.793 -10.383  -0.907
  137   1HB   MET  17          1HB       MET  17  -5.702 -10.254  -3.162
  138   2HB   MET  17          2HB       MET  17  -4.944  -8.743  -2.827
  139   1HG   MET  17          1HG       MET  17  -2.976  -9.382  -4.212
  140   2HG   MET  17          2HG       MET  17  -3.634 -10.970  -4.473
  141   1HE   MET  17          1HE       MET  17  -6.278 -11.206  -5.267
  142   2HE   MET  17          2HE       MET  17  -6.416 -10.655  -6.947
  143   3HE   MET  17          3HE       MET  17  -5.011 -11.609  -6.419
  144    H    SER  18           H        SER  18  -1.695 -11.310  -2.167
  145    HA   SER  18           HA       SER  18  -2.562 -14.137  -1.896
  146   1HB   SER  18          1HB       SER  18  -2.620 -13.584  -4.337
  147   2HB   SER  18          2HB       SER  18  -0.971 -12.996  -4.290
  148    HG   SER  18           HG       SER  18  -0.432 -15.184  -3.558
  149    H    GLY  19           H        GLY  19  -1.080 -12.388  -0.002
  150   1HA   GLY  19          1HA       GLY  19   1.164 -14.270   0.184
  151   2HA   GLY  19          2HA       GLY  19   1.682 -12.687  -0.370
  152    H    LEU  20           H        LEU  20   1.518 -10.873   1.168
  153    HA   LEU  20           HA       LEU  20   1.932 -11.938   3.940
  154   1HB   LEU  20          1HB       LEU  20   3.640 -10.036   2.238
  155   2HB   LEU  20          2HB       LEU  20   4.089 -10.546   3.836
  156    HG   LEU  20           HG       LEU  20   3.780 -12.538   1.552
  157   1HD1  LEU  20          1HD1      LEU  20   6.292 -11.020   2.320
  158   2HD1  LEU  20          2HD1      LEU  20   6.220 -12.417   1.246
  159   3HD1  LEU  20          3HD1      LEU  20   5.418 -10.928   0.795
  160   1HD2  LEU  20          1HD2      LEU  20   3.762 -13.513   3.835
  161   2HD2  LEU  20          2HD2      LEU  20   5.225 -13.953   2.964
  162   3HD2  LEU  20          3HD2      LEU  20   5.286 -12.699   4.200
  163    H    GLU  21           H        GLU  21   2.602 -10.187   5.398
  164    HA   GLU  21           HA       GLU  21   0.678  -7.989   5.495
  165   1HB   GLU  21          1HB       GLU  21   1.420  -9.114   7.590
  166   2HB   GLU  21          2HB       GLU  21   3.094  -8.864   7.171
  167   1HG   GLU  21          1HG       GLU  21   2.804  -7.242   8.798
  168   2HG   GLU  21          2HG       GLU  21   2.603  -6.277   7.368
  169    H    CYS  22           H        CYS  22   1.147  -5.911   4.839
  170    HA   CYS  22           HA       CYS  22   3.531  -5.629   3.164
  171   1HB   CYS  22          1HB       CYS  22   1.074  -4.024   3.646
  172   2HB   CYS  22          2HB       CYS  22   2.500  -3.149   3.057
  173    H    GLN  23           H        GLN  23   4.944  -4.170   3.209
  174    HA   GLN  23           HA       GLN  23   6.199  -3.510   5.779
  175   1HB   GLN  23          1HB       GLN  23   7.452  -4.827   4.154
  176   2HB   GLN  23          2HB       GLN  23   7.001  -3.793   2.838
  177   1HG   GLN  23          1HG       GLN  23   8.541  -2.266   4.858
  178   2HG   GLN  23          2HG       GLN  23   9.393  -3.706   4.336
  179   1HE2  GLN  23          1HE2      GLN  23   8.610  -0.654   1.718
  180   2HE2  GLN  23          2HE2      GLN  23   7.756  -0.741   3.188
  181    H    ALA  24           H        ALA  24   6.486  -1.473   6.425
  182    HA   ALA  24           HA       ALA  24   4.717   0.474   5.449
  183   1HB   ALA  24          1HB       ALA  24   5.533   0.399   7.803
  184   2HB   ALA  24          2HB       ALA  24   7.149   0.873   7.273
  185   3HB   ALA  24          3HB       ALA  24   5.798   1.996   7.116
  186    H    TRP  25           H        TRP  25   4.985   2.468   4.506
  187    HA   TRP  25           HA       TRP  25   6.775   2.557   2.289
  188   1HB   TRP  25          1HB       TRP  25   4.969   4.761   3.450
  189   2HB   TRP  25          2HB       TRP  25   5.711   4.781   1.860
  190    HD1  TRP  25           HD1      TRP  25   2.640   3.525   3.689
  191    HE1  TRP  25           HE1      TRP  25   1.095   2.321   2.066
  192    HE3  TRP  25           HE3      TRP  25   5.784   3.207  -0.302
  193    HZ2  TRP  25           HZ2      TRP  25   1.201   1.374  -0.596
  194    HZ3  TRP  25           HZ3      TRP  25   4.993   2.198  -2.415
  195    HH2  TRP  25           HH2      TRP  25   2.682   1.287  -2.563
  196    H    ASP  26           H        ASP  26   7.538   3.130   5.490
  197    HA   ASP  26           HA       ASP  26   8.902   5.637   5.215
  198   1HB   ASP  26          1HB       ASP  26   9.338   3.434   7.322
  199   2HB   ASP  26          2HB       ASP  26   9.762   5.125   7.490
  200    H    SER  27           H        SER  27  11.221   3.929   6.723
  201    HA   SER  27           HA       SER  27  12.316   2.496   4.473
  202   1HB   SER  27          1HB       SER  27  13.183   4.871   4.127
  203   2HB   SER  27          2HB       SER  27  13.952   4.795   5.723
  204    HG   SER  27           HG       SER  27  15.429   4.172   4.003
  205    H    GLN  28           H        GLN  28  12.914   0.705   5.183
  206    HA   GLN  28           HA       GLN  28  14.044   0.427   7.873
  207   1HB   GLN  28          1HB       GLN  28  12.228  -1.193   8.552
  208   2HB   GLN  28          2HB       GLN  28  11.767   0.470   8.453
  209   1HG   GLN  28          1HG       GLN  28  10.735  -1.783   6.676
  210   2HG   GLN  28          2HG       GLN  28   9.930  -0.660   7.692
  211   1HE2  GLN  28          1HE2      GLN  28  10.366   0.378   3.878
  212   2HE2  GLN  28          2HE2      GLN  28  10.903  -1.162   4.403
  213    H    SER  29           H        SER  29  12.494  -1.662   5.506
  214    HA   SER  29           HA       SER  29  14.783  -2.939   4.549
  215   1HB   SER  29          1HB       SER  29  13.052  -4.755   6.343
  216   2HB   SER  29          2HB       SER  29  14.649  -5.113   5.743
  217    HG   SER  29           HG       SER  29  15.213  -3.208   7.229
  218    HA   PRO  30           HA       PRO  30  14.507  -5.685   3.733
  219   1HB   PRO  30          1HB       PRO  30  13.981  -5.843   0.786
  220   2HB   PRO  30          2HB       PRO  30  14.309  -7.142   1.925
  221   1HG   PRO  30          1HG       PRO  30  11.781  -6.713   1.019
  222   2HG   PRO  30          2HG       PRO  30  12.038  -7.101   2.716
  223   1HD   PRO  30          1HD       PRO  30  11.608  -4.349   1.505
  224   2HD   PRO  30          2HD       PRO  30  10.845  -5.042   2.948
  225    H    HIS  31           H        HIS  31  13.892  -2.796   1.856
  226    HA   HIS  31           HA       HIS  31  16.590  -1.975   2.065
  227   1HB   HIS  31          1HB       HIS  31  15.870  -3.444  -0.381
  228   2HB   HIS  31          2HB       HIS  31  16.055  -1.776  -0.847
  229    HD1  HIS  31           HD1      HIS  31  18.014  -4.153   1.414
  230    HD2  HIS  31           HD2      HIS  31  18.594  -1.193  -1.507
  231    HE1  HIS  31           HE1      HIS  31  20.534  -3.945   1.031
  232    H    ALA  32           H        ALA  32  16.808   0.204   0.973
  233    HA   ALA  32           HA       ALA  32  14.473   1.771   1.697
  234   1HB   ALA  32          1HB       ALA  32  16.801   2.589   2.148
  235   2HB   ALA  32          2HB       ALA  32  17.144   2.627   0.419
  236   3HB   ALA  32          3HB       ALA  32  15.947   3.723   1.105
  237    H    HIS  33           H        HIS  33  13.081   0.811   0.282
  238    HA   HIS  33           HA       HIS  33  13.166   0.949  -2.579
  239   1HB   HIS  33          1HB       HIS  33  10.637   0.422  -2.312
  240   2HB   HIS  33          2HB       HIS  33  11.670  -0.622  -1.358
  241    HD1  HIS  33           HD1      HIS  33   9.768   2.668  -0.748
  242    HD2  HIS  33           HD2      HIS  33  11.232  -0.717   1.271
  243    HE1  HIS  33           HE1      HIS  33   9.062   2.888   1.651
  244    H    GLY  34           H        GLY  34  11.466   2.130  -3.865
  245   1HA   GLY  34          1HA       GLY  34  11.680   5.002  -3.327
  246   2HA   GLY  34          2HA       GLY  34  10.869   4.221  -4.708
  247    H    TYR  36           H        TYR  36   9.471   6.226  -3.794
  248    HA   TYR  36           HA       TYR  36   7.445   6.882  -3.038
  249   1HB   TYR  36          1HB       TYR  36   6.771   3.931  -2.543
  250   2HB   TYR  36          2HB       TYR  36   5.634   5.233  -2.633
  251    HD1  TYR  36           HD1      TYR  36   5.251   6.420  -4.832
  252    HD2  TYR  36           HD2      TYR  36   7.642   2.903  -4.522
  253    HE1  TYR  36           HE1      TYR  36   4.945   5.982  -7.229
  254    HE2  TYR  36           HE2      TYR  36   7.300   2.436  -6.906
  255    HH   TYR  36           HH       TYR  36   5.075   3.496  -8.673
  256    H    ILE  37           H        ILE  37   8.787   7.774  -1.276
  257    HA   ILE  37           HA       ILE  37   8.066   6.537   1.322
  258    HB   ILE  37           HB       ILE  37  10.582   8.070   0.569
  259   1HG1  ILE  37          1HG1      ILE  37  10.186   5.156   1.362
  260   2HG1  ILE  37          2HG1      ILE  37  10.582   5.721  -0.236
  261   1HG2  ILE  37          1HG2      ILE  37   9.788   8.555   2.949
  262   2HG2  ILE  37          2HG2      ILE  37   9.955   6.837   3.288
  263   3HG2  ILE  37          3HG2      ILE  37  11.362   7.805   2.861
  264   1HD1  ILE  37          1HD1      ILE  37  12.771   6.635   0.624
  265   2HD1  ILE  37          2HD1      ILE  37  12.393   5.962   2.214
  266   3HD1  ILE  37          3HD1      ILE  37  12.613   4.895   0.847
  267    HA   PRO  38           HA       PRO  38   5.514  10.031   1.557
  268   1HB   PRO  38          1HB       PRO  38   5.329  10.288   4.425
  269   2HB   PRO  38          2HB       PRO  38   4.297   9.381   3.361
  270   1HG   PRO  38          1HG       PRO  38   6.529   8.387   5.075
  271   2HG   PRO  38          2HG       PRO  38   5.125   7.505   4.512
  272   1HD   PRO  38          1HD       PRO  38   7.699   7.214   3.493
  273   2HD   PRO  38          2HD       PRO  38   6.239   6.826   2.564
  274    H    SER  39           H        SER  39   8.650  10.257   3.178
  275    HA   SER  39           HA       SER  39   8.398  12.987   3.913
  276   1HB   SER  39          1HB       SER  39  11.006  12.751   3.914
  277   2HB   SER  39          2HB       SER  39  10.054  11.732   5.002
  278    HG   SER  39           HG       SER  39  11.565  10.439   3.806
  279    H    LYS  40           H        LYS  40   8.576  11.574   0.807
  280    HA   LYS  40           HA       LYS  40   9.794  14.014  -0.391
  281   1HB   LYS  40          1HB       LYS  40   9.107  11.218  -1.493
  282   2HB   LYS  40          2HB       LYS  40   9.718  12.516  -2.476
  283   1HG   LYS  40          1HG       LYS  40  11.504  11.012  -1.987
  284   2HG   LYS  40          2HG       LYS  40  11.852  12.560  -1.232
  285   1HD   LYS  40          1HD       LYS  40  11.346  11.674   0.983
  286   2HD   LYS  40          2HD       LYS  40  10.591  10.253   0.315
  287   1HE   LYS  40          1HE       LYS  40  12.790   9.662   1.192
  288   2HE   LYS  40          2HE       LYS  40  12.833   9.490  -0.556
  289   1HZ   LYS  40          1HZ       LYS  40  13.825  11.808   0.982
  290   2HZ   LYS  40          2HZ       LYS  40  14.772  10.593   0.271
  291   3HZ   LYS  40          3HZ       LYS  40  13.868  11.648  -0.702
  292    H    PHE  41           H        PHE  41   6.810  12.975   0.613
  293    HA   PHE  41           HA       PHE  41   5.465  14.272  -1.710
  294   1HB   PHE  41          1HB       PHE  41   4.464  12.022   0.080
  295   2HB   PHE  41          2HB       PHE  41   3.505  12.853  -1.121
  296    HD1  PHE  41           HD1      PHE  41   3.904  12.613  -3.508
  297    HD2  PHE  41           HD2      PHE  41   6.259  10.497  -0.654
  298    HE1  PHE  41           HE1      PHE  41   4.667  11.079  -5.275
  299    HE2  PHE  41           HE2      PHE  41   7.040   8.984  -2.408
  300    HZ   PHE  41           HZ       PHE  41   6.253   9.264  -4.742
  301    HA   PRO  42           HA       PRO  42   4.128  17.012   1.738
  302   1HB   PRO  42          1HB       PRO  42   2.905  18.863  -0.016
  303   2HB   PRO  42          2HB       PRO  42   4.539  18.968   0.607
  304   1HG   PRO  42          1HG       PRO  42   3.672  18.041  -2.102
  305   2HG   PRO  42          2HG       PRO  42   5.131  18.903  -1.663
  306   1HD   PRO  42          1HD       PRO  42   5.051  16.181  -2.190
  307   2HD   PRO  42          2HD       PRO  42   6.270  16.888  -1.126
  308    H    ASN  43           H        ASN  43   2.629  15.990  -1.251
  309    HA   ASN  43           HA       ASN  43  -0.065  15.756  -0.502
  310   1HB   ASN  43          1HB       ASN  43   0.853  15.415  -2.856
  311   2HB   ASN  43          2HB       ASN  43   1.659  13.953  -2.335
  312   1HD2  ASN  43          1HD2      ASN  43  -2.265  13.915  -3.340
  313   2HD2  ASN  43          2HD2      ASN  43  -1.322  15.360  -3.418
  314    H    LYS  44           H        LYS  44  -1.222  13.926   0.605
  315    HA   LYS  44           HA       LYS  44   0.716  12.216   2.127
  316   1HB   LYS  44          1HB       LYS  44  -2.074  13.137   2.865
  317   2HB   LYS  44          2HB       LYS  44  -1.075  12.119   3.859
  318   1HG   LYS  44          1HG       LYS  44  -0.131  14.916   2.999
  319   2HG   LYS  44          2HG       LYS  44  -1.201  14.675   4.329
  320   1HD   LYS  44          1HD       LYS  44   0.948  14.887   5.250
  321   2HD   LYS  44          2HD       LYS  44   0.434  13.253   5.519
  322   1HE   LYS  44          1HE       LYS  44   2.875  13.570   4.890
  323   2HE   LYS  44          2HE       LYS  44   2.049  12.387   3.908
  324   1HZ   LYS  44          1HZ       LYS  44   2.199  15.154   2.902
  325   2HZ   LYS  44          2HZ       LYS  44   3.554  14.130   2.769
  326   3HZ   LYS  44          3HZ       LYS  44   2.127  13.694   2.099
  327    H    ASN  45           H        ASN  45   0.776  11.120   0.101
  328    HA   ASN  45           HA       ASN  45  -1.463   9.302  -0.412
  329   1HB   ASN  45          1HB       ASN  45   0.056   8.368  -2.205
  330   2HB   ASN  45          2HB       ASN  45  -0.329  10.072  -2.397
  331   1HD2  ASN  45          1HD2      ASN  45   3.278   9.712  -3.091
  332   2HD2  ASN  45          2HD2      ASN  45   1.853   9.080  -3.825
  333    H    LEU  46           H        LEU  46   2.039   8.858   0.345
  334    HA   LEU  46           HA       LEU  46   1.443   6.175   1.326
  335   1HB   LEU  46          1HB       LEU  46   4.006   7.842   1.611
  336   2HB   LEU  46          2HB       LEU  46   3.834   6.183   2.045
  337    HG   LEU  46           HG       LEU  46   4.711   5.727   0.062
  338   1HD1  LEU  46          1HD1      LEU  46   2.339   5.024  -0.405
  339   2HD1  LEU  46          2HD1      LEU  46   2.080   6.555  -1.240
  340   3HD1  LEU  46          3HD1      LEU  46   3.266   5.409  -1.843
  341   1HD2  LEU  46          1HD2      LEU  46   3.956   8.478  -0.944
  342   2HD2  LEU  46          2HD2      LEU  46   5.501   7.973  -0.287
  343   3HD2  LEU  46          3HD2      LEU  46   4.944   7.316  -1.821
  344    H    LYS  47           H        LYS  47   1.103   5.523   3.315
  345    HA   LYS  47           HA       LYS  47   1.318   7.493   5.533
  346   1HB   LYS  47          1HB       LYS  47  -1.022   6.908   4.820
  347   2HB   LYS  47          2HB       LYS  47  -0.786   5.257   5.290
  348   1HG   LYS  47          1HG       LYS  47  -0.954   5.795   7.589
  349   2HG   LYS  47          2HG       LYS  47  -0.054   7.265   7.386
  350   1HD   LYS  47          1HD       LYS  47  -2.271   7.888   8.051
  351   2HD   LYS  47          2HD       LYS  47  -2.022   8.411   6.407
  352   1HE   LYS  47          1HE       LYS  47  -3.291   6.348   5.608
  353   2HE   LYS  47          2HE       LYS  47  -3.619   5.936   7.279
  354   1HZ   LYS  47          1HZ       LYS  47  -4.867   8.010   7.490
  355   2HZ   LYS  47          2HZ       LYS  47  -4.536   8.368   5.857
  356   3HZ   LYS  47          3HZ       LYS  47  -5.409   7.021   6.223
  357    H    LYS  48           H        LYS  48   0.516   4.586   6.890
  358    HA   LYS  48           HA       LYS  48   3.372   4.081   7.438
  359   1HB   LYS  48          1HB       LYS  48   0.952   2.698   8.701
  360   2HB   LYS  48          2HB       LYS  48   2.614   2.473   9.156
  361   1HG   LYS  48          1HG       LYS  48   0.932   4.980   9.467
  362   2HG   LYS  48          2HG       LYS  48   1.696   4.042  10.715
  363   1HD   LYS  48          1HD       LYS  48   3.054   5.877   8.680
  364   2HD   LYS  48          2HD       LYS  48   2.902   6.160  10.381
  365   1HE   LYS  48          1HE       LYS  48   4.510   4.413  10.934
  366   2HE   LYS  48          2HE       LYS  48   4.491   3.761   9.314
  367   1HZ   LYS  48          1HZ       LYS  48   5.643   6.391  10.034
  368   2HZ   LYS  48          2HZ       LYS  48   6.420   4.932   9.604
  369   3HZ   LYS  48          3HZ       LYS  48   5.599   5.705   8.474
  370    H    ASN  49           H        ASN  49   1.170   1.272   7.162
  371    HA   ASN  49           HA       ASN  49   2.764   0.517   4.730
  372   1HB   ASN  49          1HB       ASN  49   2.611  -1.824   5.465
  373   2HB   ASN  49          2HB       ASN  49   3.412  -0.875   6.705
  374   1HD2  ASN  49          1HD2      ASN  49   0.976  -3.278   8.205
  375   2HD2  ASN  49          2HD2      ASN  49   2.271  -3.392   7.101
  376    H    TYR  50           H        TYR  50  -0.121   1.465   5.804
  377    HA   TYR  50           HA       TYR  50  -1.968  -0.157   4.525
  378   1HB   TYR  50          1HB       TYR  50  -2.166   2.896   4.635
  379   2HB   TYR  50          2HB       TYR  50  -3.507   1.780   4.642
  380    HD1  TYR  50           HD1      TYR  50  -2.536  -0.248   6.679
  381    HD2  TYR  50           HD2      TYR  50  -2.360   4.017   6.672
  382    HE1  TYR  50           HE1      TYR  50  -2.413  -0.273   9.097
  383    HE2  TYR  50           HE2      TYR  50  -2.255   4.000   9.144
  384    HH   TYR  50           HH       TYR  50  -1.470   1.384  10.931
  385    H    CYS  51           H        CYS  51  -2.593  -0.548   2.525
  386    HA   CYS  51           HA       CYS  51  -0.824  -0.031   0.458
  387   1HB   CYS  51          1HB       CYS  51  -3.754  -0.790   0.045
  388   2HB   CYS  51          2HB       CYS  51  -2.386  -1.284  -0.917
  389    H    ARG  52           H        ARG  52  -1.186   0.989  -1.676
  390    HA   ARG  52           HA       ARG  52  -3.050   3.258  -1.709
  391   1HB   ARG  52          1HB       ARG  52   0.016   3.445  -1.457
  392   2HB   ARG  52          2HB       ARG  52  -0.723   4.614  -2.490
  393   1HG   ARG  52          1HG       ARG  52  -1.423   4.362   0.409
  394   2HG   ARG  52          2HG       ARG  52  -0.401   5.547  -0.355
  395   1HD   ARG  52          1HD       ARG  52  -3.395   5.162  -0.740
  396   2HD   ARG  52          2HD       ARG  52  -2.591   6.598  -0.126
  397    HE   ARG  52           HE       ARG  52  -1.581   6.421  -2.632
  398   1HH1  ARG  52          1HH1      ARG  52  -4.799   6.505  -1.150
  399   2HH1  ARG  52          2HH1      ARG  52  -5.546   7.268  -2.516
  400   1HH2  ARG  52          1HH2      ARG  52  -2.780   7.143  -4.650
  401   2HH2  ARG  52          2HH2      ARG  52  -4.406   7.647  -4.484
  402    H    ASN  53           H        ASN  53  -2.480   4.576  -3.525
  403    HA   ASN  53           HA       ASN  53  -1.925   3.083  -6.018
  404   1HB   ASN  53          1HB       ASN  53  -4.184   5.101  -5.364
  405   2HB   ASN  53          2HB       ASN  53  -3.804   4.685  -7.005
  406   1HD2  ASN  53          1HD2      ASN  53  -5.591   1.732  -7.010
  407   2HD2  ASN  53          2HD2      ASN  53  -4.840   2.933  -7.946
  408    HA   PRO  54           HA       PRO  54   0.633   6.962  -5.599
  409   1HB   PRO  54          1HB       PRO  54   2.898   5.132  -6.325
  410   2HB   PRO  54          2HB       PRO  54   2.813   6.307  -5.019
  411   1HG   PRO  54          1HG       PRO  54   2.753   3.623  -4.525
  412   2HG   PRO  54          2HG       PRO  54   1.810   4.756  -3.571
  413   1HD   PRO  54          1HD       PRO  54   0.780   3.034  -5.836
  414   2HD   PRO  54          2HD       PRO  54   0.114   3.357  -4.253
  415    H    ASP  55           H        ASP  55   1.126   4.175  -7.734
  416    HA   ASP  55           HA       ASP  55   1.208   5.892 -10.146
  417   1HB   ASP  55          1HB       ASP  55   2.254   3.769 -11.169
  418   2HB   ASP  55          2HB       ASP  55   3.210   4.618  -9.975
  419    H    ARG  56           H        ARG  56  -0.969   4.826  -8.413
  420    HA   ARG  56           HA       ARG  56  -2.876   3.613  -8.525
  421   1HB   ARG  56          1HB       ARG  56  -4.502   5.072  -9.817
  422   2HB   ARG  56          2HB       ARG  56  -3.570   5.874  -8.644
  423   1HG   ARG  56          1HG       ARG  56  -2.496   5.871 -11.480
  424   2HG   ARG  56          2HG       ARG  56  -3.812   6.924 -11.053
  425   1HD   ARG  56          1HD       ARG  56  -1.101   6.975  -9.604
  426   2HD   ARG  56          2HD       ARG  56  -1.678   8.158 -10.787
  427    HE   ARG  56           HE       ARG  56  -3.690   8.048  -8.967
  428   1HH1  ARG  56          1HH1      ARG  56  -0.202   8.568  -8.512
  429   2HH1  ARG  56          2HH1      ARG  56  -0.436   9.888  -7.436
  430   1HH2  ARG  56          1HH2      ARG  56  -3.934   9.296  -7.223
  431   2HH2  ARG  56          2HH2      ARG  56  -2.660  10.264  -6.560
  432    H    GLU  57           H        GLU  57  -2.205   1.778  -9.160
  433    HA   GLU  57           HA       GLU  57  -2.507   0.707 -11.799
  434   1HB   GLU  57          1HB       GLU  57  -1.669  -1.300 -10.715
  435   2HB   GLU  57          2HB       GLU  57  -0.914   0.017  -9.878
  436   1HG   GLU  57          1HG       GLU  57  -3.119  -1.799  -8.821
  437   2HG   GLU  57          2HG       GLU  57  -1.558  -1.551  -8.187
  438    H    LEU  58           H        LEU  58  -3.786  -1.724 -10.712
  439    HA   LEU  58           HA       LEU  58  -6.572  -1.001 -11.137
  440   1HB   LEU  58          1HB       LEU  58  -5.632  -3.054 -12.132
  441   2HB   LEU  58          2HB       LEU  58  -5.192  -3.681 -10.574
  442    HG   LEU  58           HG       LEU  58  -7.599  -3.809  -9.932
  443   1HD1  LEU  58          1HD1      LEU  58  -8.134  -2.936 -12.812
  444   2HD1  LEU  58          2HD1      LEU  58  -9.346  -3.576 -11.706
  445   3HD1  LEU  58          3HD1      LEU  58  -8.571  -2.042 -11.355
  446   1HD2  LEU  58          1HD2      LEU  58  -6.449  -5.783 -10.875
  447   2HD2  LEU  58          2HD2      LEU  58  -8.143  -5.758 -11.350
  448   3HD2  LEU  58          3HD2      LEU  58  -6.898  -5.287 -12.505
  449    H    ARG  59           H        ARG  59  -5.207  -3.108  -8.590
  450    HA   ARG  59           HA       ARG  59  -7.064  -1.906  -6.653
  451   1HB   ARG  59          1HB       ARG  59  -7.305  -4.347  -7.419
  452   2HB   ARG  59          2HB       ARG  59  -5.795  -4.727  -6.651
  453   1HG   ARG  59          1HG       ARG  59  -6.802  -4.134  -4.426
  454   2HG   ARG  59          2HG       ARG  59  -8.300  -3.724  -5.253
  455   1HD   ARG  59          1HD       ARG  59  -8.247  -6.201  -6.164
  456   2HD   ARG  59          2HD       ARG  59  -7.000  -6.462  -4.924
  457    HE   ARG  59           HE       ARG  59  -9.397  -5.098  -4.054
  458   1HH1  ARG  59          1HH1      ARG  59  -7.912  -8.265  -4.626
  459   2HH1  ARG  59          2HH1      ARG  59  -8.666  -9.034  -3.265
  460   1HH2  ARG  59          1HH2      ARG  59 -10.602  -6.256  -2.339
  461   2HH2  ARG  59          2HH2      ARG  59 -10.183  -7.888  -1.973
  462    HA   PRO  61           HA       PRO  61  -3.664   0.078  -4.848
  463   1HB   PRO  61          1HB       PRO  61  -4.217  -0.150  -2.035
  464   2HB   PRO  61          2HB       PRO  61  -4.888   1.027  -3.132
  465   1HG   PRO  61          1HG       PRO  61  -6.044  -1.599  -2.261
  466   2HG   PRO  61          2HG       PRO  61  -6.884  -0.053  -2.404
  467   1HD   PRO  61          1HD       PRO  61  -7.139  -1.984  -4.284
  468   2HD   PRO  61          2HD       PRO  61  -7.002  -0.313  -4.821
  469    H    TRP  62           H        TRP  62  -1.557  -0.356  -4.414
  470    HA   TRP  62           HA       TRP  62  -0.954  -3.050  -3.230
  471   1HB   TRP  62          1HB       TRP  62   1.076  -3.160  -4.643
  472   2HB   TRP  62          2HB       TRP  62  -0.311  -2.847  -5.647
  473    HD1  TRP  62           HD1      TRP  62  -0.440  -0.470  -6.886
  474    HE1  TRP  62           HE1      TRP  62   1.270   1.329  -7.368
  475    HE3  TRP  62           HE3      TRP  62   3.142  -2.003  -3.667
  476    HZ2  TRP  62           HZ2      TRP  62   3.820   2.102  -6.316
  477    HZ3  TRP  62           HZ3      TRP  62   5.218  -0.706  -3.393
  478    HH2  TRP  62           HH2      TRP  62   5.565   1.347  -4.726
  479    H    CYS  63           H        CYS  63   1.252  -3.260  -2.355
  480    HA   CYS  63           HA       CYS  63   2.641  -0.961  -1.364
  481   1HB   CYS  63          1HB       CYS  63   2.507  -1.795   1.125
  482   2HB   CYS  63          2HB       CYS  63   1.183  -0.865   0.526
  483    H    PHE  64           H        PHE  64   4.550  -1.675  -0.056
  484    HA   PHE  64           HA       PHE  64   5.790  -3.839  -1.547
  485   1HB   PHE  64          1HB       PHE  64   6.779  -2.059   0.751
  486   2HB   PHE  64          2HB       PHE  64   7.807  -3.213  -0.079
  487    HD1  PHE  64           HD1      PHE  64   7.702  -3.046  -2.748
  488    HD2  PHE  64           HD2      PHE  64   6.925   0.178  -0.039
  489    HE1  PHE  64           HE1      PHE  64   8.265  -1.395  -4.515
  490    HE2  PHE  64           HE2      PHE  64   7.522   1.791  -1.810
  491    HZ   PHE  64           HZ       PHE  64   8.242   0.966  -4.032
  492    H    THR  65           H        THR  65   6.797  -5.701  -0.488
  493    HA   THR  65           HA       THR  65   5.206  -6.492   1.928
  494    HB   THR  65           HB       THR  65   5.120  -8.625   1.263
  495    HG1  THR  65           HG1      THR  65   7.464  -8.468  -0.260
  496   1HG2  THR  65          1HG2      THR  65   4.066  -7.347  -0.597
  497   2HG2  THR  65          2HG2      THR  65   5.536  -7.456  -1.536
  498   3HG2  THR  65          3HG2      THR  65   4.660  -8.922  -1.108
  499    H    THR  66           H        THR  66   6.433  -8.169   3.342
  500    HA   THR  66           HA       THR  66   8.837  -6.817   4.211
  501    HB   THR  66           HB       THR  66   8.609  -8.720   5.986
  502    HG1  THR  66           HG1      THR  66   7.430 -10.185   4.611
  503   1HG2  THR  66          1HG2      THR  66   6.123  -6.997   5.484
  504   2HG2  THR  66          2HG2      THR  66   6.549  -7.791   6.992
  505   3HG2  THR  66          3HG2      THR  66   7.560  -6.491   6.366
  506    H    ASP  67           H        ASP  67   8.138  -9.317   1.927
  507    HA   ASP  67           HA       ASP  67  10.444 -10.932   2.580
  508   1HB   ASP  67          1HB       ASP  67   8.429 -11.966   1.672
  509   2HB   ASP  67          2HB       ASP  67   8.564 -11.025   0.194
  510    HA   PRO  68           HA       PRO  68  13.311  -8.369   0.190
  511   1HB   PRO  68          1HB       PRO  68  14.924 -10.927   0.166
  512   2HB   PRO  68          2HB       PRO  68  15.460  -9.304   0.580
  513   1HG   PRO  68          1HG       PRO  68  14.955 -11.156   2.523
  514   2HG   PRO  68          2HG       PRO  68  14.487  -9.474   2.757
  515   1HD   PRO  68          1HD       PRO  68  12.683 -11.784   2.002
  516   2HD   PRO  68          2HD       PRO  68  12.393 -10.404   3.088
  517    H    ASN  69           H        ASN  69  11.645 -11.003  -1.150
  518    HA   ASN  69           HA       ASN  69  12.875 -10.405  -3.825
  519   1HB   ASN  69          1HB       ASN  69  11.679 -13.066  -2.851
  520   2HB   ASN  69          2HB       ASN  69  12.121 -12.721  -4.507
  521   1HD2  ASN  69          1HD2      ASN  69  15.673 -12.378  -2.908
  522   2HD2  ASN  69          2HD2      ASN  69  14.558 -11.067  -3.018
  523    H    LYS  70           H        LYS  70   9.888 -11.049  -1.986
  524    HA   LYS  70           HA       LYS  70   8.354 -10.321  -4.384
  525   1HB   LYS  70          1HB       LYS  70   7.524 -12.012  -2.601
  526   2HB   LYS  70          2HB       LYS  70   7.302 -10.684  -1.532
  527   1HG   LYS  70          1HG       LYS  70   5.161 -10.905  -2.509
  528   2HG   LYS  70          2HG       LYS  70   5.851  -9.582  -3.396
  529   1HD   LYS  70          1HD       LYS  70   6.669 -11.782  -4.942
  530   2HD   LYS  70          2HD       LYS  70   5.185 -12.369  -4.265
  531   1HE   LYS  70          1HE       LYS  70   5.612 -10.026  -6.158
  532   2HE   LYS  70          2HE       LYS  70   4.525 -11.398  -6.319
  533   1HZ   LYS  70          1HZ       LYS  70   3.370 -10.367  -4.299
  534   2HZ   LYS  70          2HZ       LYS  70   4.236  -8.965  -4.724
  535   3HZ   LYS  70          3HZ       LYS  70   3.163  -9.651  -5.815
  536    H    ARG  71           H        ARG  71   9.326  -8.353  -4.706
  537    HA   ARG  71           HA       ARG  71   9.569  -6.268  -2.870
  538   1HB   ARG  71          1HB       ARG  71  10.610  -6.318  -5.106
  539   2HB   ARG  71          2HB       ARG  71   9.102  -6.053  -5.890
  540   1HG   ARG  71          1HG       ARG  71   9.571  -3.923  -3.896
  541   2HG   ARG  71          2HG       ARG  71  11.000  -4.134  -4.840
  542   1HD   ARG  71          1HD       ARG  71   8.224  -3.448  -5.941
  543   2HD   ARG  71          2HD       ARG  71   9.662  -2.425  -5.862
  544    HE   ARG  71           HE       ARG  71   9.605  -4.935  -7.429
  545   1HH1  ARG  71          1HH1      ARG  71   9.515  -1.431  -7.599
  546   2HH1  ARG  71          2HH1      ARG  71  10.644  -1.256  -8.865
  547   1HH2  ARG  71          1HH2      ARG  71  10.954  -4.779  -9.339
  548   2HH2  ARG  71          2HH2      ARG  71  11.231  -3.243 -10.059
  549    H    TRP  72           H        TRP  72   7.033  -6.028  -5.426
  550    HA   TRP  72           HA       TRP  72   5.298  -4.705  -3.426
  551   1HB   TRP  72          1HB       TRP  72   4.262  -3.526  -5.244
  552   2HB   TRP  72          2HB       TRP  72   5.961  -3.276  -5.423
  553    HD1  TRP  72           HD1      TRP  72   7.232  -5.057  -7.365
  554    HE1  TRP  72           HE1      TRP  72   6.307  -5.572  -9.678
  555    HE3  TRP  72           HE3      TRP  72   2.364  -3.915  -6.527
  556    HZ2  TRP  72           HZ2      TRP  72   3.788  -5.457 -11.002
  557    HZ3  TRP  72           HZ3      TRP  72   0.713  -4.099  -8.351
  558    HH2  TRP  72           HH2      TRP  72   1.423  -4.829 -10.595
  559    H    GLU  73           H        GLU  73   2.936  -4.965  -3.753
  560    HA   GLU  73           HA       GLU  73   1.978  -7.045  -5.400
  561   1HB   GLU  73          1HB       GLU  73   3.040  -8.371  -3.355
  562   2HB   GLU  73          2HB       GLU  73   1.799  -7.689  -2.416
  563   1HG   GLU  73          1HG       GLU  73   0.038  -8.768  -3.826
  564   2HG   GLU  73          2HG       GLU  73   1.226  -9.317  -4.978
  565    H    LEU  74           H        LEU  74  -0.265  -7.222  -5.404
  566    HA   LEU  74           HA       LEU  74  -1.629  -4.778  -4.694
  567   1HB   LEU  74          1HB       LEU  74  -2.920  -7.406  -5.620
  568   2HB   LEU  74          2HB       LEU  74  -3.614  -5.818  -5.713
  569    HG   LEU  74           HG       LEU  74  -1.253  -6.868  -7.335
  570   1HD1  LEU  74          1HD1      LEU  74  -3.479  -7.686  -8.067
  571   2HD1  LEU  74          2HD1      LEU  74  -4.056  -6.027  -8.201
  572   3HD1  LEU  74          3HD1      LEU  74  -2.774  -6.606  -9.263
  573   1HD2  LEU  74          1HD2      LEU  74  -2.430  -4.050  -7.386
  574   2HD2  LEU  74          2HD2      LEU  74  -0.809  -4.505  -6.893
  575   3HD2  LEU  74          3HD2      LEU  74  -1.316  -4.696  -8.567
  576    H    CYS  75           H        CYS  75  -3.172  -4.496  -3.130
  577    HA   CYS  75           HA       CYS  75  -3.225  -6.424  -0.908
  578   1HB   CYS  75          1HB       CYS  75  -4.174  -3.541  -1.166
  579   2HB   CYS  75          2HB       CYS  75  -4.309  -4.497   0.298
  580    H    ASP  76           H        ASP  76  -5.145  -6.949   0.191
  581    HA   ASP  76           HA       ASP  76  -7.394  -7.103  -1.736
  582   1HB   ASP  76          1HB       ASP  76  -6.552  -9.250  -0.573
  583   2HB   ASP  76          2HB       ASP  76  -7.342  -8.692   0.869
  584    H    ILE  77           H        ILE  77  -8.194  -5.126  -1.600
  585    HA   ILE  77           HA       ILE  77  -9.036  -4.073   1.039
  586    HB   ILE  77           HB       ILE  77  -8.625  -2.881  -1.700
  587   1HG1  ILE  77          1HG1      ILE  77  -7.413  -1.147  -0.573
  588   2HG1  ILE  77          2HG1      ILE  77  -7.991  -1.552   0.979
  589   1HG2  ILE  77          1HG2      ILE  77 -10.420  -1.555   0.354
  590   2HG2  ILE  77          2HG2      ILE  77  -9.782  -0.778  -1.096
  591   3HG2  ILE  77          3HG2      ILE  77 -10.925  -2.094  -1.244
  592   1HD1  ILE  77          1HD1      ILE  77  -6.251  -3.416  -0.668
  593   2HD1  ILE  77          2HD1      ILE  77  -5.632  -2.309   0.572
  594   3HD1  ILE  77          3HD1      ILE  77  -6.690  -3.639   1.029
  595    HA   PRO  78           HA       PRO  78 -13.117  -5.641   0.088
  596   1HB   PRO  78          1HB       PRO  78 -14.540  -4.491   2.166
  597   2HB   PRO  78          2HB       PRO  78 -13.391  -5.799   2.382
  598   1HG   PRO  78          1HG       PRO  78 -12.956  -2.865   2.886
  599   2HG   PRO  78          2HG       PRO  78 -12.388  -4.208   3.878
  600   1HD   PRO  78          1HD       PRO  78 -10.819  -2.863   2.025
  601   2HD   PRO  78          2HD       PRO  78 -10.506  -4.535   2.527
  602    H    ARG  79           H        ARG  79 -14.492  -5.015  -1.413
  603    HA   ARG  79           HA       ARG  79 -14.635  -2.208  -2.147
  604   1HB   ARG  79          1HB       ARG  79 -14.893  -3.921  -3.906
  605   2HB   ARG  79          2HB       ARG  79 -16.307  -4.591  -3.124
  606   1HG   ARG  79          1HG       ARG  79 -17.582  -2.547  -3.520
  607   2HG   ARG  79          2HG       ARG  79 -16.166  -1.694  -4.054
  608   1HD   ARG  79          1HD       ARG  79 -17.382  -2.183  -6.053
  609   2HD   ARG  79          2HD       ARG  79 -16.028  -3.296  -6.047
  610    HE   ARG  79           HE       ARG  79 -17.447  -4.990  -6.021
  611   1HH1  ARG  79          1HH1      ARG  79 -19.131  -2.266  -4.464
  612   2HH1  ARG  79          2HH1      ARG  79 -20.705  -2.856  -4.744
  613   1HH2  ARG  79          1HH2      ARG  79 -19.596  -5.887  -6.214
  614   2HH2  ARG  79          2HH2      ARG  79 -20.968  -5.041  -5.624
  615    H    CYS  80           H        CYS  80 -16.426  -0.807  -1.903
  616    HA   CYS  80           HA       CYS  80 -18.055  -1.233   0.453
  617   1HB   CYS  80          1HB       CYS  80 -18.439   0.786  -1.826
  618   2HB   CYS  80          2HB       CYS  80 -19.253   0.847  -0.281
  619    H    THR  81           H        THR  81 -19.740  -2.571   0.566
  620    HA   THR  81           HA       THR  81 -21.462  -3.008  -1.802
  621    HB   THR  81           HB       THR  81 -21.472  -5.468  -1.022
  622    HG1  THR  81           HG1      THR  81 -20.577  -4.856   1.101
  623   1HG2  THR  81          1HG2      THR  81 -18.724  -4.392  -1.865
  624   2HG2  THR  81          2HG2      THR  81 -19.236  -6.066  -1.946
  625   3HG2  THR  81          3HG2      THR  81 -20.038  -4.854  -2.934
  626    H1   AMH  84           H1       AMH  84   6.528  -1.772  -9.428
  627   1H2   AMH  84          1H2       AMH  84   6.658   0.535 -10.393
  628   2H2   AMH  84          2H2       AMH  84   5.727   1.121  -9.006
  629   1H3   AMH  84          1H3       AMH  84   4.358   0.803 -11.094
  630   2H3   AMH  84          2H3       AMH  84   4.711  -0.926 -11.026
  631    H4   AMH  84           H4       AMH  84   3.286   0.651  -8.828
  632   1H5   AMH  84          1H5       AMH  84   3.024  -1.641  -7.823
  633   2H5   AMH  84          2H5       AMH  84   3.898  -2.306  -9.181
  634   1H6   AMH  84          1H6       AMH  84   5.483  -2.131  -7.301
  635   2H6   AMH  84          2H6       AMH  84   5.109  -0.437  -7.112
  636   1H7   AMH  84          1H7       AMH  84   2.070  -1.683 -10.334
  637   2H7   AMH  84          2H7       AMH  84   1.269  -0.383  -9.410
  638   1HN   AMH  84          1HN       AMH  84   1.906   1.121 -11.148
  639   2HN   AMH  84          2HN       AMH  84   2.547  -0.114 -12.020
  640   3HN   AMH  84          3HN       AMH  84   0.950  -0.085 -11.699
  Start of MODEL   15
    1   1H    THR  -4          1H        THR  -4 -11.811   1.384   9.784
    2   2H    THR  -4          2H        THR  -4 -12.971   0.526  10.624
    3   3H    THR  -4          3H        THR  -4 -12.365  -0.028   9.178
    4    HA   THR  -4           HA       THR  -4 -14.038   0.823   8.238
    5    HB   THR  -4           HB       THR  -4 -14.736   2.753  10.472
    6    HG1  THR  -4           HG1      THR  -4 -15.214   0.841  11.788
    7   1HG2  THR  -4          1HG2      THR  -4 -16.364   2.158   8.623
    8   2HG2  THR  -4          2HG2      THR  -4 -16.337   0.481   9.157
    9   3HG2  THR  -4          3HG2      THR  -4 -16.992   1.739  10.206
   10    H    SER  -3           H        SER  -3 -12.213   3.265  10.092
   11    HA   SER  -3           HA       SER  -3 -12.735   5.564   8.767
   12   1HB   SER  -3          1HB       SER  -3 -10.528   6.302   9.657
   13   2HB   SER  -3          2HB       SER  -3 -11.358   5.329  10.834
   14    HG   SER  -3           HG       SER  -3 -10.022   3.512   9.790
   15    H    GLU  -2           H        GLU  -2 -12.970   5.537   6.638
   16    HA   GLU  -2           HA       GLU  -2 -12.466   5.808   4.456
   17   1HB   GLU  -2          1HB       GLU  -2  -9.512   6.090   5.254
   18   2HB   GLU  -2          2HB       GLU  -2 -10.291   6.703   3.836
   19   1HG   GLU  -2          1HG       GLU  -2 -10.024   8.597   5.183
   20   2HG   GLU  -2          2HG       GLU  -2 -11.712   8.212   5.399
   21    H    GLU  -1           H        GLU  -1 -12.457   3.186   5.658
   22    HA   GLU  -1           HA       GLU  -1 -10.335   1.755   4.195
   23   1HB   GLU  -1          1HB       GLU  -1 -12.158   1.040   6.497
   24   2HB   GLU  -1          2HB       GLU  -1 -11.207  -0.191   5.739
   25   1HG   GLU  -1          1HG       GLU  -1  -9.120   0.722   6.407
   26   2HG   GLU  -1          2HG       GLU  -1  -9.781   2.317   6.691
   27    H    CYS   1           H        CYS   1 -13.637   2.429   3.499
   28    HA   CYS   1           HA       CYS   1 -13.664  -0.096   1.912
   29   1HB   CYS   1          1HB       CYS   1 -15.931  -0.287   1.958
   30   2HB   CYS   1          2HB       CYS   1 -15.557   0.135   3.589
   31    H    MET   2           H        MET   2 -13.873  -0.015  -0.203
   32    HA   MET   2           HA       MET   2 -14.074   2.645  -1.580
   33   1HB   MET   2          1HB       MET   2 -11.888   0.487  -1.724
   34   2HB   MET   2          2HB       MET   2 -12.165   1.473  -3.129
   35   1HG   MET   2          1HG       MET   2 -10.320   2.245  -1.844
   36   2HG   MET   2          2HG       MET   2 -11.505   3.491  -2.175
   37   1HE   MET   2          1HE       MET   2  -9.851   1.123   0.199
   38   2HE   MET   2          2HE       MET   2 -10.381   1.567   1.811
   39   3HE   MET   2          3HE       MET   2 -11.472   0.668   0.738
   40    H    HIS   3           H        HIS   3 -13.906   2.120  -4.011
   41    HA   HIS   3           HA       HIS   3 -16.126   0.385  -4.717
   42   1HB   HIS   3          1HB       HIS   3 -14.093   1.824  -6.535
   43   2HB   HIS   3          2HB       HIS   3 -15.597   1.103  -7.074
   44    HD1  HIS   3           HD1      HIS   3 -17.712   2.164  -5.251
   45    HD2  HIS   3           HD2      HIS   3 -14.385   4.476  -6.363
   46    HE1  HIS   3           HE1      HIS   3 -18.334   4.601  -4.905
   47    H    GLY   4           H        GLY   4 -12.635   0.253  -4.660
   48   1HA   GLY   4          1HA       GLY   4 -12.133  -2.319  -4.350
   49   2HA   GLY   4          2HA       GLY   4 -12.542  -2.347  -6.083
   50    H    SER   5           H        SER   5 -11.383   0.353  -6.643
   51    HA   SER   5           HA       SER   5  -8.658  -0.592  -6.987
   52   1HB   SER   5          1HB       SER   5  -8.723   1.590  -8.468
   53   2HB   SER   5          2HB       SER   5  -9.772   0.243  -8.931
   54    HG   SER   5           HG       SER   5 -10.964   2.278  -8.754
   55    H    GLY   6           H        GLY   6 -10.408   1.996  -5.439
   56   1HA   GLY   6          1HA       GLY   6  -9.738   3.456  -3.717
   57   2HA   GLY   6          2HA       GLY   6  -8.435   2.283  -3.414
   58    H    GLU   7           H        GLU   7  -9.331   4.731  -5.819
   59    HA   GLU   7           HA       GLU   7  -6.663   5.406  -6.566
   60   1HB   GLU   7          1HB       GLU   7  -8.675   5.870  -7.950
   61   2HB   GLU   7          2HB       GLU   7  -9.299   6.974  -6.760
   62   1HG   GLU   7          1HG       GLU   7  -8.346   8.253  -8.594
   63   2HG   GLU   7          2HG       GLU   7  -7.344   8.523  -7.186
   64    H    ASN   8           H        ASN   8  -8.998   7.219  -4.641
   65    HA   ASN   8           HA       ASN   8  -6.843   8.868  -3.437
   66   1HB   ASN   8          1HB       ASN   8  -8.916   9.931  -4.383
   67   2HB   ASN   8          2HB       ASN   8  -9.904   9.045  -3.240
   68   1HD2  ASN   8          1HD2      ASN   8  -9.913  11.971  -1.359
   69   2HD2  ASN   8          2HD2      ASN   8 -10.798  10.900  -2.373
   70    H    TYR   9           H        TYR   9  -7.953   5.930  -2.796
   71    HA   TYR   9           HA       TYR   9  -8.889   5.865  -0.165
   72   1HB   TYR   9          1HB       TYR   9  -9.020   3.873  -1.430
   73   2HB   TYR   9          2HB       TYR   9  -7.353   3.975  -1.970
   74    HD1  TYR   9           HD1      TYR   9  -8.954   3.864   1.433
   75    HD2  TYR   9           HD2      TYR   9  -6.199   2.114  -1.324
   76    HE1  TYR   9           HE1      TYR   9  -8.243   2.263   3.147
   77    HE2  TYR   9           HE2      TYR   9  -5.504   0.543   0.358
   78    HH   TYR   9           HH       TYR   9  -5.463   0.190   2.816
   79    H    ASP  10           H        ASP  10  -8.033   6.483   1.715
   80    HA   ASP  10           HA       ASP  10  -5.120   6.334   1.988
   81   1HB   ASP  10          1HB       ASP  10  -5.314   8.468   3.331
   82   2HB   ASP  10          2HB       ASP  10  -5.621   8.557   1.600
   83    H    GLY  11           H        GLY  11  -7.756   4.596   3.060
   84   1HA   GLY  11          1HA       GLY  11  -7.628   4.967   5.763
   85   2HA   GLY  11          2HA       GLY  11  -8.350   3.679   4.808
   86    H    LYS  12           H        LYS  12  -7.719   2.262   6.059
   87    HA   LYS  12           HA       LYS  12  -4.898   2.090   7.031
   88   1HB   LYS  12          1HB       LYS  12  -7.231   0.742   8.404
   89   2HB   LYS  12          2HB       LYS  12  -5.705   1.188   9.096
   90   1HG   LYS  12          1HG       LYS  12  -7.986   3.023   8.204
   91   2HG   LYS  12          2HG       LYS  12  -7.503   2.688   9.835
   92   1HD   LYS  12          1HD       LYS  12  -5.363   3.895   9.514
   93   2HD   LYS  12          2HD       LYS  12  -5.731   4.198   7.847
   94   1HE   LYS  12          1HE       LYS  12  -7.235   5.324  10.256
   95   2HE   LYS  12          2HE       LYS  12  -6.247   6.214   9.108
   96   1HZ   LYS  12          1HZ       LYS  12  -7.980   5.605   7.389
   97   2HZ   LYS  12          2HZ       LYS  12  -8.894   4.973   8.635
   98   3HZ   LYS  12          3HZ       LYS  12  -8.509   6.600   8.580
   99    H    ILE  13           H        ILE  13  -6.760   0.070   4.899
  100    HA   ILE  13           HA       ILE  13  -5.740  -2.390   6.049
  101    HB   ILE  13           HB       ILE  13  -6.742  -2.020   3.204
  102   1HG1  ILE  13          1HG1      ILE  13  -8.757  -3.338   4.620
  103   2HG1  ILE  13          2HG1      ILE  13  -8.224  -2.171   5.790
  104   1HG2  ILE  13          1HG2      ILE  13  -6.277  -4.522   4.866
  105   2HG2  ILE  13          2HG2      ILE  13  -7.224  -4.481   3.388
  106   3HG2  ILE  13          3HG2      ILE  13  -5.528  -4.077   3.323
  107   1HD1  ILE  13          1HD1      ILE  13  -9.024  -1.563   2.899
  108   2HD1  ILE  13          2HD1      ILE  13 -10.065  -1.367   4.296
  109   3HD1  ILE  13          3HD1      ILE  13  -8.631  -0.342   4.100
  110    H    SER  14           H        SER  14  -3.978  -3.377   5.729
  111    HA   SER  14           HA       SER  14  -1.872  -2.483   3.825
  112   1HB   SER  14          1HB       SER  14  -1.201  -1.543   5.927
  113   2HB   SER  14          2HB       SER  14  -1.867  -2.828   6.874
  114    HG   SER  14           HG       SER  14  -0.172  -4.168   6.135
  115    H    LYS  15           H        LYS  15  -3.873  -4.779   3.810
  116    HA   LYS  15           HA       LYS  15  -2.024  -7.091   4.232
  117   1HB   LYS  15          1HB       LYS  15  -4.741  -6.596   4.940
  118   2HB   LYS  15          2HB       LYS  15  -4.874  -7.763   3.665
  119   1HG   LYS  15          1HG       LYS  15  -3.013  -8.015   6.054
  120   2HG   LYS  15          2HG       LYS  15  -4.613  -8.660   6.087
  121   1HD   LYS  15          1HD       LYS  15  -4.161 -10.315   4.415
  122   2HD   LYS  15          2HD       LYS  15  -2.721  -9.514   3.858
  123   1HE   LYS  15          1HE       LYS  15  -2.990 -10.811   6.621
  124   2HE   LYS  15          2HE       LYS  15  -2.121 -11.475   5.232
  125   1HZ   LYS  15          1HZ       LYS  15  -0.829  -9.428   5.199
  126   2HZ   LYS  15          2HZ       LYS  15  -1.506  -8.955   6.670
  127   3HZ   LYS  15          3HZ       LYS  15  -0.576 -10.367   6.600
  128    H    THR  16           H        THR  16  -1.043  -8.083   2.569
  129    HA   THR  16           HA       THR  16  -1.839  -7.360  -0.076
  130    HB   THR  16           HB       THR  16   0.005  -8.427  -0.880
  131    HG1  THR  16           HG1      THR  16   0.154 -10.465  -0.097
  132   1HG2  THR  16          1HG2      THR  16   0.649  -6.508   0.510
  133   2HG2  THR  16          2HG2      THR  16   0.884  -7.560   1.908
  134   3HG2  THR  16          3HG2      THR  16   1.906  -7.739   0.495
  135    H    MET  17           H        MET  17  -3.070  -8.393  -1.389
  136    HA   MET  17           HA       MET  17  -5.167  -9.829  -0.474
  137   1HB   MET  17          1HB       MET  17  -5.897  -9.991  -2.799
  138   2HB   MET  17          2HB       MET  17  -5.012  -8.514  -2.659
  139   1HG   MET  17          1HG       MET  17  -3.006  -9.663  -3.712
  140   2HG   MET  17          2HG       MET  17  -3.911 -11.139  -3.819
  141   1HE   MET  17          1HE       MET  17  -3.245 -11.328  -6.145
  142   2HE   MET  17          2HE       MET  17  -3.736 -10.285  -7.484
  143   3HE   MET  17          3HE       MET  17  -2.485  -9.752  -6.329
  144    H    SER  18           H        SER  18  -2.165 -11.141  -1.730
  145    HA   SER  18           HA       SER  18  -3.287 -13.889  -1.450
  146   1HB   SER  18          1HB       SER  18  -1.160 -14.245  -3.106
  147   2HB   SER  18          2HB       SER  18  -2.724 -13.738  -3.680
  148    HG   SER  18           HG       SER  18  -0.647 -11.917  -3.072
  149    H    GLY  19           H        GLY  19  -1.955 -12.036   0.742
  150   1HA   GLY  19          1HA       GLY  19  -0.638 -14.260   1.882
  151   2HA   GLY  19          2HA       GLY  19   0.581 -13.372   0.953
  152    H    LEU  20           H        LEU  20   1.233 -11.319   1.546
  153    HA   LEU  20           HA       LEU  20   1.977 -11.539   4.275
  154   1HB   LEU  20          1HB       LEU  20   2.791  -9.720   1.946
  155   2HB   LEU  20          2HB       LEU  20   3.712  -9.846   3.420
  156    HG   LEU  20           HG       LEU  20   3.199 -12.266   1.649
  157   1HD1  LEU  20          1HD1      LEU  20   4.390 -10.533   0.334
  158   2HD1  LEU  20          2HD1      LEU  20   5.623 -10.456   1.597
  159   3HD1  LEU  20          3HD1      LEU  20   5.397 -11.932   0.665
  160   1HD2  LEU  20          1HD2      LEU  20   5.268 -11.733   3.836
  161   2HD2  LEU  20          2HD2      LEU  20   3.873 -12.802   3.986
  162   3HD2  LEU  20          3HD2      LEU  20   5.163 -13.193   2.859
  163    H    GLU  21           H        GLU  21   2.711  -9.410   5.204
  164    HA   GLU  21           HA       GLU  21   0.424  -7.521   5.314
  165   1HB   GLU  21          1HB       GLU  21   0.911  -8.817   7.439
  166   2HB   GLU  21          2HB       GLU  21   2.531  -8.138   7.470
  167   1HG   GLU  21          1HG       GLU  21   1.066  -6.854   8.977
  168   2HG   GLU  21          2HG       GLU  21   1.480  -5.820   7.624
  169    H    CYS  22           H        CYS  22   0.936  -5.410   4.826
  170    HA   CYS  22           HA       CYS  22   3.373  -5.138   3.339
  171   1HB   CYS  22          1HB       CYS  22   1.165  -3.166   3.994
  172   2HB   CYS  22          2HB       CYS  22   2.642  -2.664   3.188
  173    H    GLN  23           H        GLN  23   4.957  -3.872   3.514
  174    HA   GLN  23           HA       GLN  23   6.096  -3.346   6.182
  175   1HB   GLN  23          1HB       GLN  23   7.412  -4.674   4.580
  176   2HB   GLN  23          2HB       GLN  23   7.089  -3.570   3.290
  177   1HG   GLN  23          1HG       GLN  23   8.532  -2.125   5.421
  178   2HG   GLN  23          2HG       GLN  23   9.356  -3.620   5.022
  179   1HE2  GLN  23          1HE2      GLN  23   8.808  -0.758   2.143
  180   2HE2  GLN  23          2HE2      GLN  23   7.783  -0.785   3.504
  181    H    ALA  24           H        ALA  24   6.475  -1.264   6.838
  182    HA   ALA  24           HA       ALA  24   4.761   0.681   5.734
  183   1HB   ALA  24          1HB       ALA  24   7.018   0.919   7.764
  184   2HB   ALA  24          2HB       ALA  24   5.934   2.263   7.380
  185   3HB   ALA  24          3HB       ALA  24   5.299   0.779   8.081
  186    H    TRP  25           H        TRP  25   5.148   2.692   4.760
  187    HA   TRP  25           HA       TRP  25   6.823   2.430   2.464
  188   1HB   TRP  25          1HB       TRP  25   5.242   4.833   3.551
  189   2HB   TRP  25          2HB       TRP  25   6.004   4.809   1.964
  190    HD1  TRP  25           HD1      TRP  25   2.881   3.609   3.807
  191    HE1  TRP  25           HE1      TRP  25   1.270   2.569   2.143
  192    HE3  TRP  25           HE3      TRP  25   5.952   3.397  -0.263
  193    HZ2  TRP  25           HZ2      TRP  25   1.285   1.786  -0.562
  194    HZ3  TRP  25           HZ3      TRP  25   5.079   2.526  -2.410
  195    HH2  TRP  25           HH2      TRP  25   2.726   1.735  -2.556
  196    H    ASP  26           H        ASP  26   8.080   3.064   5.485
  197    HA   ASP  26           HA       ASP  26   9.602   5.419   4.786
  198   1HB   ASP  26          1HB       ASP  26  10.468   5.168   7.095
  199   2HB   ASP  26          2HB       ASP  26   8.737   4.964   7.097
  200    H    SER  27           H        SER  27  11.895   3.957   6.395
  201    HA   SER  27           HA       SER  27  13.008   2.285   4.268
  202   1HB   SER  27          1HB       SER  27  13.798   4.663   3.816
  203   2HB   SER  27          2HB       SER  27  14.502   4.712   5.442
  204    HG   SER  27           HG       SER  27  16.092   4.071   3.859
  205    H    GLN  28           H        GLN  28  13.302   0.538   5.250
  206    HA   GLN  28           HA       GLN  28  14.371   0.443   7.987
  207   1HB   GLN  28          1HB       GLN  28  12.375  -0.962   8.670
  208   2HB   GLN  28          2HB       GLN  28  12.079   0.704   8.368
  209   1HG   GLN  28          1HG       GLN  28  10.798  -1.621   7.050
  210   2HG   GLN  28          2HG       GLN  28  10.219  -0.028   7.387
  211   1HE2  GLN  28          1HE2      GLN  28  10.316   1.055   4.126
  212   2HE2  GLN  28          2HE2      GLN  28   9.639   1.182   5.709
  213    H    SER  29           H        SER  29  12.728  -1.897   5.963
  214    HA   SER  29           HA       SER  29  14.748  -3.347   4.887
  215   1HB   SER  29          1HB       SER  29  13.855  -4.338   7.673
  216   2HB   SER  29          2HB       SER  29  14.449  -5.462   6.483
  217    HG   SER  29           HG       SER  29  15.976  -3.233   7.290
  218    HA   PRO  30           HA       PRO  30  14.435  -6.061   4.371
  219   1HB   PRO  30          1HB       PRO  30  13.372  -6.356   1.587
  220   2HB   PRO  30          2HB       PRO  30  13.947  -7.603   2.693
  221   1HG   PRO  30          1HG       PRO  30  11.283  -7.268   2.246
  222   2HG   PRO  30          2HG       PRO  30  11.845  -7.578   3.886
  223   1HD   PRO  30          1HD       PRO  30  11.170  -4.895   2.644
  224   2HD   PRO  30          2HD       PRO  30  10.643  -5.511   4.215
  225    H    HIS  31           H        HIS  31  13.523  -3.212   2.468
  226    HA   HIS  31           HA       HIS  31  16.277  -2.607   2.198
  227   1HB   HIS  31          1HB       HIS  31  15.223  -4.236   0.042
  228   2HB   HIS  31          2HB       HIS  31  15.299  -2.633  -0.636
  229    HD1  HIS  31           HD1      HIS  31  17.569  -4.843   1.475
  230    HD2  HIS  31           HD2      HIS  31  17.747  -2.027  -1.633
  231    HE1  HIS  31           HE1      HIS  31  20.020  -4.673   0.737
  232    H    ALA  32           H        ALA  32  16.685  -0.561   1.364
  233    HA   ALA  32           HA       ALA  32  14.563   1.318   1.914
  234   1HB   ALA  32          1HB       ALA  32  17.409   1.736   0.807
  235   2HB   ALA  32          2HB       ALA  32  16.354   3.024   1.380
  236   3HB   ALA  32          3HB       ALA  32  16.942   1.802   2.507
  237    H    HIS  33           H        HIS  33  13.112   0.577   0.380
  238    HA   HIS  33           HA       HIS  33  13.475   0.841  -2.474
  239   1HB   HIS  33          1HB       HIS  33  10.897   0.549  -2.465
  240   2HB   HIS  33          2HB       HIS  33  11.743  -0.663  -1.530
  241    HD1  HIS  33           HD1      HIS  33  10.199   2.761  -0.786
  242    HD2  HIS  33           HD2      HIS  33  10.919  -0.952   1.056
  243    HE1  HIS  33           HE1      HIS  33   9.169   2.869   1.461
  244    H    GLY  34           H        GLY  34  11.958   2.313  -3.763
  245   1HA   GLY  34          1HA       GLY  34  12.561   5.089  -3.042
  246   2HA   GLY  34          2HA       GLY  34  11.715   4.518  -4.504
  247    H    TYR  36           H        TYR  36  10.232   6.437  -3.976
  248    HA   TYR  36           HA       TYR  36   8.176   7.189  -3.273
  249   1HB   TYR  36          1HB       TYR  36   7.681   4.334  -2.181
  250   2HB   TYR  36          2HB       TYR  36   6.510   5.577  -2.264
  251    HD1  TYR  36           HD1      TYR  36   8.963   4.150  -4.847
  252    HD2  TYR  36           HD2      TYR  36   4.892   5.102  -3.843
  253    HE1  TYR  36           HE1      TYR  36   8.249   3.387  -7.001
  254    HE2  TYR  36           HE2      TYR  36   4.218   4.225  -6.039
  255    HH   TYR  36           HH       TYR  36   6.307   2.535  -8.091
  256    H    ILE  37           H        ILE  37   9.775   8.307  -1.968
  257    HA   ILE  37           HA       ILE  37  10.289   7.377   0.751
  258    HB   ILE  37           HB       ILE  37  11.318   9.744  -0.830
  259   1HG1  ILE  37          1HG1      ILE  37  12.672   7.113  -0.069
  260   2HG1  ILE  37          2HG1      ILE  37  11.967   7.413  -1.626
  261   1HG2  ILE  37          1HG2      ILE  37  12.238   8.749   1.913
  262   2HG2  ILE  37          2HG2      ILE  37  13.072   9.971   0.964
  263   3HG2  ILE  37          3HG2      ILE  37  11.473  10.298   1.579
  264   1HD1  ILE  37          1HD1      ILE  37  13.562   9.291  -2.042
  265   2HD1  ILE  37          2HD1      ILE  37  14.347   8.951  -0.490
  266   3HD1  ILE  37          3HD1      ILE  37  14.366   7.755  -1.769
  267    HA   PRO  38           HA       PRO  38   6.640   9.659   2.054
  268   1HB   PRO  38          1HB       PRO  38   7.771   9.199   4.821
  269   2HB   PRO  38          2HB       PRO  38   6.129   8.924   4.248
  270   1HG   PRO  38          1HG       PRO  38   7.854   6.841   4.553
  271   2HG   PRO  38          2HG       PRO  38   6.776   6.906   3.167
  272   1HD   PRO  38          1HD       PRO  38   9.722   7.538   3.178
  273   2HD   PRO  38          2HD       PRO  38   8.729   6.734   1.948
  274    H    SER  39           H        SER  39   9.896  10.568   3.068
  275    HA   SER  39           HA       SER  39   9.337  12.910   4.414
  276   1HB   SER  39          1HB       SER  39  11.742  12.619   2.563
  277   2HB   SER  39          2HB       SER  39  11.675  13.243   4.219
  278    HG   SER  39           HG       SER  39  12.500  11.071   4.236
  279    H    LYS  40           H        LYS  40   8.898  12.170   1.083
  280    HA   LYS  40           HA       LYS  40   8.901  15.020   0.252
  281   1HB   LYS  40          1HB       LYS  40   8.800  12.377  -1.315
  282   2HB   LYS  40          2HB       LYS  40   8.802  13.958  -2.050
  283   1HG   LYS  40          1HG       LYS  40  11.043  14.436  -1.075
  284   2HG   LYS  40          2HG       LYS  40  11.065  12.846  -0.315
  285   1HD   LYS  40          1HD       LYS  40  10.956  11.751  -2.547
  286   2HD   LYS  40          2HD       LYS  40  10.848  13.308  -3.323
  287   1HE   LYS  40          1HE       LYS  40  13.153  12.485  -3.491
  288   2HE   LYS  40          2HE       LYS  40  13.123  13.929  -2.492
  289   1HZ   LYS  40          1HZ       LYS  40  13.201  11.151  -1.491
  290   2HZ   LYS  40          2HZ       LYS  40  14.509  12.227  -1.580
  291   3HZ   LYS  40          3HZ       LYS  40  13.207  12.558  -0.547
  292    H    PHE  41           H        PHE  41   6.801  12.810   1.584
  293    HA   PHE  41           HA       PHE  41   4.504  13.818  -0.017
  294   1HB   PHE  41          1HB       PHE  41   4.767  11.057   1.217
  295   2HB   PHE  41          2HB       PHE  41   3.356  11.700   0.453
  296    HD1  PHE  41           HD1      PHE  41   6.818  10.606  -0.200
  297    HD2  PHE  41           HD2      PHE  41   3.161  11.929  -1.923
  298    HE1  PHE  41           HE1      PHE  41   7.572   9.800  -2.397
  299    HE2  PHE  41           HE2      PHE  41   3.889  11.087  -4.116
  300    HZ   PHE  41           HZ       PHE  41   6.119  10.061  -4.375
  301    HA   PRO  42           HA       PRO  42   3.300  15.078   4.258
  302   1HB   PRO  42          1HB       PRO  42   2.257  17.516   3.397
  303   2HB   PRO  42          2HB       PRO  42   3.904  17.299   3.963
  304   1HG   PRO  42          1HG       PRO  42   2.954  17.397   1.105
  305   2HG   PRO  42          2HG       PRO  42   4.362  18.191   1.797
  306   1HD   PRO  42          1HD       PRO  42   4.519  15.844   0.380
  307   2HD   PRO  42          2HD       PRO  42   5.635  16.162   1.716
  308    H    ASN  43           H        ASN  43   2.267  14.603   1.054
  309    HA   ASN  43           HA       ASN  43  -0.518  14.604   1.243
  310   1HB   ASN  43          1HB       ASN  43   0.911  14.349  -0.872
  311   2HB   ASN  43          2HB       ASN  43   1.364  12.741  -0.360
  312   1HD2  ASN  43          1HD2      ASN  43  -2.047  13.376  -2.386
  313   2HD2  ASN  43          2HD2      ASN  43  -0.880  14.614  -2.108
  314    H    LYS  44           H        LYS  44  -1.920  12.615   1.428
  315    HA   LYS  44           HA       LYS  44  -1.108  11.232   3.852
  316   1HB   LYS  44          1HB       LYS  44  -3.362  10.824   4.187
  317   2HB   LYS  44          2HB       LYS  44  -3.375  12.368   3.397
  318   1HG   LYS  44          1HG       LYS  44  -3.919   9.666   2.104
  319   2HG   LYS  44          2HG       LYS  44  -5.140  10.785   2.644
  320   1HD   LYS  44          1HD       LYS  44  -4.568  12.373   0.859
  321   2HD   LYS  44          2HD       LYS  44  -3.173  11.420   0.415
  322   1HE   LYS  44          1HE       LYS  44  -4.911  10.882  -1.193
  323   2HE   LYS  44          2HE       LYS  44  -4.620   9.482  -0.193
  324   1HZ   LYS  44          1HZ       LYS  44  -6.659  10.555   1.138
  325   2HZ   LYS  44          2HZ       LYS  44  -6.971  11.109  -0.459
  326   3HZ   LYS  44          3HZ       LYS  44  -6.830   9.498  -0.142
  327    H    ASN  45           H        ASN  45  -0.488  10.566   0.695
  328    HA   ASN  45           HA       ASN  45  -1.316   7.884   0.531
  329   1HB   ASN  45          1HB       ASN  45   0.034   7.635  -1.420
  330   2HB   ASN  45          2HB       ASN  45  -0.914   9.111  -1.503
  331   1HD2  ASN  45          1HD2      ASN  45   2.625   9.756  -2.692
  332   2HD2  ASN  45          2HD2      ASN  45   1.373   8.713  -3.225
  333    H    LEU  46           H        LEU  46   2.237   8.652   0.492
  334    HA   LEU  46           HA       LEU  46   2.651   6.067   1.774
  335   1HB   LEU  46          1HB       LEU  46   4.537   8.361   1.060
  336   2HB   LEU  46          2HB       LEU  46   5.076   6.861   1.738
  337    HG   LEU  46           HG       LEU  46   5.136   5.812  -0.196
  338   1HD1  LEU  46          1HD1      LEU  46   2.650   5.355  -0.261
  339   2HD1  LEU  46          2HD1      LEU  46   2.440   6.841  -1.188
  340   3HD1  LEU  46          3HD1      LEU  46   3.385   5.520  -1.836
  341   1HD2  LEU  46          1HD2      LEU  46   4.454   8.524  -1.345
  342   2HD2  LEU  46          2HD2      LEU  46   6.064   7.904  -0.939
  343   3HD2  LEU  46          3HD2      LEU  46   5.145   7.216  -2.281
  344    H    LYS  47           H        LYS  47   1.981   5.864   3.738
  345    HA   LYS  47           HA       LYS  47   2.920   7.818   5.696
  346   1HB   LYS  47          1HB       LYS  47   0.330   7.852   4.837
  347   2HB   LYS  47          2HB       LYS  47   0.086   6.678   6.033
  348   1HG   LYS  47          1HG       LYS  47  -0.322   8.967   6.901
  349   2HG   LYS  47          2HG       LYS  47   1.030   8.260   7.741
  350   1HD   LYS  47          1HD       LYS  47   1.447  10.644   7.211
  351   2HD   LYS  47          2HD       LYS  47   2.657   9.641   6.536
  352   1HE   LYS  47          1HE       LYS  47   0.825   9.876   4.389
  353   2HE   LYS  47          2HE       LYS  47   0.697  11.419   5.191
  354   1HZ   LYS  47          1HZ       LYS  47   3.145  11.656   4.872
  355   2HZ   LYS  47          2HZ       LYS  47   3.109  10.190   4.016
  356   3HZ   LYS  47          3HZ       LYS  47   2.249  11.543   3.479
  357    H    LYS  48           H        LYS  48   0.963   4.937   6.523
  358    HA   LYS  48           HA       LYS  48   3.340   4.034   8.061
  359   1HB   LYS  48          1HB       LYS  48   0.471   2.970   8.194
  360   2HB   LYS  48          2HB       LYS  48   1.787   2.496   9.222
  361   1HG   LYS  48          1HG       LYS  48   0.571   5.299   9.086
  362   2HG   LYS  48          2HG       LYS  48   0.265   4.101  10.312
  363   1HD   LYS  48          1HD       LYS  48   2.712   4.127  10.925
  364   2HD   LYS  48          2HD       LYS  48   2.959   5.426   9.778
  365   1HE   LYS  48          1HE       LYS  48   1.325   6.861  11.033
  366   2HE   LYS  48          2HE       LYS  48   1.060   5.558  12.182
  367   1HZ   LYS  48          1HZ       LYS  48   3.627   6.933  11.697
  368   2HZ   LYS  48          2HZ       LYS  48   2.586   7.168  13.015
  369   3HZ   LYS  48          3HZ       LYS  48   3.367   5.678  12.806
  370    H    ASN  49           H        ASN  49   1.259   1.433   7.301
  371    HA   ASN  49           HA       ASN  49   2.860   0.654   4.910
  372   1HB   ASN  49          1HB       ASN  49   2.559  -1.695   5.765
  373   2HB   ASN  49          2HB       ASN  49   3.482  -0.737   6.912
  374   1HD2  ASN  49          1HD2      ASN  49   1.022  -2.788   8.749
  375   2HD2  ASN  49          2HD2      ASN  49   2.226  -3.101   7.550
  376    H    TYR  50           H        TYR  50   0.172   1.997   5.600
  377    HA   TYR  50           HA       TYR  50  -1.850   0.239   4.721
  378   1HB   TYR  50          1HB       TYR  50  -1.721   3.271   4.330
  379   2HB   TYR  50          2HB       TYR  50  -3.176   2.301   4.499
  380    HD1  TYR  50           HD1      TYR  50  -2.294   0.642   6.929
  381    HD2  TYR  50           HD2      TYR  50  -1.929   4.814   6.051
  382    HE1  TYR  50           HE1      TYR  50  -2.367   1.120   9.292
  383    HE2  TYR  50           HE2      TYR  50  -2.035   5.319   8.452
  384    HH   TYR  50           HH       TYR  50  -2.602   2.900  10.910
  385    H    CYS  51           H        CYS  51  -2.598  -0.305   2.720
  386    HA   CYS  51           HA       CYS  51  -0.984   0.158   0.456
  387   1HB   CYS  51          1HB       CYS  51  -3.914  -0.683   0.379
  388   2HB   CYS  51          2HB       CYS  51  -2.674  -1.114  -0.751
  389    H    ARG  52           H        ARG  52  -1.387   1.356  -1.386
  390    HA   ARG  52           HA       ARG  52  -3.304   3.610  -1.462
  391   1HB   ARG  52          1HB       ARG  52  -0.224   3.704  -1.316
  392   2HB   ARG  52          2HB       ARG  52  -0.984   4.854  -2.368
  393   1HG   ARG  52          1HG       ARG  52  -0.419   5.704  -0.145
  394   2HG   ARG  52          2HG       ARG  52  -1.990   6.105  -0.816
  395   1HD   ARG  52          1HD       ARG  52  -3.106   4.487   0.548
  396   2HD   ARG  52          2HD       ARG  52  -1.526   3.871   1.174
  397    HE   ARG  52           HE       ARG  52  -1.535   6.506   1.825
  398   1HH1  ARG  52          1HH1      ARG  52  -3.581   3.695   2.319
  399   2HH1  ARG  52          2HH1      ARG  52  -4.230   4.207   3.851
  400   1HH2  ARG  52          1HH2      ARG  52  -2.525   7.351   3.709
  401   2HH2  ARG  52          2HH2      ARG  52  -3.798   6.469   4.528
  402    H    ASN  53           H        ASN  53  -2.445   4.771  -3.751
  403    HA   ASN  53           HA       ASN  53  -1.732   2.634  -5.583
  404   1HB   ASN  53          1HB       ASN  53  -4.504   3.297  -5.265
  405   2HB   ASN  53          2HB       ASN  53  -4.083   4.174  -6.738
  406   1HD2  ASN  53          1HD2      ASN  53  -5.125   0.825  -7.724
  407   2HD2  ASN  53          2HD2      ASN  53  -5.870   1.937  -6.636
  408    HA   PRO  54           HA       PRO  54   0.121   6.876  -5.945
  409   1HB   PRO  54          1HB       PRO  54   2.561   5.220  -6.484
  410   2HB   PRO  54          2HB       PRO  54   2.483   6.637  -5.478
  411   1HG   PRO  54          1HG       PRO  54   2.630   4.214  -4.277
  412   2HG   PRO  54          2HG       PRO  54   1.505   5.415  -3.658
  413   1HD   PRO  54          1HD       PRO  54   0.864   3.071  -5.451
  414   2HD   PRO  54          2HD       PRO  54   0.014   3.645  -4.027
  415    H    ASP  55           H        ASP  55   0.862   4.016  -7.979
  416    HA   ASP  55           HA       ASP  55   1.262   5.689 -10.346
  417   1HB   ASP  55          1HB       ASP  55   2.059   3.623 -11.375
  418   2HB   ASP  55          2HB       ASP  55   2.842   3.823  -9.821
  419    H    ARG  56           H        ARG  56  -1.194   4.378  -8.634
  420    HA   ARG  56           HA       ARG  56  -3.087   3.599  -8.762
  421   1HB   ARG  56          1HB       ARG  56  -4.774   4.804  -9.608
  422   2HB   ARG  56          2HB       ARG  56  -3.522   5.855  -9.150
  423   1HG   ARG  56          1HG       ARG  56  -3.038   5.305 -11.956
  424   2HG   ARG  56          2HG       ARG  56  -4.741   5.615 -11.765
  425   1HD   ARG  56          1HD       ARG  56  -3.628   7.791 -12.135
  426   2HD   ARG  56          2HD       ARG  56  -4.187   7.722 -10.473
  427    HE   ARG  56           HE       ARG  56  -2.115   7.624  -9.662
  428   1HH1  ARG  56          1HH1      ARG  56  -2.066   7.190 -13.130
  429   2HH1  ARG  56          2HH1      ARG  56  -0.389   7.504 -13.375
  430   1HH2  ARG  56          1HH2      ARG  56   0.214   7.922  -9.897
  431   2HH2  ARG  56          2HH2      ARG  56   0.924   8.084 -11.458
  432    H    GLU  57           H        GLU  57  -2.086   1.780  -9.147
  433    HA   GLU  57           HA       GLU  57  -2.364   0.146 -11.481
  434   1HB   GLU  57          1HB       GLU  57  -0.710  -0.260  -9.651
  435   2HB   GLU  57          2HB       GLU  57  -1.962  -0.243  -8.458
  436   1HG   GLU  57          1HG       GLU  57  -1.198  -2.465  -8.680
  437   2HG   GLU  57          2HG       GLU  57  -2.850  -2.426  -9.220
  438    H    LEU  58           H        LEU  58  -3.861  -1.842 -11.259
  439    HA   LEU  58           HA       LEU  58  -6.525  -0.949 -11.247
  440   1HB   LEU  58          1HB       LEU  58  -5.587  -3.000 -12.336
  441   2HB   LEU  58          2HB       LEU  58  -5.556  -3.841 -10.824
  442    HG   LEU  58           HG       LEU  58  -8.098  -2.650 -12.027
  443   1HD1  LEU  58          1HD1      LEU  58  -7.124  -4.236 -13.647
  444   2HD1  LEU  58          2HD1      LEU  58  -7.037  -5.483 -12.405
  445   3HD1  LEU  58          3HD1      LEU  58  -8.603  -4.887 -12.955
  446   1HD2  LEU  58          1HD2      LEU  58  -7.694  -4.791  -9.875
  447   2HD2  LEU  58          2HD2      LEU  58  -8.465  -3.217  -9.663
  448   3HD2  LEU  58          3HD2      LEU  58  -9.242  -4.440 -10.634
  449    H    ARG  59           H        ARG  59  -4.999  -3.077  -8.891
  450    HA   ARG  59           HA       ARG  59  -7.014  -2.398  -6.846
  451   1HB   ARG  59          1HB       ARG  59  -6.490  -4.749  -7.710
  452   2HB   ARG  59          2HB       ARG  59  -4.934  -4.664  -6.962
  453   1HG   ARG  59          1HG       ARG  59  -5.935  -4.672  -4.743
  454   2HG   ARG  59          2HG       ARG  59  -7.549  -4.471  -5.414
  455   1HD   ARG  59          1HD       ARG  59  -7.354  -6.646  -6.619
  456   2HD   ARG  59          2HD       ARG  59  -5.764  -6.927  -5.882
  457    HE   ARG  59           HE       ARG  59  -7.285  -6.425  -3.759
  458   1HH1  ARG  59          1HH1      ARG  59  -7.294  -8.664  -6.448
  459   2HH1  ARG  59          2HH1      ARG  59  -8.226  -9.914  -5.717
  460   1HH2  ARG  59          1HH2      ARG  59  -8.761  -8.154  -2.697
  461   2HH2  ARG  59          2HH2      ARG  59  -8.947  -9.633  -3.494
  462    HA   PRO  61           HA       PRO  61  -3.886   0.115  -4.826
  463   1HB   PRO  61          1HB       PRO  61  -4.748   0.105  -2.173
  464   2HB   PRO  61          2HB       PRO  61  -5.592   0.950  -3.464
  465   1HG   PRO  61          1HG       PRO  61  -6.233  -1.753  -2.307
  466   2HG   PRO  61          2HG       PRO  61  -7.352  -0.439  -2.675
  467   1HD   PRO  61          1HD       PRO  61  -6.913  -2.633  -4.328
  468   2HD   PRO  61          2HD       PRO  61  -7.387  -1.074  -4.992
  469    H    TRP  62           H        TRP  62  -1.869  -0.206  -3.921
  470    HA   TRP  62           HA       TRP  62  -1.334  -2.872  -2.680
  471   1HB   TRP  62          1HB       TRP  62   0.691  -3.070  -4.182
  472   2HB   TRP  62          2HB       TRP  62  -0.768  -2.923  -5.133
  473    HD1  TRP  62           HD1      TRP  62  -1.212  -0.541  -6.418
  474    HE1  TRP  62           HE1      TRP  62   0.405   1.313  -7.102
  475    HE3  TRP  62           HE3      TRP  62   2.786  -1.851  -3.556
  476    HZ2  TRP  62           HZ2      TRP  62   3.013   2.188  -6.378
  477    HZ3  TRP  62           HZ3      TRP  62   4.828  -0.465  -3.544
  478    HH2  TRP  62           HH2      TRP  62   4.951   1.558  -4.959
  479    H    CYS  63           H        CYS  63   1.001  -2.975  -1.957
  480    HA   CYS  63           HA       CYS  63   2.418  -0.598  -1.265
  481   1HB   CYS  63          1HB       CYS  63   2.417  -1.268   1.315
  482   2HB   CYS  63          2HB       CYS  63   1.129  -0.293   0.704
  483    H    PHE  64           H        PHE  64   4.415  -1.243   0.049
  484    HA   PHE  64           HA       PHE  64   5.526  -3.507  -1.375
  485   1HB   PHE  64          1HB       PHE  64   6.732  -1.732   0.831
  486   2HB   PHE  64          2HB       PHE  64   7.633  -2.936  -0.063
  487    HD1  PHE  64           HD1      PHE  64   7.168  -2.730  -2.782
  488    HD2  PHE  64           HD2      PHE  64   7.144   0.463   0.070
  489    HE1  PHE  64           HE1      PHE  64   7.677  -1.119  -4.570
  490    HE2  PHE  64           HE2      PHE  64   7.693   2.055  -1.730
  491    HZ   PHE  64           HZ       PHE  64   7.979   1.264  -4.042
  492    H    THR  65           H        THR  65   6.291  -5.454  -0.446
  493    HA   THR  65           HA       THR  65   4.651  -6.172   1.918
  494    HB   THR  65           HB       THR  65   4.623  -8.309   1.238
  495    HG1  THR  65           HG1      THR  65   7.066  -8.095  -0.126
  496   1HG2  THR  65          1HG2      THR  65   3.681  -6.969  -0.655
  497   2HG2  THR  65          2HG2      THR  65   5.209  -7.092  -1.506
  498   3HG2  THR  65          3HG2      THR  65   4.291  -8.546  -1.144
  499    H    THR  66           H        THR  66   5.758  -8.009   3.282
  500    HA   THR  66           HA       THR  66   8.193  -6.798   4.399
  501    HB   THR  66           HB       THR  66   7.494  -8.759   6.135
  502    HG1  THR  66           HG1      THR  66   4.966  -8.175   5.092
  503   1HG2  THR  66          1HG2      THR  66   5.990  -6.094   5.921
  504   2HG2  THR  66          2HG2      THR  66   6.011  -7.148   7.333
  505   3HG2  THR  66          3HG2      THR  66   7.494  -6.392   6.771
  506    H    ASP  67           H        ASP  67   7.420  -9.177   2.090
  507    HA   ASP  67           HA       ASP  67   9.375 -11.115   2.988
  508   1HB   ASP  67          1HB       ASP  67   7.431 -11.894   1.767
  509   2HB   ASP  67          2HB       ASP  67   7.814 -10.861   0.395
  510    HA   PRO  68           HA       PRO  68  12.854  -8.893   1.203
  511   1HB   PRO  68          1HB       PRO  68  14.070 -11.658   1.057
  512   2HB   PRO  68          2HB       PRO  68  14.789 -10.186   1.696
  513   1HG   PRO  68          1HG       PRO  68  13.783 -12.092   3.371
  514   2HG   PRO  68          2HG       PRO  68  13.537 -10.383   3.724
  515   1HD   PRO  68          1HD       PRO  68  11.526 -12.315   2.547
  516   2HD   PRO  68          2HD       PRO  68  11.305 -10.997   3.723
  517    H    ASN  69           H        ASN  69  11.062 -11.116  -0.631
  518    HA   ASN  69           HA       ASN  69  12.677 -10.383  -3.059
  519   1HB   ASN  69          1HB       ASN  69  11.165 -13.005  -2.508
  520   2HB   ASN  69          2HB       ASN  69  11.830 -12.558  -4.064
  521   1HD2  ASN  69          1HD2      ASN  69  15.186 -12.698  -2.071
  522   2HD2  ASN  69          2HD2      ASN  69  14.208 -11.281  -2.172
  523    H    LYS  70           H        LYS  70   9.462 -10.768  -1.613
  524    HA   LYS  70           HA       LYS  70   8.277  -9.951  -4.174
  525   1HB   LYS  70          1HB       LYS  70   7.183 -11.611  -2.556
  526   2HB   LYS  70          2HB       LYS  70   6.917 -10.302  -1.460
  527   1HG   LYS  70          1HG       LYS  70   4.881 -10.386  -2.605
  528   2HG   LYS  70          2HG       LYS  70   5.697  -9.094  -3.439
  529   1HD   LYS  70          1HD       LYS  70   6.521 -11.059  -5.078
  530   2HD   LYS  70          2HD       LYS  70   5.254 -11.971  -4.316
  531   1HE   LYS  70          1HE       LYS  70   5.046  -9.607  -6.189
  532   2HE   LYS  70          2HE       LYS  70   4.130 -11.109  -6.183
  533   1HZ   LYS  70          1HZ       LYS  70   3.111 -10.195  -4.055
  534   2HZ   LYS  70          2HZ       LYS  70   3.814  -8.718  -4.528
  535   3HZ   LYS  70          3HZ       LYS  70   2.672  -9.466  -5.517
  536    H    ARG  71           H        ARG  71   9.033  -7.976  -4.562
  537    HA   ARG  71           HA       ARG  71   9.253  -5.844  -2.736
  538   1HB   ARG  71          1HB       ARG  71  10.359  -5.780  -4.878
  539   2HB   ARG  71          2HB       ARG  71   8.872  -5.851  -5.768
  540   1HG   ARG  71          1HG       ARG  71   8.267  -3.569  -5.052
  541   2HG   ARG  71          2HG       ARG  71   9.642  -3.476  -3.986
  542   1HD   ARG  71          1HD       ARG  71  11.194  -3.281  -5.771
  543   2HD   ARG  71          2HD       ARG  71  10.103  -4.038  -6.951
  544    HE   ARG  71           HE       ARG  71   8.658  -1.907  -6.403
  545   1HH1  ARG  71          1HH1      ARG  71  12.087  -2.175  -7.106
  546   2HH1  ARG  71          2HH1      ARG  71  12.189  -0.664  -7.927
  547   1HH2  ARG  71          1HH2      ARG  71   8.727   0.032  -7.469
  548   2HH2  ARG  71          2HH2      ARG  71  10.193   0.679  -8.090
  549    H    TRP  72           H        TRP  72   6.756  -5.703  -5.308
  550    HA   TRP  72           HA       TRP  72   4.955  -4.419  -3.326
  551   1HB   TRP  72          1HB       TRP  72   3.796  -3.416  -5.220
  552   2HB   TRP  72          2HB       TRP  72   5.476  -3.009  -5.334
  553    HD1  TRP  72           HD1      TRP  72   7.024  -4.520  -7.180
  554    HE1  TRP  72           HE1      TRP  72   6.300  -5.194  -9.521
  555    HE3  TRP  72           HE3      TRP  72   1.994  -4.177  -6.568
  556    HZ2  TRP  72           HZ2      TRP  72   3.846  -5.490 -10.965
  557    HZ3  TRP  72           HZ3      TRP  72   0.479  -4.590  -8.495
  558    HH2  TRP  72           HH2      TRP  72   1.396  -5.180 -10.674
  559    H    GLU  73           H        GLU  73   2.625  -4.832  -3.475
  560    HA   GLU  73           HA       GLU  73   1.749  -7.059  -5.012
  561   1HB   GLU  73          1HB       GLU  73   2.845  -8.220  -2.921
  562   2HB   GLU  73          2HB       GLU  73   1.621  -7.480  -1.970
  563   1HG   GLU  73          1HG       GLU  73  -0.172  -8.676  -3.139
  564   2HG   GLU  73          2HG       GLU  73   0.883  -9.199  -4.416
  565    H    LEU  74           H        LEU  74  -0.406  -7.185  -5.209
  566    HA   LEU  74           HA       LEU  74  -1.870  -4.791  -4.589
  567   1HB   LEU  74          1HB       LEU  74  -2.987  -7.500  -5.503
  568   2HB   LEU  74          2HB       LEU  74  -3.784  -5.964  -5.621
  569    HG   LEU  74           HG       LEU  74  -1.271  -6.759  -7.162
  570   1HD1  LEU  74          1HD1      LEU  74  -3.295  -7.931  -7.955
  571   2HD1  LEU  74          2HD1      LEU  74  -4.134  -6.397  -8.148
  572   3HD1  LEU  74          3HD1      LEU  74  -2.732  -6.766  -9.144
  573   1HD2  LEU  74          1HD2      LEU  74  -2.841  -4.137  -7.232
  574   2HD2  LEU  74          2HD2      LEU  74  -1.147  -4.359  -6.829
  575   3HD2  LEU  74          3HD2      LEU  74  -1.711  -4.645  -8.469
  576    H    CYS  75           H        CYS  75  -3.285  -4.432  -2.995
  577    HA   CYS  75           HA       CYS  75  -3.438  -6.347  -0.790
  578   1HB   CYS  75          1HB       CYS  75  -4.392  -3.452  -1.065
  579   2HB   CYS  75          2HB       CYS  75  -4.456  -4.368   0.418
  580    H    ASP  76           H        ASP  76  -5.396  -6.715   0.328
  581    HA   ASP  76           HA       ASP  76  -7.732  -6.738  -1.563
  582   1HB   ASP  76          1HB       ASP  76  -7.092  -9.010  -0.735
  583   2HB   ASP  76          2HB       ASP  76  -7.356  -8.491   0.923
  584    H    ILE  77           H        ILE  77  -8.948  -5.110  -1.302
  585    HA   ILE  77           HA       ILE  77  -9.253  -3.837   1.357
  586    HB   ILE  77           HB       ILE  77  -9.074  -2.846  -1.484
  587   1HG1  ILE  77          1HG1      ILE  77  -7.707  -1.089  -0.628
  588   2HG1  ILE  77          2HG1      ILE  77  -8.165  -1.335   1.000
  589   1HG2  ILE  77          1HG2      ILE  77 -10.646  -1.287   0.583
  590   2HG2  ILE  77          2HG2      ILE  77 -10.099  -0.674  -0.981
  591   3HG2  ILE  77          3HG2      ILE  77 -11.294  -1.949  -0.915
  592   1HD1  ILE  77          1HD1      ILE  77  -6.575  -3.381  -0.606
  593   2HD1  ILE  77          2HD1      ILE  77  -5.868  -2.189   0.494
  594   3HD1  ILE  77          3HD1      ILE  77  -6.907  -3.450   1.128
  595    HA   PRO  78           HA       PRO  78 -13.446  -5.309   1.012
  596   1HB   PRO  78          1HB       PRO  78 -14.624  -3.910   3.093
  597   2HB   PRO  78          2HB       PRO  78 -13.485  -5.224   3.324
  598   1HG   PRO  78          1HG       PRO  78 -12.936  -2.272   3.470
  599   2HG   PRO  78          2HG       PRO  78 -12.305  -3.525   4.536
  600   1HD   PRO  78          1HD       PRO  78 -10.908  -2.432   2.394
  601   2HD   PRO  78          2HD       PRO  78 -10.574  -4.052   3.035
  602    H    ARG  79           H        ARG  79 -14.975  -4.825  -0.358
  603    HA   ARG  79           HA       ARG  79 -15.187  -2.164  -1.448
  604   1HB   ARG  79          1HB       ARG  79 -15.688  -4.034  -2.894
  605   2HB   ARG  79          2HB       ARG  79 -16.886  -4.677  -1.804
  606   1HG   ARG  79          1HG       ARG  79 -18.458  -2.895  -2.285
  607   2HG   ARG  79          2HG       ARG  79 -17.258  -1.949  -3.124
  608   1HD   ARG  79          1HD       ARG  79 -18.113  -4.716  -4.127
  609   2HD   ARG  79          2HD       ARG  79 -18.916  -3.207  -4.628
  610    HE   ARG  79           HE       ARG  79 -16.243  -2.707  -4.994
  611   1HH1  ARG  79          1HH1      ARG  79 -18.532  -5.093  -6.178
  612   2HH1  ARG  79          2HH1      ARG  79 -17.804  -5.255  -7.731
  613   1HH2  ARG  79          1HH2      ARG  79 -15.314  -2.829  -6.947
  614   2HH2  ARG  79          2HH2      ARG  79 -15.823  -3.920  -8.198
  615    H    CYS  80           H        CYS  80 -16.848  -0.630  -1.144
  616    HA   CYS  80           HA       CYS  80 -18.127  -0.647   1.464
  617   1HB   CYS  80          1HB       CYS  80 -18.766   1.091  -0.977
  618   2HB   CYS  80          2HB       CYS  80 -19.358   1.384   0.639
  619    H    THR  81           H        THR  81 -19.305  -2.576   1.574
  620    HA   THR  81           HA       THR  81 -21.999  -2.373   0.657
  621    HB   THR  81           HB       THR  81 -21.003  -3.239  -1.436
  622    HG1  THR  81           HG1      THR  81 -22.528  -5.089  -0.002
  623   1HG2  THR  81          1HG2      THR  81 -18.965  -4.372  -0.543
  624   2HG2  THR  81          2HG2      THR  81 -19.958  -5.632   0.169
  625   3HG2  THR  81          3HG2      THR  81 -19.895  -5.442  -1.581
  626    H1   AMH  84           H1       AMH  84   5.899  -1.440  -9.322
  627   1H2   AMH  84          1H2       AMH  84   5.806   0.972 -10.156
  628   2H2   AMH  84          2H2       AMH  84   4.522   1.260  -8.949
  629   1H3   AMH  84          1H3       AMH  84   3.684   0.709 -11.301
  630   2H3   AMH  84          2H3       AMH  84   4.466  -0.856 -11.088
  631    H4   AMH  84           H4       AMH  84   2.199   0.266  -9.346
  632   1H5   AMH  84          1H5       AMH  84   2.302  -1.858  -8.156
  633   2H5   AMH  84          2H5       AMH  84   3.487  -2.470  -9.298
  634   1H6   AMH  84          1H6       AMH  84   4.639  -1.902  -7.219
  635   2H6   AMH  84          2H6       AMH  84   4.029  -0.292  -7.256
  636   1H7   AMH  84          1H7       AMH  84   1.047  -1.917 -10.287
  637   2H7   AMH  84          2H7       AMH  84   1.141  -0.473 -11.325
  638   1HN   AMH  84          1HN       AMH  84   3.201  -2.549 -11.409
  639   2HN   AMH  84          2HN       AMH  84   1.827  -2.666 -12.275
  640   3HN   AMH  84          3HN       AMH  84   2.834  -1.413 -12.524
  Start of MODEL   16
    1   1H    THR  -4          1H        THR  -4 -11.185   8.531   1.212
    2   2H    THR  -4          2H        THR  -4 -10.149   9.208   0.114
    3   3H    THR  -4          3H        THR  -4  -9.587   8.066   1.172
    4    HA   THR  -4           HA       THR  -4  -8.816   9.953   2.053
    5    HB   THR  -4           HB       THR  -4  -9.850  11.644   0.795
    6    HG1  THR  -4           HG1      THR  -4 -10.945  11.852   3.369
    7   1HG2  THR  -4          1HG2      THR  -4 -12.618  10.764   1.756
    8   2HG2  THR  -4          2HG2      THR  -4 -12.272  12.205   0.810
    9   3HG2  THR  -4          3HG2      THR  -4 -11.977  10.622   0.122
   10    H    SER  -3           H        SER  -3  -8.806   8.204   3.571
   11    HA   SER  -3           HA       SER  -3  -8.999   7.408   5.647
   12   1HB   SER  -3          1HB       SER  -3  -9.173   9.644   6.600
   13   2HB   SER  -3          2HB       SER  -3 -10.852   9.821   6.159
   14    HG   SER  -3           HG       SER  -3 -11.268   8.026   7.592
   15    H    GLU  -2           H        GLU  -2  -9.971   5.806   4.115
   16    HA   GLU  -2           HA       GLU  -2 -12.496   4.856   5.212
   17   1HB   GLU  -2          1HB       GLU  -2 -13.489   4.800   2.756
   18   2HB   GLU  -2          2HB       GLU  -2 -13.526   6.284   3.659
   19   1HG   GLU  -2          1HG       GLU  -2 -11.401   7.047   2.497
   20   2HG   GLU  -2          2HG       GLU  -2 -11.472   5.657   1.472
   21    H    GLU  -1           H        GLU  -1 -12.957   2.714   4.666
   22    HA   GLU  -1           HA       GLU  -1 -10.479   1.249   4.106
   23   1HB   GLU  -1          1HB       GLU  -1 -11.642  -0.681   5.154
   24   2HB   GLU  -1          2HB       GLU  -1 -11.531   0.720   6.177
   25   1HG   GLU  -1          1HG       GLU  -1 -13.953   1.300   5.636
   26   2HG   GLU  -1          2HG       GLU  -1 -14.066  -0.186   4.707
   27    H    CYS   1           H        CYS   1 -13.893   0.976   3.058
   28    HA   CYS   1           HA       CYS   1 -13.004  -0.815   0.892
   29   1HB   CYS   1          1HB       CYS   1 -15.377  -1.293   0.538
   30   2HB   CYS   1          2HB       CYS   1 -15.071  -1.368   2.243
   31    H    MET   2           H        MET   2 -13.479  -0.394  -1.312
   32    HA   MET   2           HA       MET   2 -14.092   2.465  -1.949
   33   1HB   MET   2          1HB       MET   2 -11.847   0.851  -3.301
   34   2HB   MET   2          2HB       MET   2 -12.327   2.470  -3.737
   35   1HG   MET   2          1HG       MET   2 -10.870   1.602  -1.249
   36   2HG   MET   2          2HG       MET   2 -10.370   2.723  -2.503
   37   1HE   MET   2          1HE       MET   2 -11.305   2.185   0.696
   38   2HE   MET   2          2HE       MET   2 -10.446   3.715   0.960
   39   3HE   MET   2          3HE       MET   2 -12.167   3.552   1.325
   40    H    HIS   3           H        HIS   3 -14.209   2.662  -4.395
   41    HA   HIS   3           HA       HIS   3 -16.421   1.131  -5.298
   42   1HB   HIS   3          1HB       HIS   3 -14.476   2.830  -6.978
   43   2HB   HIS   3          2HB       HIS   3 -16.095   2.367  -7.460
   44    HD1  HIS   3           HD1      HIS   3 -17.546   3.041  -4.701
   45    HD2  HIS   3           HD2      HIS   3 -14.789   5.499  -6.701
   46    HE1  HIS   3           HE1      HIS   3 -17.948   5.422  -3.917
   47    H    GLY   4           H        GLY   4 -12.963   0.755  -5.628
   48   1HA   GLY   4          1HA       GLY   4 -12.907  -1.919  -6.075
   49   2HA   GLY   4          2HA       GLY   4 -13.219  -1.312  -7.719
   50    H    SER   5           H        SER   5 -11.647   0.957  -7.934
   51    HA   SER   5           HA       SER   5  -9.187  -0.374  -8.475
   52   1HB   SER   5          1HB       SER   5  -8.764   2.023  -9.481
   53   2HB   SER   5          2HB       SER   5 -10.112   1.078 -10.131
   54    HG   SER   5           HG       SER   5 -10.776   3.251  -9.472
   55    H    GLY   6           H        GLY   6 -10.276   1.529  -5.876
   56   1HA   GLY   6          1HA       GLY   6  -9.106   2.108  -3.963
   57   2HA   GLY   6          2HA       GLY   6  -7.702   1.267  -4.603
   58    H    GLU   7           H        GLU   7  -9.028   3.771  -6.569
   59    HA   GLU   7           HA       GLU   7  -6.628   5.250  -6.613
   60   1HB   GLU   7          1HB       GLU   7  -8.387   5.287  -8.388
   61   2HB   GLU   7          2HB       GLU   7  -9.495   6.090  -7.313
   62   1HG   GLU   7          1HG       GLU   7  -8.608   7.720  -8.875
   63   2HG   GLU   7          2HG       GLU   7  -7.996   8.120  -7.287
   64    H    ASN   8           H        ASN   8  -9.477   5.537  -4.683
   65    HA   ASN   8           HA       ASN   8  -8.382   7.845  -3.118
   66   1HB   ASN   8          1HB       ASN   8 -10.623   8.150  -4.188
   67   2HB   ASN   8          2HB       ASN   8 -11.201   6.673  -3.444
   68   1HD2  ASN   8          1HD2      ASN   8 -12.683   8.402  -0.880
   69   2HD2  ASN   8          2HD2      ASN   8 -12.823   7.303  -2.132
   70    H    TYR   9           H        TYR   9  -7.661   4.831  -2.958
   71    HA   TYR   9           HA       TYR   9  -8.892   4.059  -0.460
   72   1HB   TYR   9          1HB       TYR   9  -8.382   2.189  -1.911
   73   2HB   TYR   9          2HB       TYR   9  -6.717   2.712  -2.114
   74    HD1  TYR   9           HD1      TYR   9  -9.198   1.835   0.547
   75    HD2  TYR   9           HD2      TYR   9  -5.154   1.705  -0.745
   76    HE1  TYR   9           HE1      TYR   9  -8.587   0.840   2.675
   77    HE2  TYR   9           HE2      TYR   9  -4.496   0.673   1.361
   78    HH   TYR   9           HH       TYR   9  -5.347  -0.319   3.370
   79    H    ASP  10           H        ASP  10  -8.376   4.799   1.403
   80    HA   ASP  10           HA       ASP  10  -5.715   4.438   2.331
   81   1HB   ASP  10          1HB       ASP  10  -5.323   6.700   3.281
   82   2HB   ASP  10          2HB       ASP  10  -5.337   6.709   1.531
   83    H    GLY  11           H        GLY  11  -6.576   2.804   3.550
   84   1HA   GLY  11          1HA       GLY  11  -8.294   3.687   5.787
   85   2HA   GLY  11          2HA       GLY  11  -8.528   2.187   4.873
   86    H    LYS  12           H        LYS  12  -7.585   0.510   5.652
   87    HA   LYS  12           HA       LYS  12  -5.092   0.697   7.288
   88   1HB   LYS  12          1HB       LYS  12  -7.597  -0.767   8.239
   89   2HB   LYS  12          2HB       LYS  12  -6.070  -0.820   9.056
   90   1HG   LYS  12          1HG       LYS  12  -7.772   1.686   8.649
   91   2HG   LYS  12          2HG       LYS  12  -7.709   0.754  10.103
   92   1HD   LYS  12          1HD       LYS  12  -5.339   2.282   8.901
   93   2HD   LYS  12          2HD       LYS  12  -6.336   2.838  10.203
   94   1HE   LYS  12          1HE       LYS  12  -4.476   0.407  10.270
   95   2HE   LYS  12          2HE       LYS  12  -4.228   1.944  11.073
   96   1HZ   LYS  12          1HZ       LYS  12  -6.161   1.528  12.414
   97   2HZ   LYS  12          2HZ       LYS  12  -6.398   0.037  11.641
   98   3HZ   LYS  12          3HZ       LYS  12  -5.003   0.297  12.572
   99    H    ILE  13           H        ILE  13  -6.758  -0.971   4.861
  100    HA   ILE  13           HA       ILE  13  -5.669  -3.589   5.438
  101    HB   ILE  13           HB       ILE  13  -6.571  -2.598   2.695
  102   1HG1  ILE  13          1HG1      ILE  13  -8.741  -4.048   3.609
  103   2HG1  ILE  13          2HG1      ILE  13  -8.286  -3.233   5.071
  104   1HG2  ILE  13          1HG2      ILE  13  -6.395  -5.396   3.884
  105   2HG2  ILE  13          2HG2      ILE  13  -7.092  -5.005   2.321
  106   3HG2  ILE  13          3HG2      ILE  13  -5.389  -4.723   2.596
  107   1HD1  ILE  13          1HD1      ILE  13  -8.809  -1.873   2.359
  108   2HD1  ILE  13          2HD1      ILE  13  -9.986  -1.988   3.655
  109   3HD1  ILE  13          3HD1      ILE  13  -8.526  -1.030   3.880
  110    H    SER  14           H        SER  14  -3.785  -4.381   4.856
  111    HA   SER  14           HA       SER  14  -2.147  -3.139   2.789
  112   1HB   SER  14          1HB       SER  14  -1.632  -1.968   5.112
  113   2HB   SER  14          2HB       SER  14  -0.969  -3.494   5.609
  114    HG   SER  14           HG       SER  14  -0.042  -2.025   3.351
  115    H    LYS  15           H        LYS  15  -3.430  -5.540   2.701
  116    HA   LYS  15           HA       LYS  15  -1.201  -7.504   3.070
  117   1HB   LYS  15          1HB       LYS  15  -4.204  -7.743   3.560
  118   2HB   LYS  15          2HB       LYS  15  -3.333  -9.131   2.991
  119   1HG   LYS  15          1HG       LYS  15  -3.391  -9.331   5.355
  120   2HG   LYS  15          2HG       LYS  15  -1.743  -9.003   4.896
  121   1HD   LYS  15          1HD       LYS  15  -2.001  -6.637   5.563
  122   2HD   LYS  15          2HD       LYS  15  -3.686  -6.890   5.969
  123   1HE   LYS  15          1HE       LYS  15  -3.017  -8.382   7.847
  124   2HE   LYS  15          2HE       LYS  15  -1.362  -8.414   7.247
  125   1HZ   LYS  15          1HZ       LYS  15  -1.242  -6.045   7.600
  126   2HZ   LYS  15          2HZ       LYS  15  -2.694  -6.096   8.515
  127   3HZ   LYS  15          3HZ       LYS  15  -1.260  -6.973   8.917
  128    H    THR  16           H        THR  16  -0.526  -8.471   1.302
  129    HA   THR  16           HA       THR  16  -1.611  -7.621  -1.181
  130    HB   THR  16           HB       THR  16   0.029  -8.703  -2.310
  131    HG1  THR  16           HG1      THR  16   1.091 -10.545  -1.609
  132   1HG2  THR  16          1HG2      THR  16   1.034  -6.971  -0.863
  133   2HG2  THR  16          2HG2      THR  16   1.312  -8.139   0.423
  134   3HG2  THR  16          3HG2      THR  16   2.172  -8.294  -1.087
  135    H    MET  17           H        MET  17  -2.814  -8.617  -2.536
  136    HA   MET  17           HA       MET  17  -5.097  -9.703  -1.737
  137   1HB   MET  17          1HB       MET  17  -5.605 -10.084  -4.126
  138   2HB   MET  17          2HB       MET  17  -4.656  -8.644  -3.905
  139   1HG   MET  17          1HG       MET  17  -2.607  -9.774  -4.712
  140   2HG   MET  17          2HG       MET  17  -3.442 -11.309  -4.734
  141   1HE   MET  17          1HE       MET  17  -4.745  -7.825  -5.863
  142   2HE   MET  17          2HE       MET  17  -5.327  -8.157  -7.486
  143   3HE   MET  17          3HE       MET  17  -6.143  -8.881  -6.077
  144    H    SER  18           H        SER  18  -2.259 -11.616  -2.437
  145    HA   SER  18           HA       SER  18  -3.581 -13.842  -1.112
  146   1HB   SER  18          1HB       SER  18  -2.524 -14.336  -3.957
  147   2HB   SER  18          2HB       SER  18  -3.407 -15.471  -2.964
  148    HG   SER  18           HG       SER  18  -5.111 -13.619  -3.151
  149    H    GLY  19           H        GLY  19  -1.513 -12.347  -0.124
  150   1HA   GLY  19          1HA       GLY  19   0.526 -14.502  -0.143
  151   2HA   GLY  19          2HA       GLY  19   1.033 -13.012  -0.921
  152    H    LEU  20           H        LEU  20   0.945 -11.000   0.567
  153    HA   LEU  20           HA       LEU  20   2.049 -11.911   3.219
  154   1HB   LEU  20          1HB       LEU  20   3.268  -9.964   1.174
  155   2HB   LEU  20          2HB       LEU  20   4.029 -10.402   2.674
  156    HG   LEU  20           HG       LEU  20   3.461 -12.392   0.438
  157   1HD1  LEU  20          1HD1      LEU  20   6.032 -10.869   1.005
  158   2HD1  LEU  20          2HD1      LEU  20   5.865 -12.215  -0.120
  159   3HD1  LEU  20          3HD1      LEU  20   5.004 -10.721  -0.419
  160   1HD2  LEU  20          1HD2      LEU  20   5.248 -12.615   2.906
  161   2HD2  LEU  20          2HD2      LEU  20   3.720 -13.465   2.664
  162   3HD2  LEU  20          3HD2      LEU  20   5.097 -13.822   1.632
  163    H    GLU  21           H        GLU  21   2.678 -10.230   4.647
  164    HA   GLU  21           HA       GLU  21   0.773  -7.998   4.836
  165   1HB   GLU  21          1HB       GLU  21   1.500  -9.161   6.919
  166   2HB   GLU  21          2HB       GLU  21   3.175  -8.970   6.479
  167   1HG   GLU  21          1HG       GLU  21   2.933  -7.355   8.134
  168   2HG   GLU  21          2HG       GLU  21   2.815  -6.381   6.700
  169    H    CYS  22           H        CYS  22   1.302  -5.934   4.095
  170    HA   CYS  22           HA       CYS  22   3.714  -5.783   2.454
  171   1HB   CYS  22          1HB       CYS  22   1.440  -3.934   3.028
  172   2HB   CYS  22          2HB       CYS  22   2.883  -3.287   2.253
  173    H    GLN  23           H        GLN  23   5.184  -4.260   2.492
  174    HA   GLN  23           HA       GLN  23   6.404  -3.631   5.094
  175   1HB   GLN  23          1HB       GLN  23   7.716  -4.891   3.440
  176   2HB   GLN  23          2HB       GLN  23   7.302  -3.800   2.164
  177   1HG   GLN  23          1HG       GLN  23   8.717  -2.313   4.298
  178   2HG   GLN  23          2HG       GLN  23   9.615  -3.742   3.824
  179   1HE2  GLN  23          1HE2      GLN  23   8.840  -0.771   1.106
  180   2HE2  GLN  23          2HE2      GLN  23   7.880  -0.906   2.497
  181    H    ALA  24           H        ALA  24   6.671  -1.556   5.737
  182    HA   ALA  24           HA       ALA  24   4.793   0.298   4.747
  183   1HB   ALA  24          1HB       ALA  24   7.045   0.564   6.773
  184   2HB   ALA  24          2HB       ALA  24   5.886   1.865   6.471
  185   3HB   ALA  24          3HB       ALA  24   5.337   0.307   7.082
  186    H    TRP  25           H        TRP  25   5.094   2.481   4.032
  187    HA   TRP  25           HA       TRP  25   6.688   2.486   1.645
  188   1HB   TRP  25          1HB       TRP  25   5.017   4.719   2.926
  189   2HB   TRP  25          2HB       TRP  25   5.686   4.776   1.302
  190    HD1  TRP  25           HD1      TRP  25   2.736   3.349   3.251
  191    HE1  TRP  25           HE1      TRP  25   1.106   2.259   1.621
  192    HE3  TRP  25           HE3      TRP  25   5.633   3.415  -0.945
  193    HZ2  TRP  25           HZ2      TRP  25   1.065   1.532  -1.113
  194    HZ3  TRP  25           HZ3      TRP  25   4.741   2.526  -3.074
  195    HH2  TRP  25           HH2      TRP  25   2.441   1.590  -3.155
  196    H    ASP  26           H        ASP  26   7.974   2.955   4.638
  197    HA   ASP  26           HA       ASP  26   9.306   5.470   4.154
  198   1HB   ASP  26          1HB       ASP  26  10.362   4.993   6.359
  199   2HB   ASP  26          2HB       ASP  26   8.639   4.736   6.430
  200    H    SER  27           H        SER  27  11.749   3.816   5.460
  201    HA   SER  27           HA       SER  27  12.785   2.444   3.127
  202   1HB   SER  27          1HB       SER  27  13.484   4.814   2.656
  203   2HB   SER  27          2HB       SER  27  14.192   4.972   4.250
  204    HG   SER  27           HG       SER  27  15.717   3.340   3.581
  205    H    GLN  28           H        GLN  28  13.196   0.648   3.987
  206    HA   GLN  28           HA       GLN  28  14.571   0.482   6.583
  207   1HB   GLN  28          1HB       GLN  28  12.738  -1.077   7.384
  208   2HB   GLN  28          2HB       GLN  28  12.333   0.584   7.226
  209   1HG   GLN  28          1HG       GLN  28  11.012  -1.715   5.925
  210   2HG   GLN  28          2HG       GLN  28  10.414  -0.153   6.372
  211   1HE2  GLN  28          1HE2      GLN  28  10.182   1.012   3.141
  212   2HE2  GLN  28          2HE2      GLN  28   9.674   1.122   4.796
  213    H    SER  29           H        SER  29  12.847  -1.897   4.644
  214    HA   SER  29           HA       SER  29  15.012  -3.209   3.477
  215   1HB   SER  29          1HB       SER  29  14.849  -5.304   5.103
  216   2HB   SER  29          2HB       SER  29  15.660  -3.903   5.767
  217    HG   SER  29           HG       SER  29  12.886  -4.203   6.136
  218    HA   PRO  30           HA       PRO  30  14.874  -5.732   2.713
  219   1HB   PRO  30          1HB       PRO  30  13.779  -6.023  -0.063
  220   2HB   PRO  30          2HB       PRO  30  14.471  -7.252   0.989
  221   1HG   PRO  30          1HG       PRO  30  11.781  -7.120   0.591
  222   2HG   PRO  30          2HG       PRO  30  12.407  -7.455   2.204
  223   1HD   PRO  30          1HD       PRO  30  11.483  -4.780   1.111
  224   2HD   PRO  30          2HD       PRO  30  11.029  -5.523   2.649
  225    H    HIS  31           H        HIS  31  13.679  -2.851   1.064
  226    HA   HIS  31           HA       HIS  31  16.381  -2.050   0.633
  227   1HB   HIS  31          1HB       HIS  31  15.188  -3.557  -1.549
  228   2HB   HIS  31          2HB       HIS  31  15.161  -1.902  -2.091
  229    HD1  HIS  31           HD1      HIS  31  17.681  -4.183  -0.366
  230    HD2  HIS  31           HD2      HIS  31  17.485  -1.144  -3.255
  231    HE1  HIS  31           HE1      HIS  31  20.043  -3.871  -1.306
  232    H    ALA  32           H        ALA  32  16.585   0.090  -0.092
  233    HA   ALA  32           HA       ALA  32  14.393   1.771   0.792
  234   1HB   ALA  32          1HB       ALA  32  16.805   2.352   1.227
  235   2HB   ALA  32          2HB       ALA  32  17.093   2.512  -0.505
  236   3HB   ALA  32          3HB       ALA  32  16.012   3.633   0.321
  237    H    HIS  33           H        HIS  33  12.923   0.978  -0.686
  238    HA   HIS  33           HA       HIS  33  13.019   1.397  -3.530
  239   1HB   HIS  33          1HB       HIS  33  10.512   0.809  -3.317
  240   2HB   HIS  33          2HB       HIS  33  11.547  -0.306  -2.450
  241    HD1  HIS  33           HD1      HIS  33   9.685   2.935  -1.599
  242    HD2  HIS  33           HD2      HIS  33  10.985  -0.638   0.198
  243    HE1  HIS  33           HE1      HIS  33   8.850   2.973   0.721
  244    H    GLY  34           H        GLY  34  11.264   2.731  -4.649
  245   1HA   GLY  34          1HA       GLY  34  11.543   5.528  -3.786
  246   2HA   GLY  34          2HA       GLY  34  10.767   4.930  -5.272
  247    H    TYR  36           H        TYR  36   9.178   6.701  -4.513
  248    HA   TYR  36           HA       TYR  36   7.125   7.269  -3.740
  249   1HB   TYR  36          1HB       TYR  36   6.543   4.326  -3.135
  250   2HB   TYR  36          2HB       TYR  36   5.377   5.574  -3.430
  251    HD1  TYR  36           HD1      TYR  36   7.915   3.390  -4.926
  252    HD2  TYR  36           HD2      TYR  36   4.797   6.175  -5.775
  253    HE1  TYR  36           HE1      TYR  36   7.926   2.666  -7.216
  254    HE2  TYR  36           HE2      TYR  36   4.769   5.385  -8.123
  255    HH   TYR  36           HH       TYR  36   6.547   2.591  -9.145
  256    H    ILE  37           H        ILE  37   8.809   7.953  -2.021
  257    HA   ILE  37           HA       ILE  37   8.259   6.667   0.600
  258    HB   ILE  37           HB       ILE  37  10.494   8.572  -0.210
  259   1HG1  ILE  37          1HG1      ILE  37  10.561   5.554   0.237
  260   2HG1  ILE  37          2HG1      ILE  37  10.745   6.356  -1.296
  261   1HG2  ILE  37          1HG2      ILE  37   9.894   8.705   2.247
  262   2HG2  ILE  37          2HG2      ILE  37  10.231   6.984   2.386
  263   3HG2  ILE  37          3HG2      ILE  37  11.513   8.123   1.980
  264   1HD1  ILE  37          1HD1      ILE  37  12.847   7.500  -0.408
  265   2HD1  ILE  37          2HD1      ILE  37  12.703   6.509   1.045
  266   3HD1  ILE  37          3HD1      ILE  37  12.964   5.749  -0.507
  267    HA   PRO  38           HA       PRO  38   5.487  10.050   1.290
  268   1HB   PRO  38          1HB       PRO  38   5.682  10.100   4.179
  269   2HB   PRO  38          2HB       PRO  38   4.492   9.300   3.197
  270   1HG   PRO  38          1HG       PRO  38   6.874   8.143   4.542
  271   2HG   PRO  38          2HG       PRO  38   5.425   7.307   4.020
  272   1HD   PRO  38          1HD       PRO  38   7.912   7.160   2.760
  273   2HD   PRO  38          2HD       PRO  38   6.382   6.802   1.935
  274    H    SER  39           H        SER  39   8.738  10.179   2.691
  275    HA   SER  39           HA       SER  39   8.734  12.788   3.581
  276   1HB   SER  39          1HB       SER  39  11.127  11.447   2.236
  277   2HB   SER  39          2HB       SER  39  11.099  12.470   3.685
  278    HG   SER  39           HG       SER  39  11.196  10.231   4.305
  279    H    LYS  40           H        LYS  40   8.473  11.674   0.350
  280    HA   LYS  40           HA       LYS  40   9.490  14.229  -0.807
  281   1HB   LYS  40          1HB       LYS  40   8.760  11.503  -2.038
  282   2HB   LYS  40          2HB       LYS  40   9.305  12.875  -2.963
  283   1HG   LYS  40          1HG       LYS  40  11.468  12.880  -1.729
  284   2HG   LYS  40          2HG       LYS  40  10.948  11.474  -0.799
  285   1HD   LYS  40          1HD       LYS  40  10.816  10.107  -2.854
  286   2HD   LYS  40          2HD       LYS  40  11.129  11.504  -3.846
  287   1HE   LYS  40          1HE       LYS  40  13.186  10.197  -3.672
  288   2HE   LYS  40          2HE       LYS  40  13.418  11.744  -2.877
  289   1HZ   LYS  40          1HZ       LYS  40  12.818   9.182  -1.537
  290   2HZ   LYS  40          2HZ       LYS  40  14.323   9.958  -1.614
  291   3HZ   LYS  40          3HZ       LYS  40  13.043  10.679  -0.769
  292    H    PHE  41           H        PHE  41   6.655  13.135   0.462
  293    HA   PHE  41           HA       PHE  41   5.055  14.393  -1.715
  294   1HB   PHE  41          1HB       PHE  41   4.335  12.074   0.113
  295   2HB   PHE  41          2HB       PHE  41   3.197  12.899  -0.923
  296    HD1  PHE  41           HD1      PHE  41   3.409  12.836  -3.388
  297    HD2  PHE  41           HD2      PHE  41   6.026  10.616  -0.868
  298    HE1  PHE  41           HE1      PHE  41   4.028  11.402  -5.290
  299    HE2  PHE  41           HE2      PHE  41   6.677   9.214  -2.754
  300    HZ   PHE  41           HZ       PHE  41   5.680   9.594  -4.996
  301    HA   PRO  42           HA       PRO  42   3.523  16.908   1.781
  302   1HB   PRO  42          1HB       PRO  42   2.538  18.962   0.208
  303   2HB   PRO  42          2HB       PRO  42   4.212  18.869   0.728
  304   1HG   PRO  42          1HG       PRO  42   3.087  18.057  -1.949
  305   2HG   PRO  42          2HG       PRO  42   4.548  18.985  -1.635
  306   1HD   PRO  42          1HD       PRO  42   4.552  16.279  -2.179
  307   2HD   PRO  42          2HD       PRO  42   5.786  16.998  -1.138
  308    H    ASN  43           H        ASN  43   2.435  15.109  -0.832
  309    HA   ASN  43           HA       ASN  43  -0.389  15.638  -0.635
  310   1HB   ASN  43          1HB       ASN  43   0.878  14.662  -2.681
  311   2HB   ASN  43          2HB       ASN  43   1.073  13.169  -1.790
  312   1HD2  ASN  43          1HD2      ASN  43  -2.363  14.007  -3.726
  313   2HD2  ASN  43          2HD2      ASN  43  -0.976  15.032  -3.817
  314    H    LYS  44           H        LYS  44  -1.925  13.860   0.097
  315    HA   LYS  44           HA       LYS  44  -0.899  12.703   2.638
  316   1HB   LYS  44          1HB       LYS  44  -3.005  14.293   2.311
  317   2HB   LYS  44          2HB       LYS  44  -3.845  12.873   1.807
  318   1HG   LYS  44          1HG       LYS  44  -2.421  13.360   4.474
  319   2HG   LYS  44          2HG       LYS  44  -4.131  13.476   4.243
  320   1HD   LYS  44          1HD       LYS  44  -2.586  10.846   3.912
  321   2HD   LYS  44          2HD       LYS  44  -3.248  11.404   5.410
  322   1HE   LYS  44          1HE       LYS  44  -4.827   9.848   4.492
  323   2HE   LYS  44          2HE       LYS  44  -5.561  11.437   4.466
  324   1HZ   LYS  44          1HZ       LYS  44  -4.227  10.230   2.132
  325   2HZ   LYS  44          2HZ       LYS  44  -5.866  10.007   2.511
  326   3HZ   LYS  44          3HZ       LYS  44  -5.261  11.559   2.150
  327    H    ASN  45           H        ASN  45   0.123  11.399   0.576
  328    HA   ASN  45           HA       ASN  45  -1.697   9.140  -0.023
  329   1HB   ASN  45          1HB       ASN  45  -0.174   8.451  -1.790
  330   2HB   ASN  45          2HB       ASN  45  -0.798  10.076  -2.018
  331   1HD2  ASN  45          1HD2      ASN  45   2.763  10.147  -2.946
  332   2HD2  ASN  45          2HD2      ASN  45   1.311   9.470  -3.568
  333    H    LEU  46           H        LEU  46   1.805   8.693   0.125
  334    HA   LEU  46           HA       LEU  46   1.461   6.220   1.370
  335   1HB   LEU  46          1HB       LEU  46   3.957   8.001   1.319
  336   2HB   LEU  46          2HB       LEU  46   3.943   6.336   1.774
  337    HG   LEU  46           HG       LEU  46   4.480   5.839  -0.296
  338   1HD1  LEU  46          1HD1      LEU  46   2.050   5.216  -0.514
  339   2HD1  LEU  46          2HD1      LEU  46   1.774   6.767  -1.319
  340   3HD1  LEU  46          3HD1      LEU  46   2.845   5.577  -2.032
  341   1HD2  LEU  46          1HD2      LEU  46   5.289   8.073  -0.706
  342   2HD2  LEU  46          2HD2      LEU  46   4.568   7.428  -2.174
  343   3HD2  LEU  46          3HD2      LEU  46   3.692   8.615  -1.210
  344    H    LYS  47           H        LYS  47   1.559   5.428   3.327
  345    HA   LYS  47           HA       LYS  47   2.023   7.240   5.588
  346   1HB   LYS  47          1HB       LYS  47  -0.490   7.004   4.946
  347   2HB   LYS  47          2HB       LYS  47  -0.419   5.361   5.435
  348   1HG   LYS  47          1HG       LYS  47  -1.082   6.291   7.466
  349   2HG   LYS  47          2HG       LYS  47   0.625   6.540   7.698
  350   1HD   LYS  47          1HD       LYS  47  -1.429   8.560   6.667
  351   2HD   LYS  47          2HD       LYS  47  -0.627   8.590   8.215
  352   1HE   LYS  47          1HE       LYS  47   1.594   8.959   7.007
  353   2HE   LYS  47          2HE       LYS  47   0.705   9.036   5.491
  354   1HZ   LYS  47          1HZ       LYS  47  -0.485  10.930   6.318
  355   2HZ   LYS  47          2HZ       LYS  47   0.410  10.883   7.759
  356   3HZ   LYS  47          3HZ       LYS  47   1.190  11.167   6.278
  357    H    LYS  48           H        LYS  48   0.781   4.384   6.764
  358    HA   LYS  48           HA       LYS  48   3.420   3.469   7.493
  359   1HB   LYS  48          1HB       LYS  48   0.739   2.003   7.880
  360   2HB   LYS  48          2HB       LYS  48   2.235   1.630   8.680
  361   1HG   LYS  48          1HG       LYS  48   0.644   4.229   8.983
  362   2HG   LYS  48          2HG       LYS  48   0.647   2.889  10.093
  363   1HD   LYS  48          1HD       LYS  48   3.132   3.233  10.471
  364   2HD   LYS  48          2HD       LYS  48   3.076   4.610   9.404
  365   1HE   LYS  48          1HE       LYS  48   2.969   5.425  11.694
  366   2HE   LYS  48          2HE       LYS  48   1.426   5.749  10.921
  367   1HZ   LYS  48          1HZ       LYS  48   2.017   3.495  12.736
  368   2HZ   LYS  48          2HZ       LYS  48   1.153   4.901  13.119
  369   3HZ   LYS  48          3HZ       LYS  48   0.525   3.800  11.994
  370    H    ASN  49           H        ASN  49   1.298   0.843   6.531
  371    HA   ASN  49           HA       ASN  49   2.887   0.428   4.044
  372   1HB   ASN  49          1HB       ASN  49   2.635  -2.011   4.521
  373   2HB   ASN  49          2HB       ASN  49   3.500  -1.206   5.818
  374   1HD2  ASN  49          1HD2      ASN  49   1.085  -3.665   7.226
  375   2HD2  ASN  49          2HD2      ASN  49   2.402  -3.669   6.170
  376    H    TYR  50           H        TYR  50  -0.017   1.200   5.270
  377    HA   TYR  50           HA       TYR  50  -1.937  -0.143   3.863
  378   1HB   TYR  50          1HB       TYR  50  -1.940   2.897   4.218
  379   2HB   TYR  50          2HB       TYR  50  -3.362   1.879   4.119
  380    HD1  TYR  50           HD1      TYR  50  -2.708  -0.349   5.959
  381    HD2  TYR  50           HD2      TYR  50  -1.956   3.840   6.358
  382    HE1  TYR  50           HE1      TYR  50  -2.575  -0.626   8.356
  383    HE2  TYR  50           HE2      TYR  50  -1.861   3.573   8.804
  384    HH   TYR  50           HH       TYR  50  -1.502   0.590  10.312
  385    H    CYS  51           H        CYS  51  -2.430  -0.521   1.850
  386    HA   CYS  51           HA       CYS  51  -0.824   0.169  -0.257
  387   1HB   CYS  51          1HB       CYS  51  -3.793  -0.531  -0.542
  388   2HB   CYS  51          2HB       CYS  51  -2.511  -0.974  -1.632
  389    H    ARG  52           H        ARG  52  -1.224   1.312  -2.205
  390    HA   ARG  52           HA       ARG  52  -3.043   3.619  -2.338
  391   1HB   ARG  52          1HB       ARG  52   0.030   3.746  -2.128
  392   2HB   ARG  52          2HB       ARG  52  -0.697   4.824  -3.286
  393   1HG   ARG  52          1HG       ARG  52  -0.263   5.884  -1.113
  394   2HG   ARG  52          2HG       ARG  52  -1.841   6.132  -1.827
  395   1HD   ARG  52          1HD       ARG  52  -2.893   4.574  -0.382
  396   2HD   ARG  52          2HD       ARG  52  -1.278   3.962   0.192
  397    HE   ARG  52           HE       ARG  52  -1.429   6.630   0.851
  398   1HH1  ARG  52          1HH1      ARG  52  -3.147   3.632   1.378
  399   2HH1  ARG  52          2HH1      ARG  52  -3.647   3.988   2.997
  400   1HH2  ARG  52          1HH2      ARG  52  -1.922   7.136   2.914
  401   2HH2  ARG  52          2HH2      ARG  52  -2.976   6.185   3.927
  402    H    ASN  53           H        ASN  53  -2.255   4.703  -4.606
  403    HA   ASN  53           HA       ASN  53  -1.517   2.576  -6.428
  404   1HB   ASN  53          1HB       ASN  53  -4.313   3.131  -6.053
  405   2HB   ASN  53          2HB       ASN  53  -3.956   3.969  -7.559
  406   1HD2  ASN  53          1HD2      ASN  53  -4.928   0.633  -8.531
  407   2HD2  ASN  53          2HD2      ASN  53  -5.709   1.775  -7.547
  408    HA   PRO  54           HA       PRO  54   0.301   6.799  -6.839
  409   1HB   PRO  54          1HB       PRO  54   2.696   5.099  -7.531
  410   2HB   PRO  54          2HB       PRO  54   2.651   6.528  -6.518
  411   1HG   PRO  54          1HG       PRO  54   2.853   4.068  -5.380
  412   2HG   PRO  54          2HG       PRO  54   1.786   5.273  -4.669
  413   1HD   PRO  54          1HD       PRO  54   0.981   2.977  -6.474
  414   2HD   PRO  54          2HD       PRO  54   0.236   3.541  -4.985
  415    H    ASP  55           H        ASP  55   0.976   3.991  -8.945
  416    HA   ASP  55           HA       ASP  55   1.067   5.691 -11.341
  417   1HB   ASP  55          1HB       ASP  55   1.878   3.588 -12.410
  418   2HB   ASP  55          2HB       ASP  55   2.812   3.917 -10.960
  419    H    ARG  56           H        ARG  56  -1.181   4.440  -9.420
  420    HA   ARG  56           HA       ARG  56  -2.978   3.401  -9.416
  421   1HB   ARG  56          1HB       ARG  56  -4.884   4.532 -10.429
  422   2HB   ARG  56          2HB       ARG  56  -3.893   5.400  -9.382
  423   1HG   ARG  56          1HG       ARG  56  -3.229   5.632 -12.339
  424   2HG   ARG  56          2HG       ARG  56  -4.608   6.491 -11.709
  425   1HD   ARG  56          1HD       ARG  56  -1.756   6.827 -10.629
  426   2HD   ARG  56          2HD       ARG  56  -2.649   8.001 -11.614
  427    HE   ARG  56           HE       ARG  56  -4.363   7.556  -9.590
  428   1HH1  ARG  56          1HH1      ARG  56  -0.858   8.208  -9.441
  429   2HH1  ARG  56          2HH1      ARG  56  -1.000   9.274  -8.105
  430   1HH2  ARG  56          1HH2      ARG  56  -4.419   8.484  -7.617
  431   2HH2  ARG  56          2HH2      ARG  56  -3.103   9.377  -6.929
  432    H    GLU  57           H        GLU  57  -2.109   1.625  -9.917
  433    HA   GLU  57           HA       GLU  57  -2.485   0.188 -12.344
  434   1HB   GLU  57          1HB       GLU  57  -0.785  -0.258 -10.509
  435   2HB   GLU  57          2HB       GLU  57  -2.064  -0.618  -9.387
  436   1HG   GLU  57          1HG       GLU  57  -0.855  -2.642 -10.298
  437   2HG   GLU  57          2HG       GLU  57  -2.593  -2.707 -10.472
  438    H    LEU  58           H        LEU  58  -3.903  -1.952 -12.109
  439    HA   LEU  58           HA       LEU  58  -6.578  -1.113 -12.045
  440   1HB   LEU  58          1HB       LEU  58  -5.756  -3.146 -13.221
  441   2HB   LEU  58          2HB       LEU  58  -5.385  -3.918 -11.707
  442    HG   LEU  58           HG       LEU  58  -7.774  -3.973 -11.098
  443   1HD1  LEU  58          1HD1      LEU  58  -8.277  -2.742 -13.850
  444   2HD1  LEU  58          2HD1      LEU  58  -9.521  -3.430 -12.810
  445   3HD1  LEU  58          3HD1      LEU  58  -8.647  -2.001 -12.292
  446   1HD2  LEU  58          1HD2      LEU  58  -6.775  -5.903 -12.280
  447   2HD2  LEU  58          2HD2      LEU  58  -8.469  -5.711 -12.714
  448   3HD2  LEU  58          3HD2      LEU  58  -7.211  -5.195 -13.834
  449    H    ARG  59           H        ARG  59  -4.909  -3.129  -9.675
  450    HA   ARG  59           HA       ARG  59  -6.957  -2.505  -7.622
  451   1HB   ARG  59          1HB       ARG  59  -6.492  -4.887  -8.383
  452   2HB   ARG  59          2HB       ARG  59  -4.845  -4.700  -7.886
  453   1HG   ARG  59          1HG       ARG  59  -5.526  -5.821  -6.131
  454   2HG   ARG  59          2HG       ARG  59  -5.925  -4.298  -5.458
  455   1HD   ARG  59          1HD       ARG  59  -7.914  -6.149  -6.959
  456   2HD   ARG  59          2HD       ARG  59  -7.602  -6.246  -5.233
  457    HE   ARG  59           HE       ARG  59  -8.574  -3.724  -6.482
  458   1HH1  ARG  59          1HH1      ARG  59  -9.298  -6.517  -4.272
  459   2HH1  ARG  59          2HH1      ARG  59 -10.383  -5.577  -3.341
  460   1HH2  ARG  59          1HH2      ARG  59 -10.287  -2.702  -5.301
  461   2HH2  ARG  59          2HH2      ARG  59 -10.910  -3.494  -3.865
  462    HA   PRO  61           HA       PRO  61  -3.782   0.042  -5.606
  463   1HB   PRO  61          1HB       PRO  61  -4.550  -0.148  -2.922
  464   2HB   PRO  61          2HB       PRO  61  -5.399   0.818  -4.116
  465   1HG   PRO  61          1HG       PRO  61  -6.059  -1.987  -3.213
  466   2HG   PRO  61          2HG       PRO  61  -7.172  -0.635  -3.335
  467   1HD   PRO  61          1HD       PRO  61  -6.990  -2.540  -5.270
  468   2HD   PRO  61          2HD       PRO  61  -7.236  -0.874  -5.769
  469    H    TRP  62           H        TRP  62  -1.746  -0.263  -4.692
  470    HA   TRP  62           HA       TRP  62  -1.158  -2.986  -3.633
  471   1HB   TRP  62          1HB       TRP  62   0.871  -3.085  -5.112
  472   2HB   TRP  62          2HB       TRP  62  -0.593  -2.940  -6.051
  473    HD1  TRP  62           HD1      TRP  62  -1.001  -0.689  -7.460
  474    HE1  TRP  62           HE1      TRP  62   0.608   1.182  -8.152
  475    HE3  TRP  62           HE3      TRP  62   2.835  -1.688  -4.273
  476    HZ2  TRP  62           HZ2      TRP  62   3.162   2.135  -7.369
  477    HZ3  TRP  62           HZ3      TRP  62   4.805  -0.234  -4.200
  478    HH2  TRP  62           HH2      TRP  62   5.000   1.680  -5.785
  479    H    CYS  63           H        CYS  63   1.088  -3.175  -2.864
  480    HA   CYS  63           HA       CYS  63   2.440  -0.845  -1.863
  481   1HB   CYS  63          1HB       CYS  63   2.427  -1.774   0.582
  482   2HB   CYS  63          2HB       CYS  63   1.028  -0.918   0.058
  483    H    PHE  64           H        PHE  64   4.445  -1.592  -0.634
  484    HA   PHE  64           HA       PHE  64   5.626  -3.694  -2.284
  485   1HB   PHE  64          1HB       PHE  64   6.800  -1.926  -0.046
  486   2HB   PHE  64          2HB       PHE  64   7.752  -3.040  -1.006
  487    HD1  PHE  64           HD1      PHE  64   7.042  -2.775  -3.695
  488    HD2  PHE  64           HD2      PHE  64   7.191   0.313  -0.742
  489    HE1  PHE  64           HE1      PHE  64   7.335  -1.095  -5.464
  490    HE2  PHE  64           HE2      PHE  64   7.566   1.976  -2.527
  491    HZ   PHE  64           HZ       PHE  64   7.652   1.250  -4.891
  492    H    THR  65           H        THR  65   6.711  -5.564  -1.373
  493    HA   THR  65           HA       THR  65   5.270  -6.431   1.102
  494    HB   THR  65           HB       THR  65   5.090  -8.517   0.362
  495    HG1  THR  65           HG1      THR  65   7.384  -8.354  -1.235
  496   1HG2  THR  65          1HG2      THR  65   4.007  -7.134  -1.413
  497   2HG2  THR  65          2HG2      THR  65   5.439  -7.262  -2.410
  498   3HG2  THR  65          3HG2      THR  65   4.532  -8.711  -1.999
  499    H    THR  66           H        THR  66   6.492  -8.159   2.390
  500    HA   THR  66           HA       THR  66   8.970  -6.930   3.233
  501    HB   THR  66           HB       THR  66   8.677  -8.884   4.957
  502    HG1  THR  66           HG1      THR  66   7.381 -10.220   3.546
  503   1HG2  THR  66          1HG2      THR  66   6.291  -6.996   4.575
  504   2HG2  THR  66          2HG2      THR  66   6.693  -7.873   6.042
  505   3HG2  THR  66          3HG2      THR  66   7.773  -6.615   5.447
  506    H    ASP  67           H        ASP  67   8.083  -9.314   0.895
  507    HA   ASP  67           HA       ASP  67  10.247 -11.120   1.457
  508   1HB   ASP  67          1HB       ASP  67   8.169 -11.894   0.393
  509   2HB   ASP  67          2HB       ASP  67   8.468 -10.869  -0.999
  510    HA   PRO  68           HA       PRO  68  13.385  -8.599  -0.595
  511   1HB   PRO  68          1HB       PRO  68  14.780 -11.269  -0.870
  512   2HB   PRO  68          2HB       PRO  68  15.442  -9.750  -0.280
  513   1HG   PRO  68          1HG       PRO  68  14.732 -11.734   1.455
  514   2HG   PRO  68          2HG       PRO  68  14.392 -10.050   1.848
  515   1HD   PRO  68          1HD       PRO  68  12.433 -12.120   0.826
  516   2HD   PRO  68          2HD       PRO  68  12.221 -10.834   2.038
  517    H    ASN  69           H        ASN  69  11.578 -10.956  -2.239
  518    HA   ASN  69           HA       ASN  69  12.875 -10.142  -4.822
  519   1HB   ASN  69          1HB       ASN  69  11.562 -12.837  -4.133
  520   2HB   ASN  69          2HB       ASN  69  12.042 -12.350  -5.743
  521   1HD2  ASN  69          1HD2      ASN  69  15.584 -12.322  -4.094
  522   2HD2  ASN  69          2HD2      ASN  69  14.530 -10.957  -4.090
  523    H    LYS  70           H        LYS  70   9.832 -10.847  -3.089
  524    HA   LYS  70           HA       LYS  70   8.375  -9.891  -5.450
  525   1HB   LYS  70          1HB       LYS  70   7.492 -11.711  -3.819
  526   2HB   LYS  70          2HB       LYS  70   7.204 -10.455  -2.680
  527   1HG   LYS  70          1HG       LYS  70   5.129 -10.685  -3.815
  528   2HG   LYS  70          2HG       LYS  70   5.817  -9.244  -4.500
  529   1HD   LYS  70          1HD       LYS  70   6.805 -11.406  -6.128
  530   2HD   LYS  70          2HD       LYS  70   5.168 -11.832  -5.768
  531   1HE   LYS  70          1HE       LYS  70   6.141  -9.286  -7.173
  532   2HE   LYS  70          2HE       LYS  70   5.180 -10.599  -7.847
  533   1HZ   LYS  70          1HZ       LYS  70   3.508  -9.955  -6.079
  534   2HZ   LYS  70          2HZ       LYS  70   4.389  -8.499  -5.973
  535   3HZ   LYS  70          3HZ       LYS  70   3.689  -8.933  -7.432
  536    H    ARG  71           H        ARG  71   9.403  -7.931  -5.574
  537    HA   ARG  71           HA       ARG  71   9.508  -6.001  -3.543
  538   1HB   ARG  71          1HB       ARG  71  10.795  -6.004  -5.650
  539   2HB   ARG  71          2HB       ARG  71   9.426  -5.491  -6.570
  540   1HG   ARG  71          1HG       ARG  71  10.347  -3.828  -4.171
  541   2HG   ARG  71          2HG       ARG  71  11.310  -3.786  -5.614
  542   1HD   ARG  71          1HD       ARG  71   8.360  -3.065  -5.554
  543   2HD   ARG  71          2HD       ARG  71   9.724  -1.926  -5.493
  544    HE   ARG  71           HE       ARG  71   9.504  -3.815  -7.761
  545   1HH1  ARG  71          1HH1      ARG  71   9.139  -0.499  -6.540
  546   2HH1  ARG  71          2HH1      ARG  71   8.532   0.079  -8.061
  547   1HH2  ARG  71          1HH2      ARG  71   9.248  -2.809  -9.873
  548   2HH2  ARG  71          2HH2      ARG  71   8.778  -1.138  -9.899
  549    H    TRP  72           H        TRP  72   7.265  -5.486  -6.336
  550    HA   TRP  72           HA       TRP  72   5.399  -4.210  -4.414
  551   1HB   TRP  72          1HB       TRP  72   4.330  -3.137  -6.268
  552   2HB   TRP  72          2HB       TRP  72   6.012  -2.837  -6.490
  553    HD1  TRP  72           HD1      TRP  72   7.323  -4.358  -8.471
  554    HE1  TRP  72           HE1      TRP  72   6.365  -5.097 -10.714
  555    HE3  TRP  72           HE3      TRP  72   2.384  -4.025  -7.357
  556    HZ2  TRP  72           HZ2      TRP  72   3.790  -5.461 -11.877
  557    HZ3  TRP  72           HZ3      TRP  72   0.686  -4.533  -9.089
  558    HH2  TRP  72           HH2      TRP  72   1.389  -5.182 -11.351
  559    H    GLU  73           H        GLU  73   3.093  -4.741  -4.395
  560    HA   GLU  73           HA       GLU  73   2.222  -6.812  -6.138
  561   1HB   GLU  73          1HB       GLU  73   3.494  -8.091  -4.205
  562   2HB   GLU  73          2HB       GLU  73   2.177  -7.635  -3.187
  563   1HG   GLU  73          1HG       GLU  73   0.575  -8.949  -4.480
  564   2HG   GLU  73          2HG       GLU  73   1.625  -9.019  -5.861
  565    H    LEU  74           H        LEU  74   0.075  -7.127  -6.201
  566    HA   LEU  74           HA       LEU  74  -1.460  -4.832  -5.445
  567   1HB   LEU  74          1HB       LEU  74  -2.518  -7.546  -6.400
  568   2HB   LEU  74          2HB       LEU  74  -3.379  -6.032  -6.433
  569    HG   LEU  74           HG       LEU  74  -0.911  -6.648  -8.098
  570   1HD1  LEU  74          1HD1      LEU  74  -2.892  -7.947  -8.808
  571   2HD1  LEU  74          2HD1      LEU  74  -3.848  -6.475  -8.911
  572   3HD1  LEU  74          3HD1      LEU  74  -2.490  -6.719 -10.004
  573   1HD2  LEU  74          1HD2      LEU  74  -2.694  -4.157  -8.062
  574   2HD2  LEU  74          2HD2      LEU  74  -0.983  -4.238  -7.685
  575   3HD2  LEU  74          3HD2      LEU  74  -1.535  -4.536  -9.322
  576    H    CYS  75           H        CYS  75  -2.860  -4.537  -3.885
  577    HA   CYS  75           HA       CYS  75  -3.067  -6.408  -1.631
  578   1HB   CYS  75          1HB       CYS  75  -4.119  -3.553  -2.045
  579   2HB   CYS  75          2HB       CYS  75  -4.161  -4.426  -0.536
  580    H    ASP  76           H        ASP  76  -5.268  -6.587  -0.703
  581    HA   ASP  76           HA       ASP  76  -7.317  -6.206  -2.873
  582   1HB   ASP  76          1HB       ASP  76  -7.003  -8.702  -2.363
  583   2HB   ASP  76          2HB       ASP  76  -7.753  -8.410  -0.808
  584    H    ILE  77           H        ILE  77  -8.315  -4.516  -2.491
  585    HA   ILE  77           HA       ILE  77  -8.977  -3.724   0.283
  586    HB   ILE  77           HB       ILE  77  -8.613  -2.254  -2.325
  587   1HG1  ILE  77          1HG1      ILE  77  -7.219  -0.765  -1.110
  588   2HG1  ILE  77          2HG1      ILE  77  -7.864  -1.227   0.425
  589   1HG2  ILE  77          1HG2      ILE  77 -10.862  -1.416  -1.636
  590   2HG2  ILE  77          2HG2      ILE  77 -10.218  -1.015  -0.046
  591   3HG2  ILE  77          3HG2      ILE  77  -9.625  -0.183  -1.467
  592   1HD1  ILE  77          1HD1      ILE  77  -6.147  -3.075  -1.254
  593   2HD1  ILE  77          2HD1      ILE  77  -5.569  -2.065   0.079
  594   3HD1  ILE  77          3HD1      ILE  77  -6.706  -3.361   0.399
  595    HA   PRO  78           HA       PRO  78 -12.901  -5.445  -0.515
  596   1HB   PRO  78          1HB       PRO  78 -14.418  -4.243   1.516
  597   2HB   PRO  78          2HB       PRO  78 -13.256  -5.537   1.749
  598   1HG   PRO  78          1HG       PRO  78 -12.849  -2.604   2.249
  599   2HG   PRO  78          2HG       PRO  78 -12.248  -3.955   3.201
  600   1HD   PRO  78          1HD       PRO  78 -10.707  -2.565   1.374
  601   2HD   PRO  78          2HD       PRO  78 -10.403  -4.262   1.784
  602    H    ARG  79           H        ARG  79 -14.561  -5.162  -1.785
  603    HA   ARG  79           HA       ARG  79 -15.032  -2.600  -3.049
  604   1HB   ARG  79          1HB       ARG  79 -15.354  -4.909  -4.136
  605   2HB   ARG  79          2HB       ARG  79 -16.671  -5.203  -3.046
  606   1HG   ARG  79          1HG       ARG  79 -17.861  -4.502  -4.910
  607   2HG   ARG  79          2HG       ARG  79 -17.734  -2.993  -4.069
  608   1HD   ARG  79          1HD       ARG  79 -17.146  -2.525  -6.350
  609   2HD   ARG  79          2HD       ARG  79 -15.577  -2.560  -5.505
  610    HE   ARG  79           HE       ARG  79 -16.037  -5.147  -6.287
  611   1HH1  ARG  79          1HH1      ARG  79 -15.711  -1.993  -7.823
  612   2HH1  ARG  79          2HH1      ARG  79 -15.277  -2.582  -9.381
  613   1HH2  ARG  79          1HH2      ARG  79 -15.322  -5.981  -8.356
  614   2HH2  ARG  79          2HH2      ARG  79 -14.962  -4.923  -9.658
  615    H    CYS  80           H        CYS  80 -16.521  -1.039  -2.354
  616    HA   CYS  80           HA       CYS  80 -17.893  -1.478   0.169
  617   1HB   CYS  80          1HB       CYS  80 -18.352   0.715  -1.915
  618   2HB   CYS  80          2HB       CYS  80 -19.059   0.697  -0.318
  619    H    THR  81           H        THR  81 -19.207  -3.266  -0.002
  620    HA   THR  81           HA       THR  81 -21.832  -2.791  -0.978
  621    HB   THR  81           HB       THR  81 -20.837  -3.407  -3.150
  622    HG1  THR  81           HG1      THR  81 -22.464  -5.378  -2.021
  623   1HG2  THR  81          1HG2      THR  81 -18.865  -4.716  -2.417
  624   2HG2  THR  81          2HG2      THR  81 -19.899  -6.024  -1.862
  625   3HG2  THR  81          3HG2      THR  81 -19.821  -5.627  -3.577
  626    H1   AMH  84           H1       AMH  84   6.059  -1.151 -10.601
  627   1H2   AMH  84          1H2       AMH  84   5.648   1.197 -11.495
  628   2H2   AMH  84          2H2       AMH  84   4.518   1.445 -10.137
  629   1H3   AMH  84          1H3       AMH  84   3.445   0.697 -12.369
  630   2H3   AMH  84          2H3       AMH  84   4.353  -0.797 -12.172
  631    H4   AMH  84           H4       AMH  84   2.257   0.279 -10.215
  632   1H5   AMH  84          1H5       AMH  84   2.658  -1.773  -8.944
  633   2H5   AMH  84          2H5       AMH  84   3.731  -2.371 -10.198
  634   1H6   AMH  84          1H6       AMH  84   5.184  -1.698  -8.410
  635   2H6   AMH  84          2H6       AMH  84   4.397  -0.147  -8.270
  636   1H7   AMH  84          1H7       AMH  84   1.021  -1.854 -10.927
  637   2H7   AMH  84          2H7       AMH  84   1.162  -0.632 -12.202
  638   1HN   AMH  84          1HN       AMH  84   3.212  -2.703 -11.963
  639   2HN   AMH  84          2HN       AMH  84   1.777  -3.050 -12.647
  640   3HN   AMH  84          3HN       AMH  84   2.704  -1.867 -13.269
  Start of MODEL   17
    1   1H    THR  -4          1H        THR  -4 -12.188   3.871   8.880
    2   2H    THR  -4          2H        THR  -4 -10.928   3.067   9.595
    3   3H    THR  -4          3H        THR  -4 -12.062   3.825  10.533
    4    HA   THR  -4           HA       THR  -4 -11.244   5.795  10.294
    5    HB   THR  -4           HB       THR  -4  -8.845   4.157   9.280
    6    HG1  THR  -4           HG1      THR  -4  -9.692   4.293  11.959
    7   1HG2  THR  -4          1HG2      THR  -4  -8.941   6.589  11.150
    8   2HG2  THR  -4          2HG2      THR  -4  -7.536   5.541  10.948
    9   3HG2  THR  -4          3HG2      THR  -4  -8.122   6.475   9.600
   10    H    SER  -3           H        SER  -3  -9.206   6.635   8.188
   11    HA   SER  -3           HA       SER  -3 -10.753   7.787   6.412
   12   1HB   SER  -3          1HB       SER  -3  -8.153   6.900   5.263
   13   2HB   SER  -3          2HB       SER  -3  -8.704   8.510   5.639
   14    HG   SER  -3           HG       SER  -3  -6.955   7.298   7.092
   15    H    GLU  -2           H        GLU  -2 -12.028   7.217   4.868
   16    HA   GLU  -2           HA       GLU  -2 -13.200   5.960   3.360
   17   1HB   GLU  -2          1HB       GLU  -2 -10.418   5.585   2.138
   18   2HB   GLU  -2          2HB       GLU  -2 -11.918   5.730   1.289
   19   1HG   GLU  -2          1HG       GLU  -2 -10.784   7.783   0.977
   20   2HG   GLU  -2          2HG       GLU  -2 -12.058   8.162   2.118
   21    H    GLU  -1           H        GLU  -1 -12.999   4.178   5.354
   22    HA   GLU  -1           HA       GLU  -1 -11.364   1.952   4.644
   23   1HB   GLU  -1          1HB       GLU  -1 -12.483   2.826   6.929
   24   2HB   GLU  -1          2HB       GLU  -1 -13.582   1.529   6.644
   25   1HG   GLU  -1          1HG       GLU  -1 -12.002  -0.073   7.233
   26   2HG   GLU  -1          2HG       GLU  -1 -10.750   0.646   6.250
   27    H    CYS   1           H        CYS   1 -13.266   2.500   2.451
   28    HA   CYS   1           HA       CYS   1 -13.643  -0.163   1.820
   29   1HB   CYS   1          1HB       CYS   1 -15.962  -0.483   1.663
   30   2HB   CYS   1          2HB       CYS   1 -15.771   0.193   3.238
   31    H    MET   2           H        MET   2 -13.751  -0.348  -0.394
   32    HA   MET   2           HA       MET   2 -13.924   2.197  -1.983
   33   1HB   MET   2          1HB       MET   2 -11.672   0.100  -1.844
   34   2HB   MET   2          2HB       MET   2 -11.918   0.987  -3.324
   35   1HG   MET   2          1HG       MET   2 -10.157   1.918  -1.959
   36   2HG   MET   2          2HG       MET   2 -11.382   3.083  -2.441
   37   1HE   MET   2          1HE       MET   2  -9.730   1.057   0.375
   38   2HE   MET   2          2HE       MET   2 -10.723   1.400   1.801
   39   3HE   MET   2          3HE       MET   2 -11.378   0.426   0.486
   40    H    HIS   3           H        HIS   3 -13.827   1.721  -4.280
   41    HA   HIS   3           HA       HIS   3 -15.685  -0.454  -4.989
   42   1HB   HIS   3          1HB       HIS   3 -14.270   1.627  -6.773
   43   2HB   HIS   3          2HB       HIS   3 -15.519   0.519  -7.307
   44    HD1  HIS   3           HD1      HIS   3 -17.312   0.951  -4.595
   45    HD2  HIS   3           HD2      HIS   3 -15.781   3.893  -7.174
   46    HE1  HIS   3           HE1      HIS   3 -18.749   3.022  -4.315
   47    H    GLY   4           H        GLY   4 -12.414   0.647  -5.738
   48   1HA   GLY   4          1HA       GLY   4 -11.019  -1.688  -5.313
   49   2HA   GLY   4          2HA       GLY   4 -11.613  -1.854  -6.990
   50    H    SER   5           H        SER   5 -10.435   0.961  -5.102
   51    HA   SER   5           HA       SER   5  -8.181   1.297  -6.993
   52   1HB   SER   5          1HB       SER   5  -8.805   3.776  -7.082
   53   2HB   SER   5          2HB       SER   5  -9.911   2.678  -7.918
   54    HG   SER   5           HG       SER   5 -11.106   4.124  -6.534
   55    H    GLY   6           H        GLY   6  -9.666   3.152  -4.447
   56   1HA   GLY   6          1HA       GLY   6  -8.873   3.688  -2.264
   57   2HA   GLY   6          2HA       GLY   6  -7.607   2.460  -2.463
   58    H    GLU   7           H        GLU   7  -8.285   5.111  -4.634
   59    HA   GLU   7           HA       GLU   7  -5.663   6.070  -4.793
   60   1HB   GLU   7          1HB       GLU   7  -7.405   6.529  -6.482
   61   2HB   GLU   7          2HB       GLU   7  -8.367   7.403  -5.325
   62   1HG   GLU   7          1HG       GLU   7  -7.385   9.014  -6.771
   63   2HG   GLU   7          2HG       GLU   7  -6.582   9.204  -5.232
   64    H    ASN   8           H        ASN   8  -8.363   7.193  -2.823
   65    HA   ASN   8           HA       ASN   8  -6.609   9.095  -1.366
   66   1HB   ASN   8          1HB       ASN   8  -8.929   9.787  -2.010
   67   2HB   ASN   8          2HB       ASN   8  -9.602   8.474  -1.058
   68   1HD2  ASN   8          1HD2      ASN   8 -10.053  10.792   1.496
   69   2HD2  ASN   8          2HD2      ASN   8 -10.825   9.942   0.224
   70    H    TYR   9           H        TYR   9  -8.026   5.959  -0.937
   71    HA   TYR   9           HA       TYR   9  -8.392   5.662   1.714
   72   1HB   TYR   9          1HB       TYR   9  -9.035   3.889   0.229
   73   2HB   TYR   9          2HB       TYR   9  -7.410   3.741  -0.413
   74    HD1  TYR   9           HD1      TYR   9  -9.173   3.438   2.881
   75    HD2  TYR   9           HD2      TYR   9  -6.158   1.932   0.252
   76    HE1  TYR   9           HE1      TYR   9  -8.597   1.722   4.525
   77    HE2  TYR   9           HE2      TYR   9  -5.541   0.268   1.876
   78    HH   TYR   9           HH       TYR   9  -5.727  -0.307   4.212
   79    H    ASP  10           H        ASP  10  -7.216   6.239   3.317
   80    HA   ASP  10           HA       ASP  10  -4.905   4.474   3.818
   81   1HB   ASP  10          1HB       ASP  10  -3.776   6.519   5.143
   82   2HB   ASP  10          2HB       ASP  10  -3.343   6.052   3.540
   83    H    GLY  11           H        GLY  11  -6.761   3.482   4.691
   84   1HA   GLY  11          1HA       GLY  11  -7.847   4.634   7.156
   85   2HA   GLY  11          2HA       GLY  11  -8.437   3.241   6.266
   86    H    LYS  12           H        LYS  12  -7.672   1.234   6.716
   87    HA   LYS  12           HA       LYS  12  -5.669   0.966   8.938
   88   1HB   LYS  12          1HB       LYS  12  -8.593   0.093   9.031
   89   2HB   LYS  12          2HB       LYS  12  -7.444  -0.693  10.061
   90   1HG   LYS  12          1HG       LYS  12  -8.044   2.263  10.117
   91   2HG   LYS  12          2HG       LYS  12  -8.606   1.076  11.248
   92   1HD   LYS  12          1HD       LYS  12  -5.734   2.049  10.868
   93   2HD   LYS  12          2HD       LYS  12  -6.766   2.236  12.243
   94   1HE   LYS  12          1HE       LYS  12  -5.379   0.524  12.979
   95   2HE   LYS  12          2HE       LYS  12  -6.739  -0.416  12.400
   96   1HZ   LYS  12          1HZ       LYS  12  -4.212   0.154  11.002
   97   2HZ   LYS  12          2HZ       LYS  12  -4.629  -1.313  11.718
   98   3HZ   LYS  12          3HZ       LYS  12  -5.432  -0.814  10.318
   99    H    ILE  13           H        ILE  13  -6.852  -0.567   6.095
  100    HA   ILE  13           HA       ILE  13  -5.911  -3.191   7.033
  101    HB   ILE  13           HB       ILE  13  -6.938  -2.569   4.236
  102   1HG1  ILE  13          1HG1      ILE  13  -9.139  -3.673   5.417
  103   2HG1  ILE  13          2HG1      ILE  13  -8.584  -2.719   6.749
  104   1HG2  ILE  13          1HG2      ILE  13  -6.867  -5.122   5.895
  105   2HG2  ILE  13          2HG2      ILE  13  -7.621  -4.964   4.318
  106   3HG2  ILE  13          3HG2      ILE  13  -5.890  -4.755   4.470
  107   1HD1  ILE  13          1HD1      ILE  13  -9.050  -1.628   3.905
  108   2HD1  ILE  13          2HD1      ILE  13 -10.261  -1.581   5.170
  109   3HD1  ILE  13          3HD1      ILE  13  -8.779  -0.655   5.339
  110    H    SER  14           H        SER  14  -4.052  -4.166   6.340
  111    HA   SER  14           HA       SER  14  -2.533  -2.966   4.146
  112   1HB   SER  14          1HB       SER  14  -1.884  -1.859   6.482
  113   2HB   SER  14          2HB       SER  14  -1.205  -3.400   6.871
  114    HG   SER  14           HG       SER  14  -0.392  -1.874   4.605
  115    H    LYS  15           H        LYS  15  -3.885  -5.517   4.472
  116    HA   LYS  15           HA       LYS  15  -1.523  -7.357   4.641
  117   1HB   LYS  15          1HB       LYS  15  -3.858  -7.470   6.056
  118   2HB   LYS  15          2HB       LYS  15  -4.333  -8.462   4.729
  119   1HG   LYS  15          1HG       LYS  15  -1.634  -9.243   5.696
  120   2HG   LYS  15          2HG       LYS  15  -2.700  -9.066   7.034
  121   1HD   LYS  15          1HD       LYS  15  -2.786 -11.372   6.344
  122   2HD   LYS  15          2HD       LYS  15  -4.334 -10.650   5.997
  123   1HE   LYS  15          1HE       LYS  15  -3.627 -12.052   4.080
  124   2HE   LYS  15          2HE       LYS  15  -3.669 -10.373   3.586
  125   1HZ   LYS  15          1HZ       LYS  15  -1.210 -10.330   4.027
  126   2HZ   LYS  15          2HZ       LYS  15  -1.270 -12.028   4.126
  127   3HZ   LYS  15          3HZ       LYS  15  -1.771 -11.242   2.750
  128    H    THR  16           H        THR  16  -0.764  -8.342   2.898
  129    HA   THR  16           HA       THR  16  -1.917  -7.670   0.403
  130    HB   THR  16           HB       THR  16  -0.137  -8.597  -0.625
  131    HG1  THR  16           HG1      THR  16   1.121 -10.189   0.254
  132   1HG2  THR  16          1HG2      THR  16   0.475  -6.582   0.661
  133   2HG2  THR  16          2HG2      THR  16   0.900  -7.550   2.078
  134   3HG2  THR  16          3HG2      THR  16   1.837  -7.689   0.616
  135    H    MET  17           H        MET  17  -3.048  -8.746  -0.939
  136    HA   MET  17           HA       MET  17  -4.903 -10.573  -0.113
  137   1HB   MET  17          1HB       MET  17  -5.732 -10.547  -2.387
  138   2HB   MET  17          2HB       MET  17  -5.060  -8.986  -2.077
  139   1HG   MET  17          1HG       MET  17  -2.992  -9.665  -3.396
  140   2HG   MET  17          2HG       MET  17  -3.706 -11.240  -3.635
  141   1HE   MET  17          1HE       MET  17  -3.682 -11.434  -6.008
  142   2HE   MET  17          2HE       MET  17  -4.156 -10.188  -7.176
  143   3HE   MET  17          3HE       MET  17  -2.753  -9.945  -6.105
  144    H    SER  18           H        SER  18  -1.821 -11.256  -1.723
  145    HA   SER  18           HA       SER  18  -2.343 -14.162  -1.294
  146   1HB   SER  18          1HB       SER  18  -0.730 -14.263  -3.486
  147   2HB   SER  18          2HB       SER  18  -2.465 -14.159  -3.572
  148    HG   SER  18           HG       SER  18  -0.782 -11.903  -3.720
  149    H    GLY  19           H        GLY  19  -1.289 -12.498   0.641
  150   1HA   GLY  19          1HA       GLY  19   0.951 -14.131   1.195
  151   2HA   GLY  19          2HA       GLY  19   1.585 -12.647   0.527
  152    H    LEU  20           H        LEU  20   2.145 -11.160   2.063
  153    HA   LEU  20           HA       LEU  20   1.873 -11.961   4.816
  154   1HB   LEU  20          1HB       LEU  20   3.568  -9.888   3.313
  155   2HB   LEU  20          2HB       LEU  20   3.958 -10.454   4.898
  156    HG   LEU  20           HG       LEU  20   3.793 -12.589   2.771
  157   1HD1  LEU  20          1HD1      LEU  20   4.932 -10.801   1.533
  158   2HD1  LEU  20          2HD1      LEU  20   6.093 -10.605   2.836
  159   3HD1  LEU  20          3HD1      LEU  20   6.026 -12.111   1.922
  160   1HD2  LEU  20          1HD2      LEU  20   4.339 -13.191   5.089
  161   2HD2  LEU  20          2HD2      LEU  20   5.691 -13.506   4.007
  162   3HD2  LEU  20          3HD2      LEU  20   5.720 -12.099   5.066
  163    H    GLU  21           H        GLU  21   2.575  -9.728   6.090
  164    HA   GLU  21           HA       GLU  21   0.352  -7.810   5.836
  165   1HB   GLU  21          1HB       GLU  21   0.699  -8.772   8.126
  166   2HB   GLU  21          2HB       GLU  21   2.402  -8.408   8.050
  167   1HG   GLU  21          1HG       GLU  21   1.332  -6.762   9.469
  168   2HG   GLU  21          2HG       GLU  21   1.895  -5.947   8.037
  169    H    CYS  22           H        CYS  22   0.959  -5.658   5.327
  170    HA   CYS  22           HA       CYS  22   3.461  -5.572   3.846
  171   1HB   CYS  22          1HB       CYS  22   1.282  -3.586   4.340
  172   2HB   CYS  22          2HB       CYS  22   2.741  -3.091   3.509
  173    H    GLN  23           H        GLN  23   4.890  -4.058   3.897
  174    HA   GLN  23           HA       GLN  23   6.180  -3.430   6.453
  175   1HB   GLN  23          1HB       GLN  23   7.473  -4.631   4.775
  176   2HB   GLN  23          2HB       GLN  23   6.844  -3.666   3.482
  177   1HG   GLN  23          1HG       GLN  23   8.414  -1.954   5.315
  178   2HG   GLN  23          2HG       GLN  23   9.338  -3.338   4.766
  179   1HE2  GLN  23          1HE2      GLN  23   8.297  -0.388   2.187
  180   2HE2  GLN  23          2HE2      GLN  23   7.699  -0.400   3.798
  181    H    ALA  24           H        ALA  24   6.415  -1.387   7.155
  182    HA   ALA  24           HA       ALA  24   4.576   0.549   6.230
  183   1HB   ALA  24          1HB       ALA  24   5.358   0.437   8.574
  184   2HB   ALA  24          2HB       ALA  24   6.986   0.917   8.085
  185   3HB   ALA  24          3HB       ALA  24   5.635   2.050   7.929
  186    H    TRP  25           H        TRP  25   4.795   2.468   5.191
  187    HA   TRP  25           HA       TRP  25   6.326   2.303   2.851
  188   1HB   TRP  25          1HB       TRP  25   4.759   4.659   4.050
  189   2HB   TRP  25          2HB       TRP  25   5.409   4.654   2.414
  190    HD1  TRP  25           HD1      TRP  25   2.459   3.270   4.385
  191    HE1  TRP  25           HE1      TRP  25   0.869   2.137   2.740
  192    HE3  TRP  25           HE3      TRP  25   5.430   3.283   0.246
  193    HZ2  TRP  25           HZ2      TRP  25   0.883   1.372   0.036
  194    HZ3  TRP  25           HZ3      TRP  25   4.574   2.360  -1.895
  195    HH2  TRP  25           HH2      TRP  25   2.289   1.403  -2.000
  196    H    ASP  26           H        ASP  26   7.921   3.363   5.722
  197    HA   ASP  26           HA       ASP  26   9.318   5.407   4.064
  198   1HB   ASP  26          1HB       ASP  26   8.429   6.001   6.433
  199   2HB   ASP  26          2HB       ASP  26   9.827   5.155   7.042
  200    H    SER  27           H        SER  27  11.636   4.792   6.117
  201    HA   SER  27           HA       SER  27  12.689   2.554   4.429
  202   1HB   SER  27          1HB       SER  27  13.716   4.858   4.010
  203   2HB   SER  27          2HB       SER  27  14.285   4.867   5.683
  204    HG   SER  27           HG       SER  27  15.930   4.020   4.272
  205    H    GLN  28           H        GLN  28  12.893   0.869   5.343
  206    HA   GLN  28           HA       GLN  28  13.945   0.611   8.067
  207   1HB   GLN  28          1HB       GLN  28  12.018  -0.927   8.688
  208   2HB   GLN  28          2HB       GLN  28  11.646   0.760   8.585
  209   1HG   GLN  28          1HG       GLN  28  10.644  -1.388   6.638
  210   2HG   GLN  28          2HG       GLN  28   9.798  -0.391   7.746
  211   1HE2  GLN  28          1HE2      GLN  28  10.345   1.101   4.109
  212   2HE2  GLN  28          2HE2      GLN  28  10.777  -0.529   4.447
  213    H    SER  29           H        SER  29  12.421  -1.242   5.502
  214    HA   SER  29           HA       SER  29  14.599  -2.694   4.617
  215   1HB   SER  29          1HB       SER  29  12.657  -4.536   6.126
  216   2HB   SER  29          2HB       SER  29  14.304  -4.883   5.679
  217    HG   SER  29           HG       SER  29  14.770  -3.186   7.386
  218    HA   PRO  30           HA       PRO  30  14.209  -5.313   3.620
  219   1HB   PRO  30          1HB       PRO  30  13.614  -5.320   0.671
  220   2HB   PRO  30          2HB       PRO  30  13.952  -6.678   1.729
  221   1HG   PRO  30          1HG       PRO  30  11.408  -6.165   0.931
  222   2HG   PRO  30          2HG       PRO  30  11.706  -6.630   2.601
  223   1HD   PRO  30          1HD       PRO  30  11.269  -3.822   1.525
  224   2HD   PRO  30          2HD       PRO  30  10.583  -4.579   2.980
  225    H    HIS  31           H        HIS  31  13.645  -2.370   1.793
  226    HA   HIS  31           HA       HIS  31  16.315  -1.540   2.048
  227   1HB   HIS  31          1HB       HIS  31  15.718  -3.076  -0.390
  228   2HB   HIS  31          2HB       HIS  31  15.900  -1.418  -0.893
  229    HD1  HIS  31           HD1      HIS  31  17.791  -3.772   1.441
  230    HD2  HIS  31           HD2      HIS  31  18.458  -0.749  -1.396
  231    HE1  HIS  31           HE1      HIS  31  20.324  -3.522   1.173
  232    H    ALA  32           H        ALA  32  16.539   0.607   0.808
  233    HA   ALA  32           HA       ALA  32  14.198   2.186   1.465
  234   1HB   ALA  32          1HB       ALA  32  16.535   3.031   1.834
  235   2HB   ALA  32          2HB       ALA  32  16.834   3.006   0.098
  236   3HB   ALA  32          3HB       ALA  32  15.644   4.117   0.771
  237    H    HIS  33           H        HIS  33  12.793   1.126   0.099
  238    HA   HIS  33           HA       HIS  33  12.890   1.218  -2.783
  239   1HB   HIS  33          1HB       HIS  33  10.402   0.515  -2.512
  240   2HB   HIS  33          2HB       HIS  33  11.522  -0.466  -1.586
  241    HD1  HIS  33           HD1      HIS  33   9.530   2.756  -0.873
  242    HD2  HIS  33           HD2      HIS  33  10.918  -0.750   1.006
  243    HE1  HIS  33           HE1      HIS  33   8.766   2.836   1.510
  244    H    GLY  34           H        GLY  34  10.879   2.214  -3.950
  245   1HA   GLY  34          1HA       GLY  34  11.080   5.110  -3.593
  246   2HA   GLY  34          2HA       GLY  34  10.145   4.236  -4.830
  247    H    TYR  36           H        TYR  36   8.951   6.345  -3.787
  248    HA   TYR  36           HA       TYR  36   7.116   7.159  -2.792
  249   1HB   TYR  36          1HB       TYR  36   5.898   4.432  -2.290
  250   2HB   TYR  36          2HB       TYR  36   5.119   5.884  -2.842
  251    HD1  TYR  36           HD1      TYR  36   6.000   6.693  -5.319
  252    HD2  TYR  36           HD2      TYR  36   6.256   2.764  -3.711
  253    HE1  TYR  36           HE1      TYR  36   6.217   5.759  -7.596
  254    HE2  TYR  36           HE2      TYR  36   6.487   1.822  -5.931
  255    HH   TYR  36           HH       TYR  36   7.021   2.408  -8.198
  256    H    ILE  37           H        ILE  37   8.482   7.821  -1.071
  257    HA   ILE  37           HA       ILE  37   8.003   6.370   1.468
  258    HB   ILE  37           HB       ILE  37  10.464   7.616   0.238
  259   1HG1  ILE  37          1HG1      ILE  37   9.961   5.041   1.790
  260   2HG1  ILE  37          2HG1      ILE  37  10.085   5.176   0.061
  261   1HG2  ILE  37          1HG2      ILE  37  10.289   8.797   2.401
  262   2HG2  ILE  37          2HG2      ILE  37  10.192   7.250   3.229
  263   3HG2  ILE  37          3HG2      ILE  37  11.659   7.716   2.387
  264   1HD1  ILE  37          1HD1      ILE  37  12.492   5.920   0.314
  265   2HD1  ILE  37          2HD1      ILE  37  12.353   5.665   2.061
  266   3HD1  ILE  37          3HD1      ILE  37  12.184   4.313   0.962
  267    HA   PRO  38           HA       PRO  38   5.639   9.925   2.365
  268   1HB   PRO  38          1HB       PRO  38   5.782   9.869   5.234
  269   2HB   PRO  38          2HB       PRO  38   4.608   9.070   4.240
  270   1HG   PRO  38          1HG       PRO  38   7.035   7.935   5.542
  271   2HG   PRO  38          2HG       PRO  38   5.549   7.100   5.127
  272   1HD   PRO  38          1HD       PRO  38   7.936   6.869   3.714
  273   2HD   PRO  38          2HD       PRO  38   6.352   6.576   2.971
  274    H    SER  39           H        SER  39   8.865   9.701   3.837
  275    HA   SER  39           HA       SER  39   8.872  12.479   4.599
  276   1HB   SER  39          1HB       SER  39  11.394  11.998   4.900
  277   2HB   SER  39          2HB       SER  39  10.270  11.126   5.889
  278    HG   SER  39           HG       SER  39  10.877   9.268   4.831
  279    H    LYS  40           H        LYS  40   8.109  12.090   1.834
  280    HA   LYS  40           HA       LYS  40   9.714  14.189   0.645
  281   1HB   LYS  40          1HB       LYS  40   9.029  11.512  -0.776
  282   2HB   LYS  40          2HB       LYS  40   9.663  12.914  -1.575
  283   1HG   LYS  40          1HG       LYS  40  11.610  11.789  -1.335
  284   2HG   LYS  40          2HG       LYS  40  11.694  12.660   0.175
  285   1HD   LYS  40          1HD       LYS  40  10.395  10.430   1.049
  286   2HD   LYS  40          2HD       LYS  40  11.069   9.757  -0.398
  287   1HE   LYS  40          1HE       LYS  40  12.757   9.286   1.211
  288   2HE   LYS  40          2HE       LYS  40  13.376  10.742   0.452
  289   1HZ   LYS  40          1HZ       LYS  40  12.242  11.981   2.301
  290   2HZ   LYS  40          2HZ       LYS  40  11.956  10.496   3.033
  291   3HZ   LYS  40          3HZ       LYS  40  13.544  10.989   2.775
  292    H    PHE  41           H        PHE  41   6.772  13.152   1.711
  293    HA   PHE  41           HA       PHE  41   5.393  14.531  -0.518
  294   1HB   PHE  41          1HB       PHE  41   4.512  12.145   1.149
  295   2HB   PHE  41          2HB       PHE  41   3.439  13.065   0.124
  296    HD1  PHE  41           HD1      PHE  41   3.780  13.202  -2.329
  297    HD2  PHE  41           HD2      PHE  41   6.135  10.639   0.130
  298    HE1  PHE  41           HE1      PHE  41   4.430  11.898  -4.312
  299    HE2  PHE  41           HE2      PHE  41   6.798   9.344  -1.840
  300    HZ   PHE  41           HZ       PHE  41   5.952   9.969  -4.083
  301    HA   PRO  42           HA       PRO  42   3.799  16.955   3.021
  302   1HB   PRO  42          1HB       PRO  42   2.738  19.003   1.480
  303   2HB   PRO  42          2HB       PRO  42   4.420  18.935   1.974
  304   1HG   PRO  42          1HG       PRO  42   3.268  18.129  -0.691
  305   2HG   PRO  42          2HG       PRO  42   4.723  19.071  -0.392
  306   1HD   PRO  42          1HD       PRO  42   4.751  16.370  -0.962
  307   2HD   PRO  42          2HD       PRO  42   5.992  17.084   0.071
  308    H    ASN  43           H        ASN  43   2.645  15.198   0.405
  309    HA   ASN  43           HA       ASN  43  -0.199  15.610   0.821
  310   1HB   ASN  43          1HB       ASN  43   0.990  14.862  -1.382
  311   2HB   ASN  43          2HB       ASN  43   1.280  13.313  -0.633
  312   1HD2  ASN  43          1HD2      ASN  43  -2.301  14.210  -2.281
  313   2HD2  ASN  43          2HD2      ASN  43  -0.948  15.277  -2.361
  314    H    LYS  44           H        LYS  44  -1.519  13.504   1.420
  315    HA   LYS  44           HA       LYS  44  -0.218  12.433   3.875
  316   1HB   LYS  44          1HB       LYS  44  -2.237  12.282   4.868
  317   2HB   LYS  44          2HB       LYS  44  -2.625  13.576   3.787
  318   1HG   LYS  44          1HG       LYS  44  -3.332  10.611   3.378
  319   2HG   LYS  44          2HG       LYS  44  -4.396  11.802   4.018
  320   1HD   LYS  44          1HD       LYS  44  -4.663  12.919   1.954
  321   2HD   LYS  44          2HD       LYS  44  -3.228  12.226   1.252
  322   1HE   LYS  44          1HE       LYS  44  -5.464  11.267   0.433
  323   2HE   LYS  44          2HE       LYS  44  -4.222  10.116   0.858
  324   1HZ   LYS  44          1HZ       LYS  44  -6.426  10.793   2.707
  325   2HZ   LYS  44          2HZ       LYS  44  -6.461   9.574   1.567
  326   3HZ   LYS  44          3HZ       LYS  44  -5.305   9.493   2.781
  327    H    ASN  45           H        ASN  45  -0.397  11.576   0.748
  328    HA   ASN  45           HA       ASN  45  -1.498   9.159   0.483
  329   1HB   ASN  45          1HB       ASN  45   0.071   8.621  -1.330
  330   2HB   ASN  45          2HB       ASN  45  -0.503  10.279  -1.415
  331   1HD2  ASN  45          1HD2      ASN  45   3.132  10.301  -2.132
  332   2HD2  ASN  45          2HD2      ASN  45   1.770   9.593  -2.899
  333    H    LEU  46           H        LEU  46   2.069   9.069   1.182
  334    HA   LEU  46           HA       LEU  46   1.619   6.302   2.032
  335   1HB   LEU  46          1HB       LEU  46   4.123   8.037   2.230
  336   2HB   LEU  46          2HB       LEU  46   4.028   6.367   2.684
  337    HG   LEU  46           HG       LEU  46   4.784   5.948   0.639
  338   1HD1  LEU  46          1HD1      LEU  46   2.422   5.131   0.356
  339   2HD1  LEU  46          2HD1      LEU  46   2.029   6.641  -0.462
  340   3HD1  LEU  46          3HD1      LEU  46   3.221   5.545  -1.145
  341   1HD2  LEU  46          1HD2      LEU  46   3.810   8.648  -0.333
  342   2HD2  LEU  46          2HD2      LEU  46   5.432   8.228   0.192
  343   3HD2  LEU  46          3HD2      LEU  46   4.778   7.524  -1.279
  344    H    LYS  47           H        LYS  47   1.204   5.527   3.905
  345    HA   LYS  47           HA       LYS  47   1.097   7.378   6.220
  346   1HB   LYS  47          1HB       LYS  47  -1.031   6.489   4.943
  347   2HB   LYS  47          2HB       LYS  47  -0.752   4.967   5.667
  348   1HG   LYS  47          1HG       LYS  47  -2.426   6.267   6.916
  349   2HG   LYS  47          2HG       LYS  47  -1.053   5.976   7.934
  350   1HD   LYS  47          1HD       LYS  47  -2.090   8.310   8.028
  351   2HD   LYS  47          2HD       LYS  47  -0.361   8.235   7.902
  352   1HE   LYS  47          1HE       LYS  47  -1.421  10.005   6.424
  353   2HE   LYS  47          2HE       LYS  47  -0.359   8.909   5.587
  354   1HZ   LYS  47          1HZ       LYS  47  -2.328   7.674   4.852
  355   2HZ   LYS  47          2HZ       LYS  47  -3.338   8.887   5.415
  356   3HZ   LYS  47          3HZ       LYS  47  -2.153   9.211   4.272
  357    H    LYS  48           H        LYS  48   0.215   4.556   7.478
  358    HA   LYS  48           HA       LYS  48   2.886   4.004   8.499
  359   1HB   LYS  48          1HB       LYS  48   0.315   2.370   8.960
  360   2HB   LYS  48          2HB       LYS  48   1.797   2.216   9.847
  361   1HG   LYS  48          1HG       LYS  48  -0.097   4.610   9.787
  362   2HG   LYS  48          2HG       LYS  48   0.153   3.516  11.110
  363   1HD   LYS  48          1HD       LYS  48   2.193   5.522  10.030
  364   2HD   LYS  48          2HD       LYS  48   1.264   5.676  11.492
  365   1HE   LYS  48          1HE       LYS  48   2.399   3.634  12.446
  366   2HE   LYS  48          2HE       LYS  48   3.375   3.510  10.989
  367   1HZ   LYS  48          1HZ       LYS  48   4.292   5.670  11.451
  368   2HZ   LYS  48          2HZ       LYS  48   3.357   5.790  12.860
  369   3HZ   LYS  48          3HZ       LYS  48   4.549   4.591  12.733
  370    H    ASN  49           H        ASN  49   0.855   1.265   7.575
  371    HA   ASN  49           HA       ASN  49   2.632   0.666   5.267
  372   1HB   ASN  49          1HB       ASN  49   2.436  -1.727   5.889
  373   2HB   ASN  49          2HB       ASN  49   3.170  -0.817   7.203
  374   1HD2  ASN  49          1HD2      ASN  49   0.637  -3.280   8.469
  375   2HD2  ASN  49          2HD2      ASN  49   2.054  -3.335   7.532
  376    H    TYR  50           H        TYR  50  -0.348   1.471   6.307
  377    HA   TYR  50           HA       TYR  50  -2.191  -0.033   4.955
  378   1HB   TYR  50          1HB       TYR  50  -2.279   3.032   5.183
  379   2HB   TYR  50          2HB       TYR  50  -3.676   1.999   4.973
  380    HD1  TYR  50           HD1      TYR  50  -3.133  -0.232   6.814
  381    HD2  TYR  50           HD2      TYR  50  -2.564   3.962   7.363
  382    HE1  TYR  50           HE1      TYR  50  -3.165  -0.571   9.201
  383    HE2  TYR  50           HE2      TYR  50  -2.753   3.667   9.780
  384    HH   TYR  50           HH       TYR  50  -2.547   1.900  11.509
  385    H    CYS  51           H        CYS  51  -2.830  -0.486   3.037
  386    HA   CYS  51           HA       CYS  51  -1.133  -0.038   0.911
  387   1HB   CYS  51          1HB       CYS  51  -4.084  -0.806   0.684
  388   2HB   CYS  51          2HB       CYS  51  -2.776  -1.310  -0.358
  389    H    ARG  52           H        ARG  52  -1.016   1.288  -0.787
  390    HA   ARG  52           HA       ARG  52  -3.043   3.424  -1.070
  391   1HB   ARG  52          1HB       ARG  52   0.005   3.841  -1.260
  392   2HB   ARG  52          2HB       ARG  52  -1.198   5.101  -1.409
  393   1HG   ARG  52          1HG       ARG  52  -0.570   3.568   1.106
  394   2HG   ARG  52          2HG       ARG  52  -0.108   5.194   0.741
  395   1HD   ARG  52          1HD       ARG  52  -3.026   4.273   1.096
  396   2HD   ARG  52          2HD       ARG  52  -2.025   5.168   2.217
  397    HE   ARG  52           HE       ARG  52  -2.068   7.031   1.000
  398   1HH1  ARG  52          1HH1      ARG  52  -4.441   4.758  -0.076
  399   2HH1  ARG  52          2HH1      ARG  52  -4.888   5.488  -1.574
  400   1HH2  ARG  52          1HH2      ARG  52  -2.912   8.387  -0.726
  401   2HH2  ARG  52          2HH2      ARG  52  -4.154   7.797  -1.771
  402    H    ASN  53           H        ASN  53  -1.721   4.739  -3.218
  403    HA   ASN  53           HA       ASN  53  -1.205   2.685  -5.169
  404   1HB   ASN  53          1HB       ASN  53  -3.935   3.671  -4.790
  405   2HB   ASN  53          2HB       ASN  53  -3.421   4.352  -6.317
  406   1HD2  ASN  53          1HD2      ASN  53  -4.987   1.088  -6.979
  407   2HD2  ASN  53          2HD2      ASN  53  -5.461   2.358  -5.961
  408    HA   PRO  54           HA       PRO  54   1.090   6.717  -5.384
  409   1HB   PRO  54          1HB       PRO  54   3.317   4.779  -6.050
  410   2HB   PRO  54          2HB       PRO  54   3.365   6.191  -5.012
  411   1HG   PRO  54          1HG       PRO  54   3.277   3.678  -3.949
  412   2HG   PRO  54          2HG       PRO  54   2.414   5.015  -3.200
  413   1HD   PRO  54          1HD       PRO  54   1.243   2.828  -4.909
  414   2HD   PRO  54          2HD       PRO  54   0.596   3.615  -3.472
  415    H    ASP  55           H        ASP  55   1.473   3.873  -7.507
  416    HA   ASP  55           HA       ASP  55   1.804   5.567  -9.889
  417   1HB   ASP  55          1HB       ASP  55   2.352   3.375 -10.954
  418   2HB   ASP  55          2HB       ASP  55   3.299   3.571  -9.498
  419    H    ARG  56           H        ARG  56  -0.605   4.443  -8.026
  420    HA   ARG  56           HA       ARG  56  -2.521   3.650  -8.107
  421   1HB   ARG  56          1HB       ARG  56  -4.255   4.990  -9.144
  422   2HB   ARG  56          2HB       ARG  56  -3.178   5.760  -8.084
  423   1HG   ARG  56          1HG       ARG  56  -2.483   5.910 -11.027
  424   2HG   ARG  56          2HG       ARG  56  -3.760   6.918 -10.402
  425   1HD   ARG  56          1HD       ARG  56  -0.923   6.919  -9.232
  426   2HD   ARG  56          2HD       ARG  56  -1.581   8.146 -10.326
  427    HE   ARG  56           HE       ARG  56  -3.433   8.079  -8.314
  428   1HH1  ARG  56          1HH1      ARG  56   0.118   8.201  -8.067
  429   2HH1  ARG  56          2HH1      ARG  56   0.083   9.458  -6.901
  430   1HH2  ARG  56          1HH2      ARG  56  -3.452   9.434  -6.697
  431   2HH2  ARG  56          2HH2      ARG  56  -2.037  10.066  -5.915
  432    H    GLU  57           H        GLU  57  -1.774   1.836  -8.589
  433    HA   GLU  57           HA       GLU  57  -2.333   0.319 -10.964
  434   1HB   GLU  57          1HB       GLU  57  -0.606  -0.259  -9.219
  435   2HB   GLU  57          2HB       GLU  57  -1.802  -0.210  -7.978
  436   1HG   GLU  57          1HG       GLU  57  -1.168  -2.479  -8.340
  437   2HG   GLU  57          2HG       GLU  57  -2.843  -2.315  -8.749
  438    H    LEU  58           H        LEU  58  -3.982  -1.661 -10.389
  439    HA   LEU  58           HA       LEU  58  -6.538  -0.354 -10.015
  440   1HB   LEU  58          1HB       LEU  58  -6.269  -2.284 -11.510
  441   2HB   LEU  58          2HB       LEU  58  -5.807  -3.322 -10.207
  442    HG   LEU  58           HG       LEU  58  -8.093  -2.992  -9.179
  443   1HD1  LEU  58          1HD1      LEU  58  -8.717  -1.521 -11.783
  444   2HD1  LEU  58          2HD1      LEU  58  -9.908  -2.033 -10.589
  445   3HD1  LEU  58          3HD1      LEU  58  -8.722  -0.815 -10.167
  446   1HD2  LEU  58          1HD2      LEU  58  -7.601  -4.976 -10.573
  447   2HD2  LEU  58          2HD2      LEU  58  -9.273  -4.466 -10.773
  448   3HD2  LEU  58          3HD2      LEU  58  -8.085  -4.096 -12.021
  449    H    ARG  59           H        ARG  59  -5.763  -3.273  -8.173
  450    HA   ARG  59           HA       ARG  59  -7.222  -2.321  -5.929
  451   1HB   ARG  59          1HB       ARG  59  -7.025  -4.668  -6.633
  452   2HB   ARG  59          2HB       ARG  59  -5.306  -4.684  -6.351
  453   1HG   ARG  59          1HG       ARG  59  -5.492  -5.179  -4.181
  454   2HG   ARG  59          2HG       ARG  59  -6.731  -4.066  -3.846
  455   1HD   ARG  59          1HD       ARG  59  -7.588  -6.503  -5.444
  456   2HD   ARG  59          2HD       ARG  59  -7.130  -6.727  -3.763
  457    HE   ARG  59           HE       ARG  59  -9.008  -4.581  -4.538
  458   1HH1  ARG  59          1HH1      ARG  59  -8.534  -7.708  -3.002
  459   2HH1  ARG  59          2HH1      ARG  59  -9.754  -7.560  -1.807
  460   1HH2  ARG  59          1HH2      ARG  59 -10.813  -4.384  -3.035
  461   2HH2  ARG  59          2HH2      ARG  59 -11.025  -5.525  -1.769
  462    HA   PRO  61           HA       PRO  61  -3.979   0.125  -4.024
  463   1HB   PRO  61          1HB       PRO  61  -4.731  -0.009  -1.305
  464   2HB   PRO  61          2HB       PRO  61  -5.485   1.024  -2.506
  465   1HG   PRO  61          1HG       PRO  61  -6.377  -1.706  -1.593
  466   2HG   PRO  61          2HG       PRO  61  -7.365  -0.257  -1.717
  467   1HD   PRO  61          1HD       PRO  61  -7.378  -2.173  -3.642
  468   2HD   PRO  61          2HD       PRO  61  -7.408  -0.504  -4.185
  469    H    TRP  62           H        TRP  62  -1.941  -0.328  -3.359
  470    HA   TRP  62           HA       TRP  62  -1.453  -3.057  -2.234
  471   1HB   TRP  62          1HB       TRP  62   0.440  -3.300  -3.835
  472   2HB   TRP  62          2HB       TRP  62  -1.020  -2.943  -4.720
  473    HD1  TRP  62           HD1      TRP  62  -1.185  -0.548  -5.975
  474    HE1  TRP  62           HE1      TRP  62   0.637   1.153  -6.620
  475    HE3  TRP  62           HE3      TRP  62   2.563  -2.235  -3.014
  476    HZ2  TRP  62           HZ2      TRP  62   3.300   1.748  -5.815
  477    HZ3  TRP  62           HZ3      TRP  62   4.729  -1.065  -2.916
  478    HH2  TRP  62           HH2      TRP  62   5.103   0.915  -4.323
  479    H    CYS  63           H        CYS  63   0.805  -3.305  -1.432
  480    HA   CYS  63           HA       CYS  63   2.248  -0.917  -0.690
  481   1HB   CYS  63          1HB       CYS  63   2.259  -1.627   1.840
  482   2HB   CYS  63          2HB       CYS  63   0.893  -0.746   1.259
  483    H    PHE  64           H        PHE  64   4.242  -1.505   0.525
  484    HA   PHE  64           HA       PHE  64   5.454  -3.684  -0.965
  485   1HB   PHE  64          1HB       PHE  64   6.549  -1.858   1.252
  486   2HB   PHE  64          2HB       PHE  64   7.533  -3.007   0.369
  487    HD1  PHE  64           HD1      PHE  64   7.378  -2.852  -2.267
  488    HD2  PHE  64           HD2      PHE  64   6.522   0.364   0.425
  489    HE1  PHE  64           HE1      PHE  64   7.858  -1.197  -4.054
  490    HE2  PHE  64           HE2      PHE  64   7.050   1.984  -1.359
  491    HZ   PHE  64           HZ       PHE  64   7.777   1.183  -3.576
  492    H    THR  65           H        THR  65   6.473  -5.547   0.027
  493    HA   THR  65           HA       THR  65   5.082  -6.258   2.584
  494    HB   THR  65           HB       THR  65   4.834  -8.378   1.948
  495    HG1  THR  65           HG1      THR  65   7.011  -8.336   0.191
  496   1HG2  THR  65          1HG2      THR  65   3.722  -6.944   0.198
  497   2HG2  THR  65          2HG2      THR  65   5.041  -7.240  -0.891
  498   3HG2  THR  65          3HG2      THR  65   4.062  -8.593  -0.334
  499    H    THR  66           H        THR  66   6.320  -8.008   3.874
  500    HA   THR  66           HA       THR  66   8.767  -6.724   4.675
  501    HB   THR  66           HB       THR  66   8.623  -8.665   6.386
  502    HG1  THR  66           HG1      THR  66   7.487 -10.137   4.992
  503   1HG2  THR  66          1HG2      THR  66   7.452  -6.493   6.850
  504   2HG2  THR  66          2HG2      THR  66   6.021  -7.077   6.009
  505   3HG2  THR  66          3HG2      THR  66   6.553  -7.870   7.478
  506    H    ASP  67           H        ASP  67   7.894  -9.159   2.381
  507    HA   ASP  67           HA       ASP  67  10.318 -10.737   2.646
  508   1HB   ASP  67          1HB       ASP  67   8.274 -11.869   2.047
  509   2HB   ASP  67          2HB       ASP  67   7.966 -10.747   0.734
  510    HA   PRO  68           HA       PRO  68  12.607  -7.940  -0.136
  511   1HB   PRO  68          1HB       PRO  68  14.478 -10.309  -0.208
  512   2HB   PRO  68          2HB       PRO  68  14.863  -8.621   0.090
  513   1HG   PRO  68          1HG       PRO  68  14.782 -10.459   2.123
  514   2HG   PRO  68          2HG       PRO  68  14.210  -8.816   2.380
  515   1HD   PRO  68          1HD       PRO  68  12.537 -11.286   1.916
  516   2HD   PRO  68          2HD       PRO  68  12.250  -9.901   2.990
  517    H    ASN  69           H        ASN  69  11.093 -10.878  -0.957
  518    HA   ASN  69           HA       ASN  69  11.981 -10.619  -3.817
  519   1HB   ASN  69          1HB       ASN  69  10.726 -13.000  -2.327
  520   2HB   ASN  69          2HB       ASN  69  10.996 -12.952  -4.056
  521   1HD2  ASN  69          1HD2      ASN  69  14.711 -12.603  -2.806
  522   2HD2  ASN  69          2HD2      ASN  69  13.640 -11.252  -2.953
  523    H    LYS  70           H        LYS  70   9.106 -11.077  -1.729
  524    HA   LYS  70           HA       LYS  70   7.395 -10.275  -3.969
  525   1HB   LYS  70          1HB       LYS  70   6.765 -11.941  -2.058
  526   2HB   LYS  70          2HB       LYS  70   6.692 -10.598  -1.000
  527   1HG   LYS  70          1HG       LYS  70   4.473 -10.588  -1.564
  528   2HG   LYS  70          2HG       LYS  70   5.014  -9.619  -2.895
  529   1HD   LYS  70          1HD       LYS  70   3.724 -11.224  -4.011
  530   2HD   LYS  70          2HD       LYS  70   5.318 -11.893  -4.180
  531   1HE   LYS  70          1HE       LYS  70   3.982 -13.760  -3.523
  532   2HE   LYS  70          2HE       LYS  70   4.757 -13.306  -2.011
  533   1HZ   LYS  70          1HZ       LYS  70   2.713 -12.023  -1.492
  534   2HZ   LYS  70          2HZ       LYS  70   2.031 -12.495  -2.872
  535   3HZ   LYS  70          3HZ       LYS  70   2.297 -13.659  -1.731
  536    H    ARG  71           H        ARG  71   8.647  -8.341  -4.283
  537    HA   ARG  71           HA       ARG  71   9.088  -6.320  -2.414
  538   1HB   ARG  71          1HB       ARG  71  10.108  -6.334  -4.648
  539   2HB   ARG  71          2HB       ARG  71   8.616  -5.995  -5.434
  540   1HG   ARG  71          1HG       ARG  71   9.212  -3.929  -3.387
  541   2HG   ARG  71          2HG       ARG  71  10.577  -4.159  -4.416
  542   1HD   ARG  71          1HD       ARG  71   7.773  -3.372  -5.393
  543   2HD   ARG  71          2HD       ARG  71   9.206  -2.351  -5.274
  544    HE   ARG  71           HE       ARG  71   9.244  -4.771  -6.946
  545   1HH1  ARG  71          1HH1      ARG  71   8.822  -1.273  -6.966
  546   2HH1  ARG  71          2HH1      ARG  71   9.817  -0.961  -8.311
  547   1HH2  ARG  71          1HH2      ARG  71  10.437  -4.417  -8.930
  548   2HH2  ARG  71          2HH2      ARG  71  10.530  -2.838  -9.600
  549    H    TRP  72           H        TRP  72   6.557  -5.921  -4.919
  550    HA   TRP  72           HA       TRP  72   4.916  -4.429  -2.959
  551   1HB   TRP  72          1HB       TRP  72   3.818  -3.433  -4.902
  552   2HB   TRP  72          2HB       TRP  72   5.515  -3.142  -5.064
  553    HD1  TRP  72           HD1      TRP  72   6.877  -4.899  -6.890
  554    HE1  TRP  72           HE1      TRP  72   6.020  -5.583  -9.185
  555    HE3  TRP  72           HE3      TRP  72   1.919  -4.145  -6.123
  556    HZ2  TRP  72           HZ2      TRP  72   3.515  -5.721 -10.532
  557    HZ3  TRP  72           HZ3      TRP  72   0.313  -4.508  -7.982
  558    HH2  TRP  72           HH2      TRP  72   1.112  -5.218 -10.177
  559    H    GLU  73           H        GLU  73   2.639  -4.958  -2.803
  560    HA   GLU  73           HA       GLU  73   1.692  -7.025  -4.562
  561   1HB   GLU  73          1HB       GLU  73   2.933  -8.307  -2.655
  562   2HB   GLU  73          2HB       GLU  73   1.736  -7.686  -1.566
  563   1HG   GLU  73          1HG       GLU  73  -0.077  -8.815  -2.880
  564   2HG   GLU  73          2HG       GLU  73   1.079  -9.267  -4.108
  565    H    LEU  74           H        LEU  74  -0.425  -7.231  -4.654
  566    HA   LEU  74           HA       LEU  74  -1.951  -4.898  -3.981
  567   1HB   LEU  74          1HB       LEU  74  -2.982  -7.630  -4.942
  568   2HB   LEU  74          2HB       LEU  74  -3.838  -6.126  -5.054
  569    HG   LEU  74           HG       LEU  74  -1.315  -6.814  -6.599
  570   1HD1  LEU  74          1HD1      LEU  74  -3.351  -7.943  -7.432
  571   2HD1  LEU  74          2HD1      LEU  74  -4.185  -6.396  -7.543
  572   3HD1  LEU  74          3HD1      LEU  74  -2.795  -6.727  -8.572
  573   1HD2  LEU  74          1HD2      LEU  74  -2.871  -4.188  -6.478
  574   2HD2  LEU  74          2HD2      LEU  74  -1.147  -4.449  -6.225
  575   3HD2  LEU  74          3HD2      LEU  74  -1.840  -4.618  -7.826
  576    H    CYS  75           H        CYS  75  -3.374  -4.555  -2.345
  577    HA   CYS  75           HA       CYS  75  -3.392  -6.480  -0.133
  578   1HB   CYS  75          1HB       CYS  75  -4.450  -3.634  -0.399
  579   2HB   CYS  75          2HB       CYS  75  -4.420  -4.558   1.087
  580    H    ASP  76           H        ASP  76  -5.277  -7.060   1.018
  581    HA   ASP  76           HA       ASP  76  -7.640  -7.122  -0.787
  582   1HB   ASP  76          1HB       ASP  76  -6.905  -9.356   0.072
  583   2HB   ASP  76          2HB       ASP  76  -7.229  -8.823   1.708
  584    H    ILE  77           H        ILE  77  -8.691  -5.392  -0.548
  585    HA   ILE  77           HA       ILE  77  -9.196  -4.217   2.135
  586    HB   ILE  77           HB       ILE  77  -8.776  -3.131  -0.638
  587   1HG1  ILE  77          1HG1      ILE  77  -7.480  -1.415   0.367
  588   2HG1  ILE  77          2HG1      ILE  77  -8.139  -1.649   1.938
  589   1HG2  ILE  77          1HG2      ILE  77 -11.083  -2.247  -0.187
  590   2HG2  ILE  77          2HG2      ILE  77 -10.463  -1.485   1.277
  591   3HG2  ILE  77          3HG2      ILE  77  -9.848  -1.019  -0.305
  592   1HD1  ILE  77          1HD1      ILE  77  -6.435  -3.724   0.535
  593   2HD1  ILE  77          2HD1      ILE  77  -5.811  -2.542   1.703
  594   3HD1  ILE  77          3HD1      ILE  77  -6.949  -3.777   2.221
  595    HA   PRO  78           HA       PRO  78 -13.425  -5.477   1.599
  596   1HB   PRO  78          1HB       PRO  78 -14.705  -3.684   3.308
  597   2HB   PRO  78          2HB       PRO  78 -13.732  -5.040   3.845
  598   1HG   PRO  78          1HG       PRO  78 -12.883  -2.158   3.602
  599   2HG   PRO  78          2HG       PRO  78 -12.560  -3.250   4.947
  600   1HD   PRO  78          1HD       PRO  78 -10.714  -2.721   2.981
  601   2HD   PRO  78          2HD       PRO  78 -10.780  -4.307   3.754
  602    H    ARG  79           H        ARG  79 -14.732  -5.156  -0.023
  603    HA   ARG  79           HA       ARG  79 -14.767  -2.601  -1.401
  604   1HB   ARG  79          1HB       ARG  79 -15.040  -4.643  -2.725
  605   2HB   ARG  79          2HB       ARG  79 -16.424  -5.145  -1.796
  606   1HG   ARG  79          1HG       ARG  79 -17.822  -3.395  -2.706
  607   2HG   ARG  79          2HG       ARG  79 -16.473  -2.536  -3.381
  608   1HD   ARG  79          1HD       ARG  79 -17.127  -5.366  -4.327
  609   2HD   ARG  79          2HD       ARG  79 -17.916  -3.931  -5.023
  610    HE   ARG  79           HE       ARG  79 -15.268  -3.276  -5.080
  611   1HH1  ARG  79          1HH1      ARG  79 -16.252  -6.160  -7.754
  612   2HH1  ARG  79          2HH1      ARG  79 -17.187  -5.942  -6.323
  613   1HH2  ARG  79          1HH2      ARG  79 -14.088  -3.465  -6.895
  614   2HH2  ARG  79          2HH2      ARG  79 -14.335  -4.702  -8.087
  615    H    CYS  80           H        CYS  80 -16.465  -1.083  -1.415
  616    HA   CYS  80           HA       CYS  80 -18.028  -0.888   0.987
  617   1HB   CYS  80          1HB       CYS  80 -18.556   0.448  -1.722
  618   2HB   CYS  80          2HB       CYS  80 -19.312   0.911  -0.212
  619    H    THR  81           H        THR  81 -19.517  -2.302   1.594
  620    HA   THR  81           HA       THR  81 -21.622  -3.132  -0.243
  621    HB   THR  81           HB       THR  81 -21.148  -5.540   0.740
  622    HG1  THR  81           HG1      THR  81 -18.599  -4.367   1.104
  623   1HG2  THR  81          1HG2      THR  81 -20.803  -5.047  -1.673
  624   2HG2  THR  81          2HG2      THR  81 -19.183  -4.458  -1.347
  625   3HG2  THR  81          3HG2      THR  81 -19.571  -6.145  -1.059
  626    H1   AMH  84           H1       AMH  84   6.151  -1.589  -9.028
  627   1H2   AMH  84          1H2       AMH  84   5.951   0.742  -9.939
  628   2H2   AMH  84          2H2       AMH  84   4.774   1.112  -8.655
  629   1H3   AMH  84          1H3       AMH  84   3.740   0.501 -10.909
  630   2H3   AMH  84          2H3       AMH  84   4.498  -1.079 -10.736
  631    H4   AMH  84           H4       AMH  84   2.456   0.121  -8.795
  632   1H5   AMH  84          1H5       AMH  84   2.574  -2.029  -7.670
  633   2H5   AMH  84          2H5       AMH  84   3.672  -2.645  -8.906
  634   1H6   AMH  84          1H6       AMH  84   5.056  -2.167  -6.995
  635   2H6   AMH  84          2H6       AMH  84   4.359  -0.579  -6.812
  636   1H7   AMH  84          1H7       AMH  84   1.084  -1.962  -9.628
  637   2H7   AMH  84          2H7       AMH  84   1.172  -0.526 -10.668
  638   1HN   AMH  84          1HN       AMH  84   1.527  -2.735 -11.652
  639   2HN   AMH  84          2HN       AMH  84   2.629  -1.588 -12.059
  640   3HN   AMH  84          3HN       AMH  84   3.024  -2.759 -10.984
  Start of MODEL   18
    1   1H    THR  -4          1H        THR  -4 -13.698   3.544  11.845
    2   2H    THR  -4          2H        THR  -4 -14.024   1.922  11.727
    3   3H    THR  -4          3H        THR  -4 -12.782   2.449  12.700
    4    HA   THR  -4           HA       THR  -4 -11.380   2.493  11.052
    5    HB   THR  -4           HB       THR  -4 -12.688   1.270   8.941
    6    HG1  THR  -4           HG1      THR  -4 -14.631   0.345   9.828
    7   1HG2  THR  -4          1HG2      THR  -4 -11.073   0.110  10.579
    8   2HG2  THR  -4          2HG2      THR  -4 -12.430  -0.178  11.657
    9   3HG2  THR  -4          3HG2      THR  -4 -12.385  -0.922  10.058
   10    H    SER  -3           H        SER  -3 -11.284   3.435   8.531
   11    HA   SER  -3           HA       SER  -3 -13.325   5.428   8.023
   12   1HB   SER  -3          1HB       SER  -3 -10.532   6.519   8.691
   13   2HB   SER  -3          2HB       SER  -3 -11.985   7.452   8.430
   14    HG   SER  -3           HG       SER  -3 -12.730   6.191  10.417
   15    H    GLU  -2           H        GLU  -2 -13.442   5.771   5.958
   16    HA   GLU  -2           HA       GLU  -2 -13.106   5.525   3.742
   17   1HB   GLU  -2          1HB       GLU  -2 -10.332   6.551   4.562
   18   2HB   GLU  -2          2HB       GLU  -2 -10.925   6.541   2.929
   19   1HG   GLU  -2          1HG       GLU  -2 -11.213   8.765   3.808
   20   2HG   GLU  -2          2HG       GLU  -2 -12.799   8.076   3.554
   21    H    GLU  -1           H        GLU  -1 -12.802   3.143   5.141
   22    HA   GLU  -1           HA       GLU  -1 -10.461   1.782   3.938
   23   1HB   GLU  -1          1HB       GLU  -1 -12.309   1.199   6.264
   24   2HB   GLU  -1          2HB       GLU  -1 -11.350  -0.093   5.608
   25   1HG   GLU  -1          1HG       GLU  -1  -9.255   1.097   5.999
   26   2HG   GLU  -1          2HG       GLU  -1 -10.093   2.556   6.459
   27    H    CYS   1           H        CYS   1 -13.599   2.261   2.881
   28    HA   CYS   1           HA       CYS   1 -13.425  -0.318   1.422
   29   1HB   CYS   1          1HB       CYS   1 -15.790  -0.530   1.403
   30   2HB   CYS   1          2HB       CYS   1 -15.294  -0.403   3.056
   31    H    MET   2           H        MET   2 -13.239  -0.123  -0.639
   32    HA   MET   2           HA       MET   2 -13.970   2.421  -2.024
   33   1HB   MET   2          1HB       MET   2 -11.394   0.733  -2.112
   34   2HB   MET   2          2HB       MET   2 -11.830   1.731  -3.476
   35   1HG   MET   2          1HG       MET   2 -10.179   2.714  -1.954
   36   2HG   MET   2          2HG       MET   2 -11.487   3.773  -2.391
   37   1HE   MET   2          1HE       MET   2  -9.778   1.530   0.000
   38   2HE   MET   2          2HE       MET   2 -10.335   1.960   1.611
   39   3HE   MET   2          3HE       MET   2 -11.299   0.873   0.607
   40    H    HIS   3           H        HIS   3 -13.989   2.118  -4.326
   41    HA   HIS   3           HA       HIS   3 -15.629  -0.120  -5.075
   42   1HB   HIS   3          1HB       HIS   3 -14.185   1.956  -6.843
   43   2HB   HIS   3          2HB       HIS   3 -15.436   0.862  -7.401
   44    HD1  HIS   3           HD1      HIS   3 -17.721   1.092  -5.585
   45    HD2  HIS   3           HD2      HIS   3 -15.200   4.378  -6.289
   46    HE1  HIS   3           HE1      HIS   3 -19.019   3.188  -4.969
   47    H    GLY   4           H        GLY   4 -12.192   0.692  -5.425
   48   1HA   GLY   4          1HA       GLY   4 -11.434  -2.016  -5.592
   49   2HA   GLY   4          2HA       GLY   4 -11.641  -1.456  -7.268
   50    H    SER   5           H        SER   5 -10.582   1.271  -6.917
   51    HA   SER   5           HA       SER   5  -7.759   0.521  -7.000
   52   1HB   SER   5          1HB       SER   5  -7.758   2.883  -8.116
   53   2HB   SER   5          2HB       SER   5  -8.694   1.612  -8.919
   54    HG   SER   5           HG       SER   5  -9.992   3.543  -8.590
   55    H    GLY   6           H        GLY   6  -9.788   2.981  -5.528
   56   1HA   GLY   6          1HA       GLY   6  -9.488   4.170  -3.511
   57   2HA   GLY   6          2HA       GLY   6  -8.293   2.929  -3.075
   58    H    GLU   7           H        GLU   7  -8.479   5.531  -5.519
   59    HA   GLU   7           HA       GLU   7  -5.687   6.154  -5.093
   60   1HB   GLU   7          1HB       GLU   7  -6.731   6.812  -7.208
   61   2HB   GLU   7          2HB       GLU   7  -7.799   7.923  -6.390
   62   1HG   GLU   7          1HG       GLU   7  -5.923   9.134  -7.428
   63   2HG   GLU   7          2HG       GLU   7  -5.861   9.337  -5.698
   64    H    ASN   8           H        ASN   8  -8.690   7.404  -3.706
   65    HA   ASN   8           HA       ASN   8  -7.086   9.231  -1.985
   66   1HB   ASN   8          1HB       ASN   8  -9.198  10.043  -3.135
   67   2HB   ASN   8          2HB       ASN   8 -10.139   8.958  -2.129
   68   1HD2  ASN   8          1HD2      ASN   8 -10.429  11.566   0.186
   69   2HD2  ASN   8          2HD2      ASN   8 -11.222  10.420  -0.830
   70    H    TYR   9           H        TYR   9  -7.512   6.095  -1.842
   71    HA   TYR   9           HA       TYR   9  -8.670   5.770   0.808
   72   1HB   TYR   9          1HB       TYR   9  -8.963   3.906  -0.666
   73   2HB   TYR   9          2HB       TYR   9  -7.312   3.975  -1.236
   74    HD1  TYR   9           HD1      TYR   9  -8.499   3.871   2.292
   75    HD2  TYR   9           HD2      TYR   9  -6.512   1.839  -0.895
   76    HE1  TYR   9           HE1      TYR   9  -7.853   2.079   3.836
   77    HE2  TYR   9           HE2      TYR   9  -5.862   0.078   0.640
   78    HH   TYR   9           HH       TYR   9  -5.421  -0.181   3.153
   79    H    ASP  10           H        ASP  10  -7.538   6.680   2.434
   80    HA   ASP  10           HA       ASP  10  -4.833   5.525   2.845
   81   1HB   ASP  10          1HB       ASP  10  -4.866   8.163   4.084
   82   2HB   ASP  10          2HB       ASP  10  -3.717   7.456   2.977
   83    H    GLY  11           H        GLY  11  -6.567   4.043   3.761
   84   1HA   GLY  11          1HA       GLY  11  -7.619   4.974   6.348
   85   2HA   GLY  11          2HA       GLY  11  -8.137   3.581   5.421
   86    H    LYS  12           H        LYS  12  -7.378   1.684   5.980
   87    HA   LYS  12           HA       LYS  12  -4.974   1.521   7.773
   88   1HB   LYS  12          1HB       LYS  12  -7.656   0.305   8.526
   89   2HB   LYS  12          2HB       LYS  12  -6.227   0.192   9.481
   90   1HG   LYS  12          1HG       LYS  12  -7.694   2.796   8.838
   91   2HG   LYS  12          2HG       LYS  12  -7.915   1.885  10.280
   92   1HD   LYS  12          1HD       LYS  12  -5.172   3.035   9.524
   93   2HD   LYS  12          2HD       LYS  12  -6.383   3.924  10.389
   94   1HE   LYS  12          1HE       LYS  12  -5.047   3.078  12.122
   95   2HE   LYS  12          2HE       LYS  12  -6.430   1.997  12.127
   96   1HZ   LYS  12          1HZ       LYS  12  -5.052   0.473  10.752
   97   2HZ   LYS  12          2HZ       LYS  12  -3.751   1.528  10.993
   98   3HZ   LYS  12          3HZ       LYS  12  -4.448   0.759  12.314
   99    H    ILE  13           H        ILE  13  -6.643  -0.244   5.215
  100    HA   ILE  13           HA       ILE  13  -5.649  -2.790   6.266
  101    HB   ILE  13           HB       ILE  13  -6.745  -2.327   3.469
  102   1HG1  ILE  13          1HG1      ILE  13  -8.785  -3.592   4.772
  103   2HG1  ILE  13          2HG1      ILE  13  -8.211  -2.602   6.079
  104   1HG2  ILE  13          1HG2      ILE  13  -6.379  -4.864   5.092
  105   2HG2  ILE  13          2HG2      ILE  13  -7.223  -4.753   3.553
  106   3HG2  ILE  13          3HG2      ILE  13  -5.514  -4.404   3.620
  107   1HD1  ILE  13          1HD1      ILE  13  -8.997  -1.589   3.286
  108   2HD1  ILE  13          2HD1      ILE  13 -10.033  -1.548   4.701
  109   3HD1  ILE  13          3HD1      ILE  13  -8.573  -0.559   4.647
  110    H    SER  14           H        SER  14  -3.852  -3.824   5.695
  111    HA   SER  14           HA       SER  14  -2.134  -2.708   3.578
  112   1HB   SER  14          1HB       SER  14  -1.626  -1.780   6.048
  113   2HB   SER  14          2HB       SER  14  -1.001  -3.364   6.346
  114    HG   SER  14           HG       SER  14  -0.051  -1.709   4.237
  115    H    LYS  15           H        LYS  15  -3.716  -5.276   4.013
  116    HA   LYS  15           HA       LYS  15  -1.401  -7.168   4.021
  117   1HB   LYS  15          1HB       LYS  15  -3.340  -7.407   5.663
  118   2HB   LYS  15          2HB       LYS  15  -4.336  -7.952   4.342
  119   1HG   LYS  15          1HG       LYS  15  -1.619  -9.208   4.994
  120   2HG   LYS  15          2HG       LYS  15  -3.035  -9.683   5.874
  121   1HD   LYS  15          1HD       LYS  15  -4.090 -10.685   3.993
  122   2HD   LYS  15          2HD       LYS  15  -3.108  -9.816   2.863
  123   1HE   LYS  15          1HE       LYS  15  -1.069 -11.108   3.686
  124   2HE   LYS  15          2HE       LYS  15  -2.145 -12.132   4.625
  125   1HZ   LYS  15          1HZ       LYS  15  -2.271 -11.698   1.719
  126   2HZ   LYS  15          2HZ       LYS  15  -1.504 -13.020   2.420
  127   3HZ   LYS  15          3HZ       LYS  15  -3.181 -12.841   2.567
  128    H    THR  16           H        THR  16  -0.706  -8.017   2.222
  129    HA   THR  16           HA       THR  16  -1.982  -7.323  -0.209
  130    HB   THR  16           HB       THR  16  -0.167  -8.164  -1.340
  131    HG1  THR  16           HG1      THR  16   0.456 -10.098  -0.447
  132   1HG2  THR  16          1HG2      THR  16   0.241  -6.085  -0.068
  133   2HG2  THR  16          2HG2      THR  16   0.861  -7.011   1.305
  134   3HG2  THR  16          3HG2      THR  16   1.726  -7.009  -0.205
  135    H    MET  17           H        MET  17  -3.205  -8.346  -1.410
  136    HA   MET  17           HA       MET  17  -5.204  -9.756  -0.622
  137   1HB   MET  17          1HB       MET  17  -5.852 -10.069  -2.963
  138   2HB   MET  17          2HB       MET  17  -4.942  -8.608  -2.832
  139   1HG   MET  17          1HG       MET  17  -2.903  -9.834  -3.656
  140   2HG   MET  17          2HG       MET  17  -3.838 -11.290  -3.851
  141   1HE   MET  17          1HE       MET  17  -2.585 -11.095  -6.097
  142   2HE   MET  17          2HE       MET  17  -3.064 -10.061  -7.444
  143   3HE   MET  17          3HE       MET  17  -2.100  -9.401  -6.094
  144    H    SER  18           H        SER  18  -2.300 -11.399  -1.773
  145    HA   SER  18           HA       SER  18  -3.528 -13.912  -0.668
  146   1HB   SER  18          1HB       SER  18  -1.544 -13.885  -3.011
  147   2HB   SER  18          2HB       SER  18  -2.423 -15.250  -2.380
  148    HG   SER  18           HG       SER  18  -4.366 -14.008  -3.046
  149    H    GLY  19           H        GLY  19  -0.375 -12.424  -1.454
  150   1HA   GLY  19          1HA       GLY  19   1.186 -13.939   0.166
  151   2HA   GLY  19          2HA       GLY  19   1.562 -12.338  -0.409
  152    H    LEU  20           H        LEU  20   1.930 -10.782   1.238
  153    HA   LEU  20           HA       LEU  20   1.482 -11.819   3.986
  154   1HB   LEU  20          1HB       LEU  20   3.801 -10.077   2.994
  155   2HB   LEU  20          2HB       LEU  20   3.724 -10.986   4.456
  156    HG   LEU  20           HG       LEU  20   3.418 -13.018   2.601
  157   1HD1  LEU  20          1HD1      LEU  20   3.767 -11.459   0.635
  158   2HD1  LEU  20          2HD1      LEU  20   5.333 -11.013   1.294
  159   3HD1  LEU  20          3HD1      LEU  20   5.042 -12.657   0.758
  160   1HD2  LEU  20          1HD2      LEU  20   5.044 -12.981   4.497
  161   2HD2  LEU  20          2HD2      LEU  20   5.745 -13.602   3.007
  162   3HD2  LEU  20          3HD2      LEU  20   6.119 -11.970   3.527
  163    H    GLU  21           H        GLU  21   2.354  -9.906   5.517
  164    HA   GLU  21           HA       GLU  21   0.450  -7.698   5.202
  165   1HB   GLU  21          1HB       GLU  21   0.817  -8.673   7.468
  166   2HB   GLU  21          2HB       GLU  21   2.534  -8.405   7.341
  167   1HG   GLU  21          1HG       GLU  21   1.595  -6.725   8.810
  168   2HG   GLU  21          2HG       GLU  21   2.171  -5.920   7.377
  169    H    CYS  22           H        CYS  22   1.120  -5.556   4.797
  170    HA   CYS  22           HA       CYS  22   3.586  -5.483   3.232
  171   1HB   CYS  22          1HB       CYS  22   1.415  -3.500   3.762
  172   2HB   CYS  22          2HB       CYS  22   2.882  -2.989   2.945
  173    H    GLN  23           H        GLN  23   5.075  -4.056   3.310
  174    HA   GLN  23           HA       GLN  23   6.300  -3.420   5.909
  175   1HB   GLN  23          1HB       GLN  23   7.521  -4.832   4.326
  176   2HB   GLN  23          2HB       GLN  23   7.202  -3.799   2.981
  177   1HG   GLN  23          1HG       GLN  23   8.646  -2.392   5.149
  178   2HG   GLN  23          2HG       GLN  23   9.513  -3.794   4.554
  179   1HE2  GLN  23          1HE2      GLN  23   8.634  -0.932   1.766
  180   2HE2  GLN  23          2HE2      GLN  23   7.484  -1.213   2.987
  181    H    ALA  24           H        ALA  24   6.619  -1.361   6.511
  182    HA   ALA  24           HA       ALA  24   4.937   0.594   5.474
  183   1HB   ALA  24          1HB       ALA  24   5.737   0.611   7.798
  184   2HB   ALA  24          2HB       ALA  24   7.381   0.972   7.274
  185   3HB   ALA  24          3HB       ALA  24   6.094   2.164   7.059
  186    H    TRP  25           H        TRP  25   5.178   2.505   4.440
  187    HA   TRP  25           HA       TRP  25   6.625   2.333   2.034
  188   1HB   TRP  25          1HB       TRP  25   5.028   4.625   3.296
  189   2HB   TRP  25          2HB       TRP  25   5.656   4.677   1.651
  190    HD1  TRP  25           HD1      TRP  25   2.785   3.176   3.675
  191    HE1  TRP  25           HE1      TRP  25   1.152   2.093   2.050
  192    HE3  TRP  25           HE3      TRP  25   5.625   3.366  -0.544
  193    HZ2  TRP  25           HZ2      TRP  25   1.079   1.434  -0.696
  194    HZ3  TRP  25           HZ3      TRP  25   4.717   2.506  -2.690
  195    HH2  TRP  25           HH2      TRP  25   2.431   1.541  -2.763
  196    H    ASP  26           H        ASP  26   7.915   3.773   5.015
  197    HA   ASP  26           HA       ASP  26   9.404   5.662   3.308
  198   1HB   ASP  26          1HB       ASP  26   8.419   6.160   5.724
  199   2HB   ASP  26          2HB       ASP  26   9.936   5.520   6.295
  200    H    SER  27           H        SER  27  11.748   5.406   5.253
  201    HA   SER  27           HA       SER  27  13.025   3.157   3.706
  202   1HB   SER  27          1HB       SER  27  14.010   5.500   3.555
  203   2HB   SER  27          2HB       SER  27  14.399   5.411   5.280
  204    HG   SER  27           HG       SER  27  16.194   4.667   3.995
  205    H    GLN  28           H        GLN  28  13.074   1.341   4.696
  206    HA   GLN  28           HA       GLN  28  13.794   1.245   7.534
  207   1HB   GLN  28          1HB       GLN  28  11.592  -0.319   7.824
  208   2HB   GLN  28          2HB       GLN  28  11.654   1.367   8.140
  209   1HG   GLN  28          1HG       GLN  28   9.622   0.845   6.850
  210   2HG   GLN  28          2HG       GLN  28  10.619   1.986   5.974
  211   1HE2  GLN  28          1HE2      GLN  28  10.681  -0.143   3.172
  212   2HE2  GLN  28          2HE2      GLN  28  10.632   1.452   3.743
  213    H    SER  29           H        SER  29  12.377  -1.340   5.441
  214    HA   SER  29           HA       SER  29  14.686  -2.676   4.758
  215   1HB   SER  29          1HB       SER  29  14.578  -4.528   6.629
  216   2HB   SER  29          2HB       SER  29  15.205  -2.997   7.177
  217    HG   SER  29           HG       SER  29  12.440  -3.514   7.352
  218    HA   PRO  30           HA       PRO  30  14.816  -5.213   4.124
  219   1HB   PRO  30          1HB       PRO  30  13.870  -5.781   1.334
  220   2HB   PRO  30          2HB       PRO  30  14.626  -6.865   2.490
  221   1HG   PRO  30          1HG       PRO  30  11.952  -7.007   1.987
  222   2HG   PRO  30          2HG       PRO  30  12.536  -7.190   3.637
  223   1HD   PRO  30          1HD       PRO  30  11.425  -4.675   2.349
  224   2HD   PRO  30          2HD       PRO  30  10.977  -5.377   3.905
  225    H    HIS  31           H        HIS  31  13.502  -2.512   2.257
  226    HA   HIS  31           HA       HIS  31  16.198  -1.632   1.886
  227   1HB   HIS  31          1HB       HIS  31  15.210  -3.341  -0.220
  228   2HB   HIS  31          2HB       HIS  31  15.054  -1.743  -0.892
  229    HD1  HIS  31           HD1      HIS  31  17.677  -3.666   1.080
  230    HD2  HIS  31           HD2      HIS  31  17.363  -0.862  -2.028
  231    HE1  HIS  31           HE1      HIS  31  20.050  -3.221   0.209
  232    H    ALA  32           H        ALA  32  16.413   0.390   0.866
  233    HA   ALA  32           HA       ALA  32  14.191   2.166   1.502
  234   1HB   ALA  32          1HB       ALA  32  16.566   2.774   2.041
  235   2HB   ALA  32          2HB       ALA  32  16.971   2.767   0.326
  236   3HB   ALA  32          3HB       ALA  32  15.847   3.966   0.963
  237    H    HIS  33           H        HIS  33  12.889   1.022  -0.063
  238    HA   HIS  33           HA       HIS  33  13.286   1.359  -2.915
  239   1HB   HIS  33          1HB       HIS  33  10.847   0.489  -2.993
  240   2HB   HIS  33          2HB       HIS  33  11.918  -0.509  -2.021
  241    HD1  HIS  33           HD1      HIS  33   9.695   2.553  -1.316
  242    HD2  HIS  33           HD2      HIS  33  10.982  -1.046   0.487
  243    HE1  HIS  33           HE1      HIS  33   8.606   2.396   0.912
  244    H    GLY  34           H        GLY  34  11.395   2.394  -4.217
  245   1HA   GLY  34          1HA       GLY  34  11.447   5.230  -3.609
  246   2HA   GLY  34          2HA       GLY  34  10.634   4.441  -4.979
  247    H    TYR  36           H        TYR  36   9.308   6.429  -4.035
  248    HA   TYR  36           HA       TYR  36   7.323   7.168  -3.296
  249   1HB   TYR  36          1HB       TYR  36   6.381   4.349  -2.627
  250   2HB   TYR  36          2HB       TYR  36   5.414   5.715  -3.108
  251    HD1  TYR  36           HD1      TYR  36   5.743   6.566  -5.610
  252    HD2  TYR  36           HD2      TYR  36   7.088   2.822  -4.121
  253    HE1  TYR  36           HE1      TYR  36   5.806   5.661  -7.904
  254    HE2  TYR  36           HE2      TYR  36   7.166   1.902  -6.362
  255    HH   TYR  36           HH       TYR  36   7.066   2.458  -8.666
  256    H    ILE  37           H        ILE  37   8.883   7.881  -1.646
  257    HA   ILE  37           HA       ILE  37   8.594   6.613   1.005
  258    HB   ILE  37           HB       ILE  37  10.577   8.585  -0.208
  259   1HG1  ILE  37          1HG1      ILE  37  10.919   5.637   0.514
  260   2HG1  ILE  37          2HG1      ILE  37  10.761   6.258  -1.100
  261   1HG2  ILE  37          1HG2      ILE  37  10.357   8.963   2.223
  262   2HG2  ILE  37          2HG2      ILE  37  10.772   7.272   2.522
  263   3HG2  ILE  37          3HG2      ILE  37  11.948   8.357   1.812
  264   1HD1  ILE  37          1HD1      ILE  37  12.877   7.625  -0.772
  265   2HD1  ILE  37          2HD1      ILE  37  13.103   6.803   0.777
  266   3HD1  ILE  37          3HD1      ILE  37  13.116   5.884  -0.712
  267    HA   PRO  38           HA       PRO  38   5.674  10.013   1.743
  268   1HB   PRO  38          1HB       PRO  38   5.627   9.723   4.620
  269   2HB   PRO  38          2HB       PRO  38   4.498   9.075   3.478
  270   1HG   PRO  38          1HG       PRO  38   6.825   7.764   4.798
  271   2HG   PRO  38          2HG       PRO  38   5.353   7.004   4.245
  272   1HD   PRO  38          1HD       PRO  38   7.783   6.797   2.955
  273   2HD   PRO  38          2HD       PRO  38   6.273   6.703   2.036
  274    H    SER  39           H        SER  39   8.761   9.803   3.541
  275    HA   SER  39           HA       SER  39   8.519  12.444   4.587
  276   1HB   SER  39          1HB       SER  39  11.137  12.278   4.699
  277   2HB   SER  39          2HB       SER  39  10.158  11.296   5.726
  278    HG   SER  39           HG       SER  39  10.745   9.497   4.534
  279    H    LYS  40           H        LYS  40   8.688  11.587   1.363
  280    HA   LYS  40           HA       LYS  40   9.995  14.141   0.541
  281   1HB   LYS  40          1HB       LYS  40   9.592  11.413  -0.833
  282   2HB   LYS  40          2HB       LYS  40  10.129  12.809  -1.702
  283   1HG   LYS  40          1HG       LYS  40  11.969  11.248  -1.074
  284   2HG   LYS  40          2HG       LYS  40  12.239  12.901  -0.538
  285   1HD   LYS  40          1HD       LYS  40  11.778  12.381   1.728
  286   2HD   LYS  40          2HD       LYS  40  11.026  10.840   1.326
  287   1HE   LYS  40          1HE       LYS  40  13.226   9.886   0.771
  288   2HE   LYS  40          2HE       LYS  40  14.012  11.431   1.099
  289   1HZ   LYS  40          1HZ       LYS  40  12.310  10.076   3.110
  290   2HZ   LYS  40          2HZ       LYS  40  13.982   9.794   2.987
  291   3HZ   LYS  40          3HZ       LYS  40  13.362  11.333   3.344
  292    H    PHE  41           H        PHE  41   7.002  13.105   1.302
  293    HA   PHE  41           HA       PHE  41   5.811  14.474  -1.057
  294   1HB   PHE  41          1HB       PHE  41   4.761  12.101   0.524
  295   2HB   PHE  41          2HB       PHE  41   3.765  13.059  -0.542
  296    HD1  PHE  41           HD1      PHE  41   4.304  13.296  -2.962
  297    HD2  PHE  41           HD2      PHE  41   6.339  10.533  -0.444
  298    HE1  PHE  41           HE1      PHE  41   5.019  12.018  -4.945
  299    HE2  PHE  41           HE2      PHE  41   7.072   9.267  -2.411
  300    HZ   PHE  41           HZ       PHE  41   6.412  10.002  -4.682
  301    HA   PRO  42           HA       PRO  42   3.849  16.943   2.246
  302   1HB   PRO  42          1HB       PRO  42   3.046  19.009   0.583
  303   2HB   PRO  42          2HB       PRO  42   4.648  18.912   1.292
  304   1HG   PRO  42          1HG       PRO  42   3.839  18.121  -1.502
  305   2HG   PRO  42          2HG       PRO  42   5.258  19.040  -1.015
  306   1HD   PRO  42          1HD       PRO  42   5.313  16.338  -1.577
  307   2HD   PRO  42          2HD       PRO  42   6.423  17.038  -0.396
  308    H    ASN  43           H        ASN  43   3.046  15.243  -0.549
  309    HA   ASN  43           HA       ASN  43   0.190  15.691  -0.559
  310   1HB   ASN  43          1HB       ASN  43   1.619  14.874  -2.541
  311   2HB   ASN  43          2HB       ASN  43   1.863  13.354  -1.710
  312   1HD2  ASN  43          1HD2      ASN  43  -0.779  12.811  -4.160
  313   2HD2  ASN  43          2HD2      ASN  43   0.913  13.165  -4.158
  314    H    LYS  44           H        LYS  44  -1.330  13.848   0.043
  315    HA   LYS  44           HA       LYS  44  -0.374  12.645   2.590
  316   1HB   LYS  44          1HB       LYS  44  -2.509  12.787   3.391
  317   2HB   LYS  44          2HB       LYS  44  -2.518  14.142   2.315
  318   1HG   LYS  44          1HG       LYS  44  -3.885  11.441   1.975
  319   2HG   LYS  44          2HG       LYS  44  -4.609  13.001   2.143
  320   1HD   LYS  44          1HD       LYS  44  -3.652  13.601  -0.168
  321   2HD   LYS  44          2HD       LYS  44  -3.081  11.966  -0.304
  322   1HE   LYS  44          1HE       LYS  44  -5.972  12.906  -0.220
  323   2HE   LYS  44          2HE       LYS  44  -5.162  11.994  -1.467
  324   1HZ   LYS  44          1HZ       LYS  44  -5.844  10.924   1.221
  325   2HZ   LYS  44          2HZ       LYS  44  -6.715  10.705  -0.179
  326   3HZ   LYS  44          3HZ       LYS  44  -5.169  10.038   0.033
  327    H    ASN  45           H        ASN  45   0.191  11.689  -0.214
  328    HA   ASN  45           HA       ASN  45  -1.379   9.400  -0.705
  329   1HB   ASN  45          1HB       ASN  45   0.364   8.696  -2.339
  330   2HB   ASN  45          2HB       ASN  45  -0.187  10.352  -2.553
  331   1HD2  ASN  45          1HD2      ASN  45   3.474  10.389  -2.970
  332   2HD2  ASN  45          2HD2      ASN  45   2.162   9.682  -3.824
  333    H    LEU  46           H        LEU  46   2.126   9.022   0.120
  334    HA   LEU  46           HA       LEU  46   1.491   6.381   1.076
  335   1HB   LEU  46          1HB       LEU  46   4.055   7.974   1.519
  336   2HB   LEU  46          2HB       LEU  46   3.835   6.298   1.913
  337    HG   LEU  46           HG       LEU  46   4.776   5.935  -0.052
  338   1HD1  LEU  46          1HD1      LEU  46   2.441   5.125  -0.479
  339   2HD1  LEU  46          2HD1      LEU  46   2.112   6.624  -1.347
  340   3HD1  LEU  46          3HD1      LEU  46   3.355   5.519  -1.918
  341   1HD2  LEU  46          1HD2      LEU  46   3.896   8.666  -1.034
  342   2HD2  LEU  46          2HD2      LEU  46   5.478   8.201  -0.428
  343   3HD2  LEU  46          3HD2      LEU  46   4.897   7.553  -1.956
  344    H    LYS  47           H        LYS  47   2.084   5.544   3.229
  345    HA   LYS  47           HA       LYS  47   1.492   7.406   5.359
  346   1HB   LYS  47          1HB       LYS  47  -0.658   6.242   4.131
  347   2HB   LYS  47          2HB       LYS  47  -0.287   4.905   5.107
  348   1HG   LYS  47          1HG       LYS  47  -1.934   6.288   6.278
  349   2HG   LYS  47          2HG       LYS  47  -0.421   6.480   7.132
  350   1HD   LYS  47          1HD       LYS  47  -1.464   8.626   6.941
  351   2HD   LYS  47          2HD       LYS  47  -0.061   8.701   5.935
  352   1HE   LYS  47          1HE       LYS  47  -2.894   8.152   4.913
  353   2HE   LYS  47          2HE       LYS  47  -2.174   9.740   4.986
  354   1HZ   LYS  47          1HZ       LYS  47  -0.420   8.914   3.458
  355   2HZ   LYS  47          2HZ       LYS  47  -1.354   7.557   3.161
  356   3HZ   LYS  47          3HZ       LYS  47  -1.955   9.072   2.815
  357    H    LYS  48           H        LYS  48   0.784   4.811   6.909
  358    HA   LYS  48           HA       LYS  48   3.513   4.232   7.692
  359   1HB   LYS  48          1HB       LYS  48   0.964   2.689   8.477
  360   2HB   LYS  48          2HB       LYS  48   2.516   2.562   9.252
  361   1HG   LYS  48          1HG       LYS  48   0.744   5.057   9.167
  362   2HG   LYS  48          2HG       LYS  48   0.937   3.973  10.515
  363   1HD   LYS  48          1HD       LYS  48   3.396   4.576  10.631
  364   2HD   LYS  48          2HD       LYS  48   3.162   5.686   9.308
  365   1HE   LYS  48          1HE       LYS  48   3.125   6.989  11.334
  366   2HE   LYS  48          2HE       LYS  48   1.497   6.994  10.679
  367   1HZ   LYS  48          1HZ       LYS  48   2.479   5.283  12.879
  368   2HZ   LYS  48          2HZ       LYS  48   1.516   6.668  13.029
  369   3HZ   LYS  48          3HZ       LYS  48   0.901   5.290  12.261
  370    H    ASN  49           H        ASN  49   1.331   1.497   7.070
  371    HA   ASN  49           HA       ASN  49   2.970   0.723   4.702
  372   1HB   ASN  49          1HB       ASN  49   2.767  -1.627   5.434
  373   2HB   ASN  49          2HB       ASN  49   3.552  -0.690   6.698
  374   1HD2  ASN  49          1HD2      ASN  49   0.937  -3.086   8.023
  375   2HD2  ASN  49          2HD2      ASN  49   2.301  -3.204   7.026
  376    H    TYR  50           H        TYR  50   0.041   1.536   5.896
  377    HA   TYR  50           HA       TYR  50  -1.872   0.053   4.640
  378   1HB   TYR  50          1HB       TYR  50  -1.926   3.114   4.775
  379   2HB   TYR  50          2HB       TYR  50  -3.327   2.072   4.742
  380    HD1  TYR  50           HD1      TYR  50  -2.595  -0.059   6.688
  381    HD2  TYR  50           HD2      TYR  50  -2.002   4.166   6.888
  382    HE1  TYR  50           HE1      TYR  50  -2.506  -0.209   9.100
  383    HE2  TYR  50           HE2      TYR  50  -1.961   4.031   9.342
  384    HH   TYR  50           HH       TYR  50  -1.310   1.710  11.041
  385    H    CYS  51           H        CYS  51  -2.652  -0.352   2.686
  386    HA   CYS  51           HA       CYS  51  -0.980   0.083   0.510
  387   1HB   CYS  51          1HB       CYS  51  -3.953  -0.529   0.266
  388   2HB   CYS  51          2HB       CYS  51  -2.697  -1.045  -0.810
  389    H    ARG  52           H        ARG  52  -1.061   1.287  -1.335
  390    HA   ARG  52           HA       ARG  52  -2.966   3.519  -1.533
  391   1HB   ARG  52          1HB       ARG  52   0.109   3.793  -1.420
  392   2HB   ARG  52          2HB       ARG  52  -0.921   5.091  -1.954
  393   1HG   ARG  52          1HG       ARG  52  -1.007   3.914   0.838
  394   2HG   ARG  52          2HG       ARG  52  -0.264   5.404   0.356
  395   1HD   ARG  52          1HD       ARG  52  -3.250   4.778   0.244
  396   2HD   ARG  52          2HD       ARG  52  -2.451   5.948   1.275
  397    HE   ARG  52           HE       ARG  52  -1.847   7.248  -0.534
  398   1HH1  ARG  52          1HH1      ARG  52  -4.668   5.232  -0.884
  399   2HH1  ARG  52          2HH1      ARG  52  -5.071   5.606  -2.522
  400   1HH2  ARG  52          1HH2      ARG  52  -2.407   7.996  -2.766
  401   2HH2  ARG  52          2HH2      ARG  52  -3.899   7.525  -3.464
  402    H    ASN  53           H        ASN  53  -1.780   4.818  -3.702
  403    HA   ASN  53           HA       ASN  53  -1.217   2.693  -5.597
  404   1HB   ASN  53          1HB       ASN  53  -3.942   3.594  -5.209
  405   2HB   ASN  53          2HB       ASN  53  -3.472   4.363  -6.716
  406   1HD2  ASN  53          1HD2      ASN  53  -4.820   1.066  -7.520
  407   2HD2  ASN  53          2HD2      ASN  53  -5.425   2.270  -6.418
  408    HA   PRO  54           HA       PRO  54   1.024   6.716  -5.899
  409   1HB   PRO  54          1HB       PRO  54   3.289   4.849  -6.593
  410   2HB   PRO  54          2HB       PRO  54   3.303   6.237  -5.524
  411   1HG   PRO  54          1HG       PRO  54   3.285   3.709  -4.509
  412   2HG   PRO  54          2HG       PRO  54   2.374   5.007  -3.743
  413   1HD   PRO  54          1HD       PRO  54   1.263   2.825  -5.488
  414   2HD   PRO  54          2HD       PRO  54   0.607   3.562  -4.028
  415    H    ASP  55           H        ASP  55   1.088   3.936  -8.076
  416    HA   ASP  55           HA       ASP  55   1.461   5.663 -10.451
  417   1HB   ASP  55          1HB       ASP  55   2.157   3.520 -11.527
  418   2HB   ASP  55          2HB       ASP  55   3.116   3.806 -10.091
  419    H    ARG  56           H        ARG  56  -0.915   4.668  -8.630
  420    HA   ARG  56           HA       ARG  56  -2.766   3.694  -8.675
  421   1HB   ARG  56          1HB       ARG  56  -4.576   4.787  -9.471
  422   2HB   ARG  56          2HB       ARG  56  -3.436   5.891  -8.891
  423   1HG   ARG  56          1HG       ARG  56  -3.734   5.297 -11.900
  424   2HG   ARG  56          2HG       ARG  56  -4.649   6.524 -11.066
  425   1HD   ARG  56          1HD       ARG  56  -1.671   6.509 -11.591
  426   2HD   ARG  56          2HD       ARG  56  -2.849   7.743 -12.055
  427    HE   ARG  56           HE       ARG  56  -3.167   7.905  -9.444
  428   1HH1  ARG  56          1HH1      ARG  56  -0.113   7.761 -11.217
  429   2HH1  ARG  56          2HH1      ARG  56   0.836   7.830  -9.755
  430   1HH2  ARG  56          1HH2      ARG  56  -1.932   8.198  -7.648
  431   2HH2  ARG  56          2HH2      ARG  56  -0.194   8.315  -7.743
  432    H    GLU  57           H        GLU  57  -1.854   1.866  -9.114
  433    HA   GLU  57           HA       GLU  57  -2.310   0.294 -11.452
  434   1HB   GLU  57          1HB       GLU  57  -0.629  -0.198  -9.640
  435   2HB   GLU  57          2HB       GLU  57  -1.897  -0.250  -8.459
  436   1HG   GLU  57          1HG       GLU  57  -1.124  -2.466  -8.868
  437   2HG   GLU  57          2HG       GLU  57  -2.789  -2.361  -9.366
  438    H    LEU  58           H        LEU  58  -3.862  -1.599 -11.295
  439    HA   LEU  58           HA       LEU  58  -6.486  -0.643 -11.216
  440   1HB   LEU  58          1HB       LEU  58  -5.749  -2.695 -12.425
  441   2HB   LEU  58          2HB       LEU  58  -5.444  -3.513 -10.919
  442    HG   LEU  58           HG       LEU  58  -7.848  -3.441 -10.352
  443   1HD1  LEU  58          1HD1      LEU  58  -8.223  -2.173 -13.108
  444   2HD1  LEU  58          2HD1      LEU  58  -9.525  -2.797 -12.098
  445   3HD1  LEU  58          3HD1      LEU  58  -8.587  -1.419 -11.555
  446   1HD2  LEU  58          1HD2      LEU  58  -6.922  -5.413 -11.522
  447   2HD2  LEU  58          2HD2      LEU  58  -8.594  -5.132 -11.995
  448   3HD2  LEU  58          3HD2      LEU  58  -7.284  -4.677 -13.082
  449    H    ARG  59           H        ARG  59  -4.901  -2.735  -8.870
  450    HA   ARG  59           HA       ARG  59  -6.923  -2.086  -6.812
  451   1HB   ARG  59          1HB       ARG  59  -6.508  -4.432  -7.715
  452   2HB   ARG  59          2HB       ARG  59  -4.927  -4.418  -7.009
  453   1HG   ARG  59          1HG       ARG  59  -5.893  -4.433  -4.753
  454   2HG   ARG  59          2HG       ARG  59  -7.508  -4.216  -5.409
  455   1HD   ARG  59          1HD       ARG  59  -7.292  -6.377  -6.689
  456   2HD   ARG  59          2HD       ARG  59  -5.718  -6.671  -5.934
  457    HE   ARG  59           HE       ARG  59  -7.365  -6.224  -3.852
  458   1HH1  ARG  59          1HH1      ARG  59  -6.993  -8.434  -6.539
  459   2HH1  ARG  59          2HH1      ARG  59  -7.841  -9.774  -5.870
  460   1HH2  ARG  59          1HH2      ARG  59  -8.753  -8.095  -2.895
  461   2HH2  ARG  59          2HH2      ARG  59  -8.749  -9.576  -3.710
  462    HA   PRO  61           HA       PRO  61  -3.587   0.251  -4.853
  463   1HB   PRO  61          1HB       PRO  61  -4.368   0.265  -2.190
  464   2HB   PRO  61          2HB       PRO  61  -5.194   1.197  -3.424
  465   1HG   PRO  61          1HG       PRO  61  -5.978  -1.510  -2.351
  466   2HG   PRO  61          2HG       PRO  61  -7.022  -0.103  -2.587
  467   1HD   PRO  61          1HD       PRO  61  -6.895  -2.179  -4.418
  468   2HD   PRO  61          2HD       PRO  61  -7.107  -0.506  -4.961
  469    H    TRP  62           H        TRP  62  -1.631  -0.233  -4.007
  470    HA   TRP  62           HA       TRP  62  -1.279  -2.965  -2.844
  471   1HB   TRP  62          1HB       TRP  62   0.747  -3.224  -4.337
  472   2HB   TRP  62          2HB       TRP  62  -0.699  -2.973  -5.283
  473    HD1  TRP  62           HD1      TRP  62  -0.969  -0.605  -6.585
  474    HE1  TRP  62           HE1      TRP  62   0.780   1.159  -7.251
  475    HE3  TRP  62           HE3      TRP  62   2.847  -2.094  -3.591
  476    HZ2  TRP  62           HZ2      TRP  62   3.415   1.864  -6.476
  477    HZ3  TRP  62           HZ3      TRP  62   4.960  -0.832  -3.521
  478    HH2  TRP  62           HH2      TRP  62   5.253   1.147  -4.967
  479    H    CYS  63           H        CYS  63   1.031  -3.201  -2.087
  480    HA   CYS  63           HA       CYS  63   2.482  -0.873  -1.290
  481   1HB   CYS  63          1HB       CYS  63   2.413  -1.537   1.248
  482   2HB   CYS  63          2HB       CYS  63   1.081  -0.629   0.633
  483    H    PHE  64           H        PHE  64   4.433  -1.596   0.005
  484    HA   PHE  64           HA       PHE  64   5.554  -3.798  -1.524
  485   1HB   PHE  64          1HB       PHE  64   6.685  -2.027   0.719
  486   2HB   PHE  64          2HB       PHE  64   7.647  -3.208  -0.154
  487    HD1  PHE  64           HD1      PHE  64   7.517  -3.074  -2.769
  488    HD2  PHE  64           HD2      PHE  64   6.680   0.198  -0.146
  489    HE1  PHE  64           HE1      PHE  64   8.003  -1.458  -4.591
  490    HE2  PHE  64           HE2      PHE  64   7.221   1.781  -1.962
  491    HZ   PHE  64           HZ       PHE  64   7.939   0.904  -4.180
  492    H    THR  65           H        THR  65   6.356  -5.776  -0.637
  493    HA   THR  65           HA       THR  65   4.773  -6.539   1.766
  494    HB   THR  65           HB       THR  65   4.811  -8.687   1.094
  495    HG1  THR  65           HG1      THR  65   7.228  -8.344  -0.306
  496   1HG2  THR  65          1HG2      THR  65   3.783  -7.361  -0.779
  497   2HG2  THR  65          2HG2      THR  65   5.289  -7.464  -1.671
  498   3HG2  THR  65          3HG2      THR  65   4.399  -8.929  -1.272
  499    H    THR  66           H        THR  66   5.850  -8.039   3.419
  500    HA   THR  66           HA       THR  66   8.391  -6.857   4.193
  501    HB   THR  66           HB       THR  66   8.021  -8.519   6.147
  502    HG1  THR  66           HG1      THR  66   6.668  -9.994   4.977
  503   1HG2  THR  66          1HG2      THR  66   5.740  -6.584   5.500
  504   2HG2  THR  66          2HG2      THR  66   6.072  -7.288   7.075
  505   3HG2  THR  66          3HG2      THR  66   7.232  -6.183   6.342
  506    H    ASP  67           H        ASP  67   7.499  -9.347   2.025
  507    HA   ASP  67           HA       ASP  67   9.625 -11.176   2.742
  508   1HB   ASP  67          1HB       ASP  67   7.614 -12.108   1.705
  509   2HB   ASP  67          2HB       ASP  67   7.713 -10.970   0.378
  510    HA   PRO  68           HA       PRO  68  12.517  -8.554   0.409
  511   1HB   PRO  68          1HB       PRO  68  14.805 -10.108   0.677
  512   2HB   PRO  68          2HB       PRO  68  14.151  -9.091   1.949
  513   1HG   PRO  68          1HG       PRO  68  13.753 -12.060   1.608
  514   2HG   PRO  68          2HG       PRO  68  14.169 -11.195   3.086
  515   1HD   PRO  68          1HD       PRO  68  11.611 -11.991   2.485
  516   2HD   PRO  68          2HD       PRO  68  11.892 -10.489   3.390
  517    H    ASN  69           H        ASN  69  11.111 -11.445  -0.572
  518    HA   ASN  69           HA       ASN  69  12.535 -11.308  -3.197
  519   1HB   ASN  69          1HB       ASN  69  11.069 -13.654  -1.859
  520   2HB   ASN  69          2HB       ASN  69  11.665 -13.670  -3.505
  521   1HD2  ASN  69          1HD2      ASN  69  15.088 -13.198  -1.652
  522   2HD2  ASN  69          2HD2      ASN  69  14.064 -11.878  -2.095
  523    H    LYS  70           H        LYS  70   9.721 -10.296  -1.636
  524    HA   LYS  70           HA       LYS  70   8.408 -10.185  -4.300
  525   1HB   LYS  70          1HB       LYS  70   7.239 -11.804  -2.701
  526   2HB   LYS  70          2HB       LYS  70   6.989 -10.495  -1.608
  527   1HG   LYS  70          1HG       LYS  70   4.957 -10.573  -2.782
  528   2HG   LYS  70          2HG       LYS  70   5.784  -9.261  -3.575
  529   1HD   LYS  70          1HD       LYS  70   6.621 -11.173  -5.256
  530   2HD   LYS  70          2HD       LYS  70   5.370 -12.124  -4.516
  531   1HE   LYS  70          1HE       LYS  70   5.125  -9.742  -6.353
  532   2HE   LYS  70          2HE       LYS  70   4.217 -11.246  -6.349
  533   1HZ   LYS  70          1HZ       LYS  70   3.185 -10.333  -4.215
  534   2HZ   LYS  70          2HZ       LYS  70   3.879  -8.851  -4.702
  535   3HZ   LYS  70          3HZ       LYS  70   2.751  -9.619  -5.681
  536    H    ARG  71           H        ARG  71   8.876  -8.218  -4.888
  537    HA   ARG  71           HA       ARG  71   9.261  -6.059  -3.096
  538   1HB   ARG  71          1HB       ARG  71  10.212  -6.192  -5.379
  539   2HB   ARG  71          2HB       ARG  71   8.690  -5.919  -6.117
  540   1HG   ARG  71          1HG       ARG  71   9.243  -3.793  -4.144
  541   2HG   ARG  71          2HG       ARG  71  10.644  -4.030  -5.121
  542   1HD   ARG  71          1HD       ARG  71   7.863  -3.275  -6.180
  543   2HD   ARG  71          2HD       ARG  71   9.307  -2.265  -6.075
  544    HE   ARG  71           HE       ARG  71   9.360  -4.728  -7.675
  545   1HH1  ARG  71          1HH1      ARG  71   8.923  -1.229  -7.745
  546   2HH1  ARG  71          2HH1      ARG  71   9.859  -0.940  -9.137
  547   1HH2  ARG  71          1HH2      ARG  71  10.491  -4.402  -9.704
  548   2HH2  ARG  71          2HH2      ARG  71  10.568  -2.834 -10.403
  549    H    TRP  72           H        TRP  72   6.681  -5.793  -5.592
  550    HA   TRP  72           HA       TRP  72   4.988  -4.519  -3.550
  551   1HB   TRP  72          1HB       TRP  72   3.805  -3.520  -5.434
  552   2HB   TRP  72          2HB       TRP  72   5.491  -3.168  -5.607
  553    HD1  TRP  72           HD1      TRP  72   6.911  -4.823  -7.495
  554    HE1  TRP  72           HE1      TRP  72   6.070  -5.454  -9.799
  555    HE3  TRP  72           HE3      TRP  72   1.934  -4.190  -6.708
  556    HZ2  TRP  72           HZ2      TRP  72   3.575  -5.606 -11.156
  557    HZ3  TRP  72           HZ3      TRP  72   0.344  -4.531  -8.588
  558    HH2  TRP  72           HH2      TRP  72   1.159  -5.163 -10.789
  559    H    GLU  73           H        GLU  73   2.653  -4.877  -3.661
  560    HA   GLU  73           HA       GLU  73   1.649  -6.997  -5.221
  561   1HB   GLU  73          1HB       GLU  73   2.859  -8.281  -3.238
  562   2HB   GLU  73          2HB       GLU  73   1.655  -7.630  -2.232
  563   1HG   GLU  73          1HG       GLU  73  -0.151  -8.695  -3.573
  564   2HG   GLU  73          2HG       GLU  73   0.985  -9.264  -4.761
  565    H    LEU  74           H        LEU  74  -0.511  -7.081  -5.284
  566    HA   LEU  74           HA       LEU  74  -1.880  -4.686  -4.515
  567   1HB   LEU  74          1HB       LEU  74  -3.163  -7.295  -5.476
  568   2HB   LEU  74          2HB       LEU  74  -3.832  -5.696  -5.575
  569    HG   LEU  74           HG       LEU  74  -1.396  -6.672  -7.143
  570   1HD1  LEU  74          1HD1      LEU  74  -3.493  -7.746  -7.885
  571   2HD1  LEU  74          2HD1      LEU  74  -4.239  -6.172  -8.120
  572   3HD1  LEU  74          3HD1      LEU  74  -2.862  -6.649  -9.104
  573   1HD2  LEU  74          1HD2      LEU  74  -2.796  -3.958  -7.166
  574   2HD2  LEU  74          2HD2      LEU  74  -1.098  -4.306  -6.894
  575   3HD2  LEU  74          3HD2      LEU  74  -1.803  -4.541  -8.484
  576    H    CYS  75           H        CYS  75  -3.427  -4.378  -2.994
  577    HA   CYS  75           HA       CYS  75  -3.591  -6.264  -0.748
  578   1HB   CYS  75          1HB       CYS  75  -4.597  -3.397  -1.111
  579   2HB   CYS  75          2HB       CYS  75  -4.630  -4.282   0.395
  580    H    ASP  76           H        ASP  76  -5.528  -6.844   0.227
  581    HA   ASP  76           HA       ASP  76  -7.838  -6.734  -1.676
  582   1HB   ASP  76          1HB       ASP  76  -7.205  -9.051  -0.965
  583   2HB   ASP  76          2HB       ASP  76  -7.495  -8.621   0.714
  584    H    ILE  77           H        ILE  77  -9.207  -5.267  -1.311
  585    HA   ILE  77           HA       ILE  77  -9.367  -3.985   1.363
  586    HB   ILE  77           HB       ILE  77  -9.902  -2.871  -1.423
  587   1HG1  ILE  77          1HG1      ILE  77  -7.544  -3.215  -1.299
  588   2HG1  ILE  77          2HG1      ILE  77  -7.867  -1.519  -1.100
  589   1HG2  ILE  77          1HG2      ILE  77 -11.257  -1.669   0.275
  590   2HG2  ILE  77          2HG2      ILE  77  -9.799  -1.305   1.189
  591   3HG2  ILE  77          3HG2      ILE  77 -10.009  -0.663  -0.436
  592   1HD1  ILE  77          1HD1      ILE  77  -7.542  -1.738   1.388
  593   2HD1  ILE  77          2HD1      ILE  77  -7.154  -3.442   1.178
  594   3HD1  ILE  77          3HD1      ILE  77  -6.115  -2.217   0.478
  595    HA   PRO  78           HA       PRO  78 -13.549  -5.551   1.175
  596   1HB   PRO  78          1HB       PRO  78 -14.606  -4.345   3.434
  597   2HB   PRO  78          2HB       PRO  78 -13.415  -5.628   3.465
  598   1HG   PRO  78          1HG       PRO  78 -12.914  -2.665   3.768
  599   2HG   PRO  78          2HG       PRO  78 -12.247  -3.956   4.764
  600   1HD   PRO  78          1HD       PRO  78 -10.883  -2.782   2.652
  601   2HD   PRO  78          2HD       PRO  78 -10.599  -4.467   3.136
  602    H    ARG  79           H        ARG  79 -14.592  -4.785  -0.488
  603    HA   ARG  79           HA       ARG  79 -15.247  -1.956  -0.787
  604   1HB   ARG  79          1HB       ARG  79 -16.264  -2.446  -2.848
  605   2HB   ARG  79          2HB       ARG  79 -15.010  -3.643  -2.724
  606   1HG   ARG  79          1HG       ARG  79 -16.890  -5.214  -1.777
  607   2HG   ARG  79          2HG       ARG  79 -18.008  -3.975  -2.284
  608   1HD   ARG  79          1HD       ARG  79 -17.211  -4.163  -4.649
  609   2HD   ARG  79          2HD       ARG  79 -16.122  -5.469  -4.201
  610    HE   ARG  79           HE       ARG  79 -18.957  -5.527  -4.595
  611   1HH1  ARG  79          1HH1      ARG  79 -16.305  -7.004  -2.850
  612   2HH1  ARG  79          2HH1      ARG  79 -17.042  -8.541  -2.597
  613   1HH2  ARG  79          1HH2      ARG  79 -20.024  -7.597  -4.279
  614   2HH2  ARG  79          2HH2      ARG  79 -19.243  -8.874  -3.441
  615    H    CYS  80           H        CYS  80 -17.117  -0.868  -0.310
  616    HA   CYS  80           HA       CYS  80 -18.927  -2.160   1.621
  617   1HB   CYS  80          1HB       CYS  80 -18.817   0.691   0.489
  618   2HB   CYS  80          2HB       CYS  80 -20.168   0.112   1.443
  619    H    THR  81           H        THR  81 -20.949  -2.921   1.243
  620    HA   THR  81           HA       THR  81 -22.054  -2.625  -1.492
  621    HB   THR  81           HB       THR  81 -22.731  -5.071  -1.244
  622    HG1  THR  81           HG1      THR  81 -22.415  -4.998   1.124
  623   1HG2  THR  81          1HG2      THR  81 -20.599  -4.470  -2.483
  624   2HG2  THR  81          2HG2      THR  81 -19.706  -4.720  -0.983
  625   3HG2  THR  81          3HG2      THR  81 -20.551  -6.066  -1.729
  626    H1   AMH  84           H1       AMH  84   6.221  -1.480  -9.639
  627   1H2   AMH  84          1H2       AMH  84   5.965   0.894 -10.432
  628   2H2   AMH  84          2H2       AMH  84   4.818   1.180  -9.097
  629   1H3   AMH  84          1H3       AMH  84   3.749   0.651 -11.366
  630   2H3   AMH  84          2H3       AMH  84   4.525  -0.926 -11.258
  631    H4   AMH  84           H4       AMH  84   2.499   0.189  -9.255
  632   1H5   AMH  84          1H5       AMH  84   2.684  -1.990  -8.172
  633   2H5   AMH  84          2H5       AMH  84   3.737  -2.570  -9.454
  634   1H6   AMH  84          1H6       AMH  84   5.199  -2.169  -7.606
  635   2H6   AMH  84          2H6       AMH  84   4.520  -0.592  -7.314
  636   1H7   AMH  84          1H7       AMH  84   1.165  -1.912 -10.125
  637   2H7   AMH  84          2H7       AMH  84   1.204  -0.450 -11.131
  638   1HN   AMH  84          1HN       AMH  84   1.604  -2.625 -12.171
  639   2HN   AMH  84          2HN       AMH  84   2.667  -1.438 -12.566
  640   3HN   AMH  84          3HN       AMH  84   3.110  -2.623 -11.525
  Start of MODEL   19
    1   1H    THR  -4          1H        THR  -4 -12.523   4.568   9.500
    2   2H    THR  -4          2H        THR  -4 -11.562   3.508  10.366
    3   3H    THR  -4          3H        THR  -4 -11.924   3.201   8.769
    4    HA   THR  -4           HA       THR  -4 -13.485   1.934   9.490
    5    HB   THR  -4           HB       THR  -4 -13.681   3.369  12.183
    6    HG1  THR  -4           HG1      THR  -4 -11.573   2.415  12.671
    7   1HG2  THR  -4          1HG2      THR  -4 -14.840   1.152  11.769
    8   2HG2  THR  -4          2HG2      THR  -4 -13.273   0.400  11.485
    9   3HG2  THR  -4          3HG2      THR  -4 -13.677   1.042  13.078
   10    H    SER  -3           H        SER  -3 -13.999   3.593   7.845
   11    HA   SER  -3           HA       SER  -3 -16.335   5.227   8.511
   12   1HB   SER  -3          1HB       SER  -3 -14.614   7.341   7.962
   13   2HB   SER  -3          2HB       SER  -3 -14.822   6.695   9.564
   14    HG   SER  -3           HG       SER  -3 -12.670   6.114   7.826
   15    H    GLU  -2           H        GLU  -2 -13.561   4.685   6.269
   16    HA   GLU  -2           HA       GLU  -2 -15.421   5.026   4.009
   17   1HB   GLU  -2          1HB       GLU  -2 -14.124   6.711   2.983
   18   2HB   GLU  -2          2HB       GLU  -2 -14.355   7.255   4.613
   19   1HG   GLU  -2          1HG       GLU  -2 -11.786   5.974   3.517
   20   2HG   GLU  -2          2HG       GLU  -2 -12.068   7.679   3.685
   21    H    GLU  -1           H        GLU  -1 -13.524   2.842   5.379
   22    HA   GLU  -1           HA       GLU  -1 -11.781   2.259   3.152
   23   1HB   GLU  -1          1HB       GLU  -1 -12.498   0.487   5.543
   24   2HB   GLU  -1          2HB       GLU  -1 -11.237   0.195   4.388
   25   1HG   GLU  -1          1HG       GLU  -1 -10.061   1.129   6.183
   26   2HG   GLU  -1          2HG       GLU  -1 -10.211   2.485   5.086
   27    H    CYS   1           H        CYS   1 -13.684   2.382   1.603
   28    HA   CYS   1           HA       CYS   1 -13.988  -0.309   0.775
   29   1HB   CYS   1          1HB       CYS   1 -16.296  -0.607   0.634
   30   2HB   CYS   1          2HB       CYS   1 -16.067  -0.025   2.243
   31    H    MET   2           H        MET   2 -13.960  -0.374  -1.403
   32    HA   MET   2           HA       MET   2 -14.004   2.290  -2.823
   33   1HB   MET   2          1HB       MET   2 -11.902   0.063  -2.809
   34   2HB   MET   2          2HB       MET   2 -11.964   1.203  -4.122
   35   1HG   MET   2          1HG       MET   2 -10.244   1.725  -2.408
   36   2HG   MET   2          2HG       MET   2 -11.276   3.047  -2.876
   37   1HE   MET   2          1HE       MET   2 -10.073   0.606  -0.314
   38   2HE   MET   2          2HE       MET   2 -10.817   1.075   1.209
   39   3HE   MET   2          3HE       MET   2 -11.748   0.128   0.036
   40    H    HIS   3           H        HIS   3 -13.727   1.924  -5.172
   41    HA   HIS   3           HA       HIS   3 -15.834   0.108  -6.107
   42   1HB   HIS   3          1HB       HIS   3 -13.986   2.006  -7.684
   43   2HB   HIS   3          2HB       HIS   3 -15.371   1.166  -8.351
   44    HD1  HIS   3           HD1      HIS   3 -14.897   4.405  -7.770
   45    HD2  HIS   3           HD2      HIS   3 -17.545   1.738  -5.889
   46    HE1  HIS   3           HE1      HIS   3 -16.776   5.783  -6.763
   47    H    GLY   4           H        GLY   4 -12.344   0.526  -6.427
   48   1HA   GLY   4          1HA       GLY   4 -11.807  -2.250  -6.580
   49   2HA   GLY   4          2HA       GLY   4 -11.829  -1.605  -8.240
   50    H    SER   5           H        SER   5 -10.479   0.619  -8.432
   51    HA   SER   5           HA       SER   5  -7.838  -0.004  -7.489
   52   1HB   SER   5          1HB       SER   5  -8.652   2.557  -8.937
   53   2HB   SER   5          2HB       SER   5  -7.184   1.618  -9.139
   54    HG   SER   5           HG       SER   5  -8.545  -0.026 -10.070
   55    H    GLY   6           H        GLY   6 -10.355   2.314  -6.773
   56   1HA   GLY   6          1HA       GLY   6 -10.636   3.642  -4.880
   57   2HA   GLY   6          2HA       GLY   6  -9.347   2.662  -4.133
   58    H    GLU   7           H        GLU   7  -9.356   4.805  -6.866
   59    HA   GLU   7           HA       GLU   7  -6.851   6.005  -6.351
   60   1HB   GLU   7          1HB       GLU   7  -7.903   6.010  -8.560
   61   2HB   GLU   7          2HB       GLU   7  -9.273   6.911  -7.975
   62   1HG   GLU   7          1HG       GLU   7  -7.924   8.357  -9.328
   63   2HG   GLU   7          2HG       GLU   7  -7.853   8.940  -7.683
   64    H    ASN   8           H        ASN   8  -9.878   6.653  -4.897
   65    HA   ASN   8           HA       ASN   8  -8.915   9.220  -3.724
   66   1HB   ASN   8          1HB       ASN   8 -11.117   9.236  -4.971
   67   2HB   ASN   8          2HB       ASN   8 -11.727   7.977  -3.923
   68   1HD2  ASN   8          1HD2      ASN   8 -11.671  11.841  -2.643
   69   2HD2  ASN   8          2HD2      ASN   8 -10.677  11.446  -3.995
   70    H    TYR   9           H        TYR   9  -8.745   6.042  -2.992
   71    HA   TYR   9           HA       TYR   9  -9.736   5.977  -0.318
   72   1HB   TYR   9          1HB       TYR   9  -9.294   3.945  -1.796
   73   2HB   TYR   9          2HB       TYR   9  -7.587   4.316  -1.798
   74    HD1  TYR   9           HD1      TYR   9  -9.656   4.518   1.280
   75    HD2  TYR   9           HD2      TYR   9  -6.923   2.153  -1.013
   76    HE1  TYR   9           HE1      TYR   9  -9.348   3.112   3.172
   77    HE2  TYR   9           HE2      TYR   9  -6.687   0.624   0.883
   78    HH   TYR   9           HH       TYR   9  -8.498   0.941   3.840
   79    H    ASP  10           H        ASP  10  -8.462   6.144   1.720
   80    HA   ASP  10           HA       ASP  10  -6.113   7.845   1.361
   81   1HB   ASP  10          1HB       ASP  10  -6.003   7.949   3.792
   82   2HB   ASP  10          2HB       ASP  10  -7.617   8.392   3.250
   83    H    GLY  11           H        GLY  11  -6.908   4.752   2.972
   84   1HA   GLY  11          1HA       GLY  11  -5.559   2.776   2.263
   85   2HA   GLY  11          2HA       GLY  11  -4.156   3.784   2.302
   86    H    LYS  12           H        LYS  12  -6.266   1.863   4.013
   87    HA   LYS  12           HA       LYS  12  -4.518   2.059   6.398
   88   1HB   LYS  12          1HB       LYS  12  -7.474   1.602   6.856
   89   2HB   LYS  12          2HB       LYS  12  -6.252   1.972   8.010
   90   1HG   LYS  12          1HG       LYS  12  -6.067   4.330   6.780
   91   2HG   LYS  12          2HG       LYS  12  -7.504   3.821   5.937
   92   1HD   LYS  12          1HD       LYS  12  -8.499   3.394   8.326
   93   2HD   LYS  12          2HD       LYS  12  -7.140   4.268   8.933
   94   1HE   LYS  12          1HE       LYS  12  -9.221   5.689   8.653
   95   2HE   LYS  12          2HE       LYS  12  -7.831   6.343   7.809
   96   1HZ   LYS  12          1HZ       LYS  12 -10.012   4.770   6.567
   97   2HZ   LYS  12          2HZ       LYS  12  -9.887   6.419   6.523
   98   3HZ   LYS  12          3HZ       LYS  12  -8.685   5.545   5.750
   99    H    ILE  13           H        ILE  13  -6.182   0.027   4.108
  100    HA   ILE  13           HA       ILE  13  -5.773  -2.392   5.688
  101    HB   ILE  13           HB       ILE  13  -6.312  -1.903   2.732
  102   1HG1  ILE  13          1HG1      ILE  13  -8.497  -3.089   4.466
  103   2HG1  ILE  13          2HG1      ILE  13  -8.137  -1.408   4.713
  104   1HG2  ILE  13          1HG2      ILE  13  -6.387  -4.570   4.204
  105   2HG2  ILE  13          2HG2      ILE  13  -7.056  -4.310   2.599
  106   3HG2  ILE  13          3HG2      ILE  13  -5.337  -4.116   2.857
  107   1HD1  ILE  13          1HD1      ILE  13  -8.465  -1.032   2.222
  108   2HD1  ILE  13          2HD1      ILE  13  -8.791  -2.732   2.056
  109   3HD1  ILE  13          3HD1      ILE  13  -9.889  -1.708   3.002
  110    H    SER  14           H        SER  14  -4.072  -3.914   5.303
  111    HA   SER  14           HA       SER  14  -1.782  -3.030   3.624
  112   1HB   SER  14          1HB       SER  14  -1.188  -2.033   5.706
  113   2HB   SER  14          2HB       SER  14  -1.761  -3.355   6.680
  114    HG   SER  14           HG       SER  14   0.008  -4.571   5.938
  115    H    LYS  15           H        LYS  15  -3.626  -5.191   3.154
  116    HA   LYS  15           HA       LYS  15  -1.698  -7.469   3.484
  117   1HB   LYS  15          1HB       LYS  15  -4.530  -7.271   4.303
  118   2HB   LYS  15          2HB       LYS  15  -4.278  -8.639   3.271
  119   1HG   LYS  15          1HG       LYS  15  -2.492  -8.069   5.682
  120   2HG   LYS  15          2HG       LYS  15  -3.946  -9.026   5.788
  121   1HD   LYS  15          1HD       LYS  15  -3.006 -10.546   3.960
  122   2HD   LYS  15          2HD       LYS  15  -1.499  -9.680   4.080
  123   1HE   LYS  15          1HE       LYS  15  -2.876 -11.214   6.353
  124   2HE   LYS  15          2HE       LYS  15  -1.461 -11.754   5.458
  125   1HZ   LYS  15          1HZ       LYS  15  -0.267  -9.820   6.315
  126   2HZ   LYS  15          2HZ       LYS  15  -1.567  -9.312   7.153
  127   3HZ   LYS  15          3HZ       LYS  15  -0.860 -10.782   7.581
  128    H    THR  16           H        THR  16  -0.896  -8.241   1.741
  129    HA   THR  16           HA       THR  16  -2.042  -7.427  -0.782
  130    HB   THR  16           HB       THR  16  -0.149  -8.211  -1.817
  131    HG1  THR  16           HG1      THR  16  -0.044 -10.100  -0.125
  132   1HG2  THR  16          1HG2      THR  16   0.118  -6.100  -0.510
  133   2HG2  THR  16          2HG2      THR  16   0.751  -7.025   0.856
  134   3HG2  THR  16          3HG2      THR  16   1.636  -6.952  -0.643
  135    H    MET  17           H        MET  17  -3.237  -8.514  -1.982
  136    HA   MET  17           HA       MET  17  -4.945 -10.426  -1.393
  137   1HB   MET  17          1HB       MET  17  -5.500 -10.424  -3.791
  138   2HB   MET  17          2HB       MET  17  -4.879  -8.868  -3.384
  139   1HG   MET  17          1HG       MET  17  -2.668  -9.437  -4.412
  140   2HG   MET  17          2HG       MET  17  -3.226 -11.051  -4.760
  141   1HE   MET  17          1HE       MET  17  -1.920  -9.210  -6.791
  142   2HE   MET  17          2HE       MET  17  -2.490 -10.825  -7.181
  143   3HE   MET  17          3HE       MET  17  -2.930  -9.458  -8.230
  144    H    SER  18           H        SER  18  -1.807 -11.125  -2.852
  145    HA   SER  18           HA       SER  18  -2.306 -14.048  -2.688
  146   1HB   SER  18          1HB       SER  18  -0.259 -13.832  -4.403
  147   2HB   SER  18          2HB       SER  18  -1.862 -13.320  -4.955
  148    HG   SER  18           HG       SER  18   0.007 -11.662  -5.106
  149    H    GLY  19           H        GLY  19   0.101 -11.572  -2.483
  150   1HA   GLY  19          1HA       GLY  19   2.233 -13.055  -1.483
  151   2HA   GLY  19          2HA       GLY  19   2.119 -11.311  -1.437
  152    H    LEU  20           H        LEU  20   1.955 -10.320   0.611
  153    HA   LEU  20           HA       LEU  20   1.607 -12.042   2.981
  154   1HB   LEU  20          1HB       LEU  20   3.993 -10.198   2.337
  155   2HB   LEU  20          2HB       LEU  20   3.911 -11.188   3.753
  156    HG   LEU  20           HG       LEU  20   4.058 -12.317   0.926
  157   1HD1  LEU  20          1HD1      LEU  20   6.075 -11.000   1.455
  158   2HD1  LEU  20          2HD1      LEU  20   6.354 -12.054   2.850
  159   3HD1  LEU  20          3HD1      LEU  20   6.355 -12.719   1.221
  160   1HD2  LEU  20          1HD2      LEU  20   3.084 -13.901   2.633
  161   2HD2  LEU  20          2HD2      LEU  20   4.640 -14.433   2.017
  162   3HD2  LEU  20          3HD2      LEU  20   4.533 -13.690   3.611
  163    H    GLU  21           H        GLU  21   2.579 -10.170   4.780
  164    HA   GLU  21           HA       GLU  21   0.522  -8.088   4.798
  165   1HB   GLU  21          1HB       GLU  21   1.284  -9.307   6.893
  166   2HB   GLU  21          2HB       GLU  21   2.904  -8.721   6.645
  167   1HG   GLU  21          1HG       GLU  21   1.883  -7.380   8.374
  168   2HG   GLU  21          2HG       GLU  21   2.075  -6.349   6.981
  169    H    CYS  22           H        CYS  22   0.981  -5.883   4.440
  170    HA   CYS  22           HA       CYS  22   3.292  -5.466   2.744
  171   1HB   CYS  22          1HB       CYS  22   1.062  -3.614   3.638
  172   2HB   CYS  22          2HB       CYS  22   2.484  -2.988   2.820
  173    H    GLN  23           H        GLN  23   4.795  -4.028   2.887
  174    HA   GLN  23           HA       GLN  23   6.089  -3.527   5.492
  175   1HB   GLN  23          1HB       GLN  23   7.331  -4.933   3.939
  176   2HB   GLN  23          2HB       GLN  23   6.990  -3.912   2.583
  177   1HG   GLN  23          1HG       GLN  23   8.526  -2.441   4.666
  178   2HG   GLN  23          2HG       GLN  23   9.323  -3.910   4.133
  179   1HE2  GLN  23          1HE2      GLN  23   8.722  -0.802   1.539
  180   2HE2  GLN  23          2HE2      GLN  23   7.864  -0.856   2.995
  181    H    ALA  24           H        ALA  24   6.567  -1.467   6.056
  182    HA   ALA  24           HA       ALA  24   4.806   0.469   5.071
  183   1HB   ALA  24          1HB       ALA  24   7.157   0.753   6.983
  184   2HB   ALA  24          2HB       ALA  24   5.941   2.010   6.738
  185   3HB   ALA  24          3HB       ALA  24   5.477   0.448   7.408
  186    H    TRP  25           H        TRP  25   5.091   2.576   4.180
  187    HA   TRP  25           HA       TRP  25   6.783   2.529   1.886
  188   1HB   TRP  25          1HB       TRP  25   5.192   4.858   3.109
  189   2HB   TRP  25          2HB       TRP  25   5.935   4.880   1.520
  190    HD1  TRP  25           HD1      TRP  25   2.792   3.713   3.304
  191    HE1  TRP  25           HE1      TRP  25   1.187   2.653   1.639
  192    HE3  TRP  25           HE3      TRP  25   5.909   3.415  -0.705
  193    HZ2  TRP  25           HZ2      TRP  25   1.235   1.824  -1.062
  194    HZ3  TRP  25           HZ3      TRP  25   5.064   2.502  -2.856
  195    HH2  TRP  25           HH2      TRP  25   2.720   1.706  -3.025
  196    H    ASP  26           H        ASP  26   7.787   3.069   5.024
  197    HA   ASP  26           HA       ASP  26   9.446   5.388   4.504
  198   1HB   ASP  26          1HB       ASP  26  10.189   4.895   6.936
  199   2HB   ASP  26          2HB       ASP  26   8.502   5.214   6.688
  200    H    SER  27           H        SER  27  11.558   3.803   6.259
  201    HA   SER  27           HA       SER  27  12.731   2.172   4.096
  202   1HB   SER  27          1HB       SER  27  13.737   4.510   4.003
  203   2HB   SER  27          2HB       SER  27  14.269   4.320   5.682
  204    HG   SER  27           HG       SER  27  15.957   3.701   4.189
  205    H    GLN  28           H        GLN  28  13.217   0.298   4.826
  206    HA   GLN  28           HA       GLN  28  13.832  -0.108   7.656
  207   1HB   GLN  28          1HB       GLN  28  11.826  -1.599   7.935
  208   2HB   GLN  28          2HB       GLN  28  11.484   0.080   7.730
  209   1HG   GLN  28          1HG       GLN  28  10.604  -2.185   6.008
  210   2HG   GLN  28          2HG       GLN  28   9.799  -0.727   6.472
  211   1HE2  GLN  28          1HE2      GLN  28  10.309   1.030   3.549
  212   2HE2  GLN  28          2HE2      GLN  28   9.569   0.943   5.084
  213    H    SER  29           H        SER  29  12.610  -2.194   5.093
  214    HA   SER  29           HA       SER  29  14.779  -3.467   4.148
  215   1HB   SER  29          1HB       SER  29  15.267  -4.279   6.465
  216   2HB   SER  29          2HB       SER  29  13.600  -4.850   6.635
  217    HG   SER  29           HG       SER  29  15.085  -6.576   6.057
  218    HA   PRO  30           HA       PRO  30  14.558  -6.160   3.108
  219   1HB   PRO  30          1HB       PRO  30  13.620  -5.843   0.266
  220   2HB   PRO  30          2HB       PRO  30  14.221  -7.276   1.075
  221   1HG   PRO  30          1HG       PRO  30  11.555  -6.968   0.665
  222   2HG   PRO  30          2HG       PRO  30  12.105  -7.556   2.235
  223   1HD   PRO  30          1HD       PRO  30  11.378  -4.714   1.472
  224   2HD   PRO  30          2HD       PRO  30  10.795  -5.619   2.877
  225    H    HIS  31           H        HIS  31  13.723  -3.045   1.598
  226    HA   HIS  31           HA       HIS  31  16.424  -2.214   1.714
  227   1HB   HIS  31          1HB       HIS  31  16.486  -3.749  -0.422
  228   2HB   HIS  31          2HB       HIS  31  15.332  -2.671  -1.162
  229    HD1  HIS  31           HD1      HIS  31  16.351  -0.213  -1.836
  230    HD2  HIS  31           HD2      HIS  31  19.079  -2.924  -0.110
  231    HE1  HIS  31           HE1      HIS  31  18.655   0.706  -2.212
  232    H    ALA  32           H        ALA  32  16.648  -0.012   0.894
  233    HA   ALA  32           HA       ALA  32  14.268   1.571   1.268
  234   1HB   ALA  32          1HB       ALA  32  16.558   2.444   1.812
  235   2HB   ALA  32          2HB       ALA  32  17.022   2.343   0.115
  236   3HB   ALA  32          3HB       ALA  32  15.782   3.487   0.625
  237    H    HIS  33           H        HIS  33  12.774   1.240  -0.114
  238    HA   HIS  33           HA       HIS  33  13.181   0.865  -3.014
  239   1HB   HIS  33          1HB       HIS  33  10.634   0.343  -2.887
  240   2HB   HIS  33          2HB       HIS  33  11.641  -0.673  -1.873
  241    HD1  HIS  33           HD1      HIS  33   9.766   2.644  -1.367
  242    HD2  HIS  33           HD2      HIS  33  10.982  -0.808   0.716
  243    HE1  HIS  33           HE1      HIS  33   8.910   2.860   0.962
  244    H    GLY  34           H        GLY  34  11.162   1.936  -4.253
  245   1HA   GLY  34          1HA       GLY  34  11.670   4.823  -4.110
  246   2HA   GLY  34          2HA       GLY  34  10.694   3.955  -5.320
  247    H    TYR  36           H        TYR  36   9.550   6.175  -4.580
  248    HA   TYR  36           HA       TYR  36   7.702   7.152  -3.718
  249   1HB   TYR  36          1HB       TYR  36   6.656   4.433  -2.794
  250   2HB   TYR  36          2HB       TYR  36   5.719   5.837  -3.225
  251    HD1  TYR  36           HD1      TYR  36   5.622   6.512  -5.731
  252    HD2  TYR  36           HD2      TYR  36   7.346   2.884  -4.340
  253    HE1  TYR  36           HE1      TYR  36   5.510   5.570  -8.013
  254    HE2  TYR  36           HE2      TYR  36   7.256   1.934  -6.566
  255    HH   TYR  36           HH       TYR  36   7.000   2.499  -8.867
  256    H    ILE  37           H        ILE  37   9.502   7.777  -2.312
  257    HA   ILE  37           HA       ILE  37   9.413   6.708   0.444
  258    HB   ILE  37           HB       ILE  37  11.369   8.517  -1.002
  259   1HG1  ILE  37          1HG1      ILE  37  11.799   5.670  -0.023
  260   2HG1  ILE  37          2HG1      ILE  37  11.332   6.056  -1.649
  261   1HG2  ILE  37          1HG2      ILE  37  11.492   7.470   1.870
  262   2HG2  ILE  37          2HG2      ILE  37  12.858   8.218   1.065
  263   3HG2  ILE  37          3HG2      ILE  37  11.415   9.155   1.373
  264   1HD1  ILE  37          1HD1      ILE  37  13.408   7.411  -1.983
  265   2HD1  ILE  37          2HD1      ILE  37  13.948   6.960  -0.353
  266   3HD1  ILE  37          3HD1      ILE  37  13.743   5.738  -1.586
  267    HA   PRO  38           HA       PRO  38   6.614  10.071   1.432
  268   1HB   PRO  38          1HB       PRO  38   7.869   9.798   4.178
  269   2HB   PRO  38          2HB       PRO  38   6.164   9.900   3.765
  270   1HG   PRO  38          1HG       PRO  38   7.432   7.514   4.361
  271   2HG   PRO  38          2HG       PRO  38   6.098   7.598   3.232
  272   1HD   PRO  38          1HD       PRO  38   8.980   7.176   2.625
  273   2HD   PRO  38          2HD       PRO  38   7.550   6.805   1.631
  274    H    SER  39           H        SER  39  10.089  10.367   2.284
  275    HA   SER  39           HA       SER  39   9.983  12.981   3.180
  276   1HB   SER  39          1HB       SER  39  12.404  12.005   1.650
  277   2HB   SER  39          2HB       SER  39  12.300  12.818   3.212
  278    HG   SER  39           HG       SER  39  12.679  10.597   3.641
  279    H    LYS  40           H        LYS  40   9.466  11.842  -0.009
  280    HA   LYS  40           HA       LYS  40  10.151  14.491  -1.221
  281   1HB   LYS  40          1HB       LYS  40   9.393  11.770  -2.459
  282   2HB   LYS  40          2HB       LYS  40   9.674  13.215  -3.382
  283   1HG   LYS  40          1HG       LYS  40  11.601  11.894  -3.575
  284   2HG   LYS  40          2HG       LYS  40  12.058  13.292  -2.618
  285   1HD   LYS  40          1HD       LYS  40  12.129  11.968  -0.590
  286   2HD   LYS  40          2HD       LYS  40  11.272  10.643  -1.340
  287   1HE   LYS  40          1HE       LYS  40  13.240  10.227  -2.850
  288   2HE   LYS  40          2HE       LYS  40  14.097  11.562  -2.096
  289   1HZ   LYS  40          1HZ       LYS  40  13.194   9.105  -0.723
  290   2HZ   LYS  40          2HZ       LYS  40  14.769   9.454  -1.236
  291   3HZ   LYS  40          3HZ       LYS  40  14.052  10.387  -0.019
  292    H    PHE  41           H        PHE  41   7.577  13.093   0.336
  293    HA   PHE  41           HA       PHE  41   5.591  14.385  -1.469
  294   1HB   PHE  41          1HB       PHE  41   5.273  11.899   0.260
  295   2HB   PHE  41          2HB       PHE  41   3.988  12.678  -0.621
  296    HD1  PHE  41           HD1      PHE  41   7.149  10.805  -1.007
  297    HD2  PHE  41           HD2      PHE  41   3.763  12.444  -3.009
  298    HE1  PHE  41           HE1      PHE  41   7.684   9.465  -2.986
  299    HE2  PHE  41           HE2      PHE  41   4.280  11.085  -4.991
  300    HZ   PHE  41           HZ       PHE  41   6.256   9.606  -5.004
  301    HA   PRO  42           HA       PRO  42   4.779  16.487   2.544
  302   1HB   PRO  42          1HB       PRO  42   3.596  18.739   1.434
  303   2HB   PRO  42          2HB       PRO  42   5.330  18.558   1.639
  304   1HG   PRO  42          1HG       PRO  42   3.734  18.101  -0.878
  305   2HG   PRO  42          2HG       PRO  42   5.258  18.966  -0.716
  306   1HD   PRO  42          1HD       PRO  42   5.086  16.353  -1.580
  307   2HD   PRO  42          2HD       PRO  42   6.496  16.915  -0.670
  308    H    ASN  43           H        ASN  43   3.153  15.111  -0.049
  309    HA   ASN  43           HA       ASN  43   0.442  15.540   0.909
  310   1HB   ASN  43          1HB       ASN  43   1.057  15.334  -1.546
  311   2HB   ASN  43          2HB       ASN  43   1.611  13.701  -1.270
  312   1HD2  ASN  43          1HD2      ASN  43  -1.521  12.534  -2.220
  313   2HD2  ASN  43          2HD2      ASN  43   0.202  12.543  -2.392
  314    H    LYS  44           H        LYS  44  -0.878  13.443   1.149
  315    HA   LYS  44           HA       LYS  44   0.490  11.819   3.223
  316   1HB   LYS  44          1HB       LYS  44  -1.853  11.320   3.968
  317   2HB   LYS  44          2HB       LYS  44  -1.479  13.011   4.019
  318   1HG   LYS  44          1HG       LYS  44  -2.832  11.888   1.543
  319   2HG   LYS  44          2HG       LYS  44  -3.775  12.107   2.982
  320   1HD   LYS  44          1HD       LYS  44  -3.458  14.480   3.038
  321   2HD   LYS  44          2HD       LYS  44  -2.150  14.442   1.917
  322   1HE   LYS  44          1HE       LYS  44  -4.006  13.370   0.260
  323   2HE   LYS  44          2HE       LYS  44  -5.104  14.228   1.333
  324   1HZ   LYS  44          1HZ       LYS  44  -3.778  16.241   0.876
  325   2HZ   LYS  44          2HZ       LYS  44  -2.820  15.311  -0.176
  326   3HZ   LYS  44          3HZ       LYS  44  -4.457  15.560  -0.528
  327    H    ASN  45           H        ASN  45   0.472  11.382   0.116
  328    HA   ASN  45           HA       ASN  45  -1.104   9.005  -0.162
  329   1HB   ASN  45          1HB       ASN  45  -0.004   8.568  -2.270
  330   2HB   ASN  45          2HB       ASN  45  -0.618  10.199  -2.177
  331   1HD2  ASN  45          1HD2      ASN  45   3.326   9.795  -2.888
  332   2HD2  ASN  45          2HD2      ASN  45   2.358   8.397  -2.847
  333    H    LEU  46           H        LEU  46   2.157   9.463   1.153
  334    HA   LEU  46           HA       LEU  46   2.197   6.468   1.380
  335   1HB   LEU  46          1HB       LEU  46   4.556   8.415   1.472
  336   2HB   LEU  46          2HB       LEU  46   4.602   6.737   1.906
  337    HG   LEU  46           HG       LEU  46   5.221   6.234  -0.096
  338   1HD1  LEU  46          1HD1      LEU  46   2.834   5.541  -0.444
  339   2HD1  LEU  46          2HD1      LEU  46   2.570   7.051  -1.305
  340   3HD1  LEU  46          3HD1      LEU  46   3.716   5.881  -1.912
  341   1HD2  LEU  46          1HD2      LEU  46   4.468   8.999  -1.038
  342   2HD2  LEU  46          2HD2      LEU  46   6.051   8.423  -0.522
  343   3HD2  LEU  46          3HD2      LEU  46   5.342   7.810  -2.009
  344    H    LYS  47           H        LYS  47   2.073   5.621   3.271
  345    HA   LYS  47           HA       LYS  47   2.418   7.344   5.614
  346   1HB   LYS  47          1HB       LYS  47  -0.120   7.026   4.773
  347   2HB   LYS  47          2HB       LYS  47  -0.029   5.500   5.515
  348   1HG   LYS  47          1HG       LYS  47  -0.484   6.609   7.506
  349   2HG   LYS  47          2HG       LYS  47   1.100   7.300   7.444
  350   1HD   LYS  47          1HD       LYS  47  -1.527   8.489   6.498
  351   2HD   LYS  47          2HD       LYS  47  -0.458   9.106   7.712
  352   1HE   LYS  47          1HE       LYS  47  -0.079   9.241   4.669
  353   2HE   LYS  47          2HE       LYS  47  -0.369  10.546   5.782
  354   1HZ   LYS  47          1HZ       LYS  47   1.907   9.860   6.744
  355   2HZ   LYS  47          2HZ       LYS  47   2.089   9.117   5.210
  356   3HZ   LYS  47          3HZ       LYS  47   1.795  10.745   5.299
  357    H    LYS  48           H        LYS  48   1.184   4.581   6.901
  358    HA   LYS  48           HA       LYS  48   3.905   3.535   7.216
  359   1HB   LYS  48          1HB       LYS  48   1.307   2.433   8.407
  360   2HB   LYS  48          2HB       LYS  48   2.903   1.847   8.756
  361   1HG   LYS  48          1HG       LYS  48   1.786   4.575   9.468
  362   2HG   LYS  48          2HG       LYS  48   2.283   3.309  10.550
  363   1HD   LYS  48          1HD       LYS  48   4.076   5.055   8.804
  364   2HD   LYS  48          2HD       LYS  48   3.958   5.093  10.534
  365   1HE   LYS  48          1HE       LYS  48   5.049   2.878  10.738
  366   2HE   LYS  48          2HE       LYS  48   5.015   2.649   9.001
  367   1HZ   LYS  48          1HZ       LYS  48   6.485   4.531   8.739
  368   2HZ   LYS  48          2HZ       LYS  48   6.622   4.675  10.428
  369   3HZ   LYS  48          3HZ       LYS  48   7.157   3.310   9.560
  370    H    ASN  49           H        ASN  49   1.718   0.866   7.112
  371    HA   ASN  49           HA       ASN  49   2.921   0.127   4.471
  372   1HB   ASN  49          1HB       ASN  49   2.625  -2.209   5.325
  373   2HB   ASN  49          2HB       ASN  49   3.701  -1.273   6.354
  374   1HD2  ASN  49          1HD2      ASN  49   1.363  -3.346   8.400
  375   2HD2  ASN  49          2HD2      ASN  49   2.355  -3.666   7.034
  376    H    TYR  50           H        TYR  50   0.483   1.681   5.100
  377    HA   TYR  50           HA       TYR  50  -1.581  -0.157   4.255
  378   1HB   TYR  50          1HB       TYR  50  -1.781   2.869   4.389
  379   2HB   TYR  50          2HB       TYR  50  -3.060   1.673   4.496
  380    HD1  TYR  50           HD1      TYR  50  -2.259  -0.222   6.478
  381    HD2  TYR  50           HD2      TYR  50  -1.534   3.989   6.404
  382    HE1  TYR  50           HE1      TYR  50  -2.077  -0.239   8.885
  383    HE2  TYR  50           HE2      TYR  50  -1.344   3.985   8.860
  384    HH   TYR  50           HH       TYR  50  -1.218   1.092  10.753
  385    H    CYS  51           H        CYS  51  -2.450  -0.436   2.362
  386    HA   CYS  51           HA       CYS  51  -1.160  -0.065  -0.021
  387   1HB   CYS  51          1HB       CYS  51  -4.188  -0.347   0.409
  388   2HB   CYS  51          2HB       CYS  51  -3.298  -0.946  -0.972
  389    H    ARG  52           H        ARG  52  -1.266   1.302  -1.749
  390    HA   ARG  52           HA       ARG  52  -3.251   3.454  -1.929
  391   1HB   ARG  52          1HB       ARG  52  -0.284   3.917  -1.328
  392   2HB   ARG  52          2HB       ARG  52  -0.992   4.954  -2.521
  393   1HG   ARG  52          1HG       ARG  52  -1.467   6.273  -0.892
  394   2HG   ARG  52          2HG       ARG  52  -2.941   5.398  -0.872
  395   1HD   ARG  52          1HD       ARG  52  -2.493   4.324   1.109
  396   2HD   ARG  52          2HD       ARG  52  -0.707   4.365   0.915
  397    HE   ARG  52           HE       ARG  52  -1.170   6.911   1.005
  398   1HH1  ARG  52          1HH1      ARG  52  -2.133   4.303   3.025
  399   2HH1  ARG  52          2HH1      ARG  52  -2.884   5.141   4.320
  400   1HH2  ARG  52          1HH2      ARG  52  -1.871   8.293   2.841
  401   2HH2  ARG  52          2HH2      ARG  52  -2.632   7.584   4.224
  402    H    ASN  53           H        ASN  53  -2.186   4.869  -3.950
  403    HA   ASN  53           HA       ASN  53  -1.979   2.912  -6.173
  404   1HB   ASN  53          1HB       ASN  53  -3.832   5.379  -5.847
  405   2HB   ASN  53          2HB       ASN  53  -3.734   4.491  -7.339
  406   1HD2  ASN  53          1HD2      ASN  53  -5.502   1.659  -6.405
  407   2HD2  ASN  53          2HD2      ASN  53  -4.325   2.252  -7.422
  408    HA   PRO  54           HA       PRO  54   0.866   6.761  -6.299
  409   1HB   PRO  54          1HB       PRO  54   3.006   4.758  -6.942
  410   2HB   PRO  54          2HB       PRO  54   3.082   6.160  -5.897
  411   1HG   PRO  54          1HG       PRO  54   2.923   3.622  -4.856
  412   2HG   PRO  54          2HG       PRO  54   2.221   5.017  -4.062
  413   1HD   PRO  54          1HD       PRO  54   0.753   2.877  -5.570
  414   2HD   PRO  54          2HD       PRO  54   0.264   3.872  -4.198
  415    H    ASP  55           H        ASP  55   1.129   3.805  -8.312
  416    HA   ASP  55           HA       ASP  55   1.252   5.446 -10.759
  417   1HB   ASP  55          1HB       ASP  55   1.984   3.303 -11.810
  418   2HB   ASP  55          2HB       ASP  55   2.995   3.710 -10.437
  419    H    ARG  56           H        ARG  56  -1.057   4.389  -8.849
  420    HA   ARG  56           HA       ARG  56  -3.055   3.415  -8.950
  421   1HB   ARG  56          1HB       ARG  56  -4.672   4.888 -10.114
  422   2HB   ARG  56          2HB       ARG  56  -3.600   5.661  -9.046
  423   1HG   ARG  56          1HG       ARG  56  -2.721   5.607 -11.940
  424   2HG   ARG  56          2HG       ARG  56  -4.040   6.653 -11.500
  425   1HD   ARG  56          1HD       ARG  56  -1.291   6.755 -10.143
  426   2HD   ARG  56          2HD       ARG  56  -1.909   7.924 -11.325
  427    HE   ARG  56           HE       ARG  56  -3.886   7.974  -9.520
  428   1HH1  ARG  56          1HH1      ARG  56  -0.380   7.985  -8.842
  429   2HH1  ARG  56          2HH1      ARG  56  -0.571   9.015  -7.485
  430   1HH2  ARG  56          1HH2      ARG  56  -4.105   9.037  -7.735
  431   2HH2  ARG  56          2HH2      ARG  56  -2.799   9.546  -6.711
  432    H    GLU  57           H        GLU  57  -2.529   1.588  -9.498
  433    HA   GLU  57           HA       GLU  57  -2.646   0.373 -12.072
  434   1HB   GLU  57          1HB       GLU  57  -1.819  -1.514 -10.766
  435   2HB   GLU  57          2HB       GLU  57  -1.184  -0.096  -9.987
  436   1HG   GLU  57          1HG       GLU  57  -3.393  -1.903  -8.960
  437   2HG   GLU  57          2HG       GLU  57  -1.890  -1.541  -8.230
  438    H    LEU  58           H        LEU  58  -3.807  -2.037 -11.024
  439    HA   LEU  58           HA       LEU  58  -6.579  -1.634 -11.702
  440   1HB   LEU  58          1HB       LEU  58  -5.142  -3.590 -12.346
  441   2HB   LEU  58          2HB       LEU  58  -5.176  -4.194 -10.725
  442    HG   LEU  58           HG       LEU  58  -7.687  -3.656 -12.376
  443   1HD1  LEU  58          1HD1      LEU  58  -6.261  -5.245 -13.616
  444   2HD1  LEU  58          2HD1      LEU  58  -6.145  -6.280 -12.194
  445   3HD1  LEU  58          3HD1      LEU  58  -7.696  -6.052 -13.000
  446   1HD2  LEU  58          1HD2      LEU  58  -7.249  -5.420  -9.914
  447   2HD2  LEU  58          2HD2      LEU  58  -8.241  -3.960  -9.989
  448   3HD2  LEU  58          3HD2      LEU  58  -8.729  -5.390 -10.864
  449    H    ARG  59           H        ARG  59  -5.072  -3.211  -8.851
  450    HA   ARG  59           HA       ARG  59  -7.169  -2.100  -7.111
  451   1HB   ARG  59          1HB       ARG  59  -7.265  -4.604  -7.744
  452   2HB   ARG  59          2HB       ARG  59  -5.817  -4.865  -6.832
  453   1HG   ARG  59          1HG       ARG  59  -7.033  -4.187  -4.747
  454   2HG   ARG  59          2HG       ARG  59  -8.460  -3.845  -5.714
  455   1HD   ARG  59          1HD       ARG  59  -8.329  -6.350  -6.496
  456   2HD   ARG  59          2HD       ARG  59  -7.132  -6.547  -5.198
  457    HE   ARG  59           HE       ARG  59  -9.587  -5.213  -4.461
  458   1HH1  ARG  59          1HH1      ARG  59  -8.050  -8.364  -4.957
  459   2HH1  ARG  59          2HH1      ARG  59  -8.776  -9.118  -3.574
  460   1HH2  ARG  59          1HH2      ARG  59 -10.822  -6.386  -2.740
  461   2HH2  ARG  59          2HH2      ARG  59 -10.328  -7.982  -2.316
  462    HA   PRO  61           HA       PRO  61  -3.796   0.073  -5.370
  463   1HB   PRO  61          1HB       PRO  61  -4.495   0.274  -2.627
  464   2HB   PRO  61          2HB       PRO  61  -5.189   1.221  -3.934
  465   1HG   PRO  61          1HG       PRO  61  -6.210  -1.307  -2.705
  466   2HG   PRO  61          2HG       PRO  61  -7.134   0.172  -3.032
  467   1HD   PRO  61          1HD       PRO  61  -7.249  -2.033  -4.658
  468   2HD   PRO  61          2HD       PRO  61  -7.240  -0.449  -5.408
  469    H    TRP  62           H        TRP  62  -1.756  -0.196  -4.456
  470    HA   TRP  62           HA       TRP  62  -1.290  -2.870  -3.166
  471   1HB   TRP  62          1HB       TRP  62   0.729  -3.160  -4.593
  472   2HB   TRP  62          2HB       TRP  62  -0.653  -2.857  -5.613
  473    HD1  TRP  62           HD1      TRP  62  -0.818  -0.431  -6.858
  474    HE1  TRP  62           HE1      TRP  62   0.957   1.283  -7.412
  475    HE3  TRP  62           HE3      TRP  62   2.876  -2.121  -3.818
  476    HZ2  TRP  62           HZ2      TRP  62   3.587   1.913  -6.555
  477    HZ3  TRP  62           HZ3      TRP  62   5.019  -0.897  -3.646
  478    HH2  TRP  62           HH2      TRP  62   5.377   1.128  -5.011
  479    H    CYS  63           H        CYS  63   0.972  -3.085  -2.354
  480    HA   CYS  63           HA       CYS  63   2.435  -0.770  -1.548
  481   1HB   CYS  63          1HB       CYS  63   2.340  -1.464   0.989
  482   2HB   CYS  63          2HB       CYS  63   1.066  -0.482   0.338
  483    H    PHE  64           H        PHE  64   4.388  -1.496  -0.256
  484    HA   PHE  64           HA       PHE  64   5.526  -3.689  -1.783
  485   1HB   PHE  64          1HB       PHE  64   6.649  -1.975   0.510
  486   2HB   PHE  64          2HB       PHE  64   7.593  -3.183  -0.337
  487    HD1  PHE  64           HD1      PHE  64   7.648  -3.037  -2.939
  488    HD2  PHE  64           HD2      PHE  64   6.725   0.257  -0.371
  489    HE1  PHE  64           HE1      PHE  64   8.272  -1.454  -4.732
  490    HE2  PHE  64           HE2      PHE  64   7.395   1.820  -2.160
  491    HZ   PHE  64           HZ       PHE  64   8.191   0.932  -4.338
  492    H    THR  65           H        THR  65   6.597  -5.583  -0.725
  493    HA   THR  65           HA       THR  65   5.027  -6.405   1.693
  494    HB   THR  65           HB       THR  65   4.874  -8.540   0.999
  495    HG1  THR  65           HG1      THR  65   7.102  -8.395  -0.688
  496   1HG2  THR  65          1HG2      THR  65   3.711  -7.216  -0.729
  497   2HG2  THR  65          2HG2      THR  65   5.108  -7.269  -1.775
  498   3HG2  THR  65          3HG2      THR  65   4.271  -8.761  -1.357
  499    H    THR  66           H        THR  66   6.268  -8.172   3.000
  500    HA   THR  66           HA       THR  66   8.734  -6.885   3.784
  501    HB   THR  66           HB       THR  66   8.573  -8.744   5.569
  502    HG1  THR  66           HG1      THR  66   7.350 -10.229   4.264
  503   1HG2  THR  66          1HG2      THR  66   7.511  -6.508   5.943
  504   2HG2  THR  66          2HG2      THR  66   6.035  -7.069   5.160
  505   3HG2  THR  66          3HG2      THR  66   6.568  -7.811   6.660
  506    H    ASP  67           H        ASP  67   7.950  -9.263   1.433
  507    HA   ASP  67           HA       ASP  67  10.366 -10.849   1.921
  508   1HB   ASP  67          1HB       ASP  67   8.418 -12.080   1.337
  509   2HB   ASP  67          2HB       ASP  67   8.146 -11.121  -0.122
  510    HA   PRO  68           HA       PRO  68  12.757  -8.193  -0.843
  511   1HB   PRO  68          1HB       PRO  68  14.540 -10.614  -1.083
  512   2HB   PRO  68          2HB       PRO  68  14.979  -8.973  -0.646
  513   1HG   PRO  68          1HG       PRO  68  14.803 -11.010   1.203
  514   2HG   PRO  68          2HG       PRO  68  14.385  -9.360   1.627
  515   1HD   PRO  68          1HD       PRO  68  12.511 -11.636   1.068
  516   2HD   PRO  68          2HD       PRO  68  12.340 -10.251   2.169
  517    H    ASN  69           H        ASN  69  11.213 -11.084  -1.828
  518    HA   ASN  69           HA       ASN  69  12.247 -10.804  -4.608
  519   1HB   ASN  69          1HB       ASN  69  10.442 -13.083  -3.623
  520   2HB   ASN  69          2HB       ASN  69  11.360 -13.002  -5.081
  521   1HD2  ASN  69          1HD2      ASN  69  13.014 -14.259  -1.578
  522   2HD2  ASN  69          2HD2      ASN  69  11.409 -13.660  -1.628
  523    H    LYS  70           H        LYS  70   9.284 -11.046  -2.650
  524    HA   LYS  70           HA       LYS  70   7.674 -10.118  -4.923
  525   1HB   LYS  70          1HB       LYS  70   6.895 -11.862  -3.111
  526   2HB   LYS  70          2HB       LYS  70   6.755 -10.553  -2.032
  527   1HG   LYS  70          1HG       LYS  70   4.577 -10.809  -2.907
  528   2HG   LYS  70          2HG       LYS  70   5.156  -9.401  -3.745
  529   1HD   LYS  70          1HD       LYS  70   5.706 -12.018  -5.117
  530   2HD   LYS  70          2HD       LYS  70   4.024 -11.692  -4.902
  531   1HE   LYS  70          1HE       LYS  70   5.902  -9.691  -6.274
  532   2HE   LYS  70          2HE       LYS  70   5.016 -10.948  -7.121
  533   1HZ   LYS  70          1HZ       LYS  70   2.949  -9.974  -6.256
  534   2HZ   LYS  70          2HZ       LYS  70   3.862  -8.701  -5.613
  535   3HZ   LYS  70          3HZ       LYS  70   3.814  -8.937  -7.263
  536    H    ARG  71           H        ARG  71   9.019  -8.233  -5.027
  537    HA   ARG  71           HA       ARG  71   9.379  -6.259  -3.118
  538   1HB   ARG  71          1HB       ARG  71  10.454  -6.089  -5.260
  539   2HB   ARG  71          2HB       ARG  71   8.961  -6.102  -6.140
  540   1HG   ARG  71          1HG       ARG  71   8.433  -3.804  -5.440
  541   2HG   ARG  71          2HG       ARG  71   9.814  -3.753  -4.375
  542   1HD   ARG  71          1HD       ARG  71  11.376  -3.702  -6.177
  543   2HD   ARG  71          2HD       ARG  71  10.211  -4.344  -7.349
  544    HE   ARG  71           HE       ARG  71   9.002  -2.035  -6.794
  545   1HH1  ARG  71          1HH1      ARG  71  12.364  -2.758  -7.522
  546   2HH1  ARG  71          2HH1      ARG  71  12.638  -1.305  -8.404
  547   1HH2  ARG  71          1HH2      ARG  71   9.305  -0.158  -7.976
  548   2HH2  ARG  71          2HH2      ARG  71  10.844   0.267  -8.610
  549    H    TRP  72           H        TRP  72   6.851  -5.968  -5.585
  550    HA   TRP  72           HA       TRP  72   5.099  -4.583  -3.618
  551   1HB   TRP  72          1HB       TRP  72   4.040  -3.529  -5.589
  552   2HB   TRP  72          2HB       TRP  72   5.737  -3.161  -5.581
  553    HD1  TRP  72           HD1      TRP  72   7.368  -4.585  -7.388
  554    HE1  TRP  72           HE1      TRP  72   6.762  -5.317  -9.741
  555    HE3  TRP  72           HE3      TRP  72   2.311  -4.492  -6.950
  556    HZ2  TRP  72           HZ2      TRP  72   4.388  -5.747 -11.258
  557    HZ3  TRP  72           HZ3      TRP  72   0.885  -5.035  -8.908
  558    HH2  TRP  72           HH2      TRP  72   1.918  -5.570 -11.058
  559    H    GLU  73           H        GLU  73   2.792  -5.021  -3.685
  560    HA   GLU  73           HA       GLU  73   1.913  -6.999  -5.504
  561   1HB   GLU  73          1HB       GLU  73   2.946  -8.500  -3.610
  562   2HB   GLU  73          2HB       GLU  73   1.837  -7.783  -2.533
  563   1HG   GLU  73          1HG       GLU  73   0.912  -9.934  -3.223
  564   2HG   GLU  73          2HG       GLU  73  -0.113  -8.740  -3.943
  565    H    LEU  74           H        LEU  74  -0.256  -7.197  -5.640
  566    HA   LEU  74           HA       LEU  74  -1.596  -4.731  -4.910
  567   1HB   LEU  74          1HB       LEU  74  -2.957  -7.226  -6.021
  568   2HB   LEU  74          2HB       LEU  74  -3.578  -5.605  -6.035
  569    HG   LEU  74           HG       LEU  74  -1.242  -6.677  -7.675
  570   1HD1  LEU  74          1HD1      LEU  74  -3.543  -7.150  -8.520
  571   2HD1  LEU  74          2HD1      LEU  74  -3.902  -5.425  -8.504
  572   3HD1  LEU  74          3HD1      LEU  74  -2.668  -6.060  -9.591
  573   1HD2  LEU  74          1HD2      LEU  74  -2.073  -3.773  -7.290
  574   2HD2  LEU  74          2HD2      LEU  74  -0.478  -4.480  -7.080
  575   3HD2  LEU  74          3HD2      LEU  74  -1.175  -4.317  -8.686
  576    H    CYS  75           H        CYS  75  -3.135  -4.337  -3.462
  577    HA   CYS  75           HA       CYS  75  -3.370  -6.114  -1.169
  578   1HB   CYS  75          1HB       CYS  75  -4.421  -3.308  -1.621
  579   2HB   CYS  75          2HB       CYS  75  -4.573  -4.209  -0.138
  580    H    ASP  76           H        ASP  76  -5.287  -6.743  -0.195
  581    HA   ASP  76           HA       ASP  76  -7.430  -7.083  -2.211
  582   1HB   ASP  76          1HB       ASP  76  -6.543  -9.111  -0.922
  583   2HB   ASP  76          2HB       ASP  76  -7.354  -8.505   0.497
  584    H    ILE  77           H        ILE  77  -8.456  -5.233  -2.234
  585    HA   ILE  77           HA       ILE  77  -9.190  -3.962   0.313
  586    HB   ILE  77           HB       ILE  77  -8.767  -2.988  -2.465
  587   1HG1  ILE  77          1HG1      ILE  77  -7.839  -1.041  -1.401
  588   2HG1  ILE  77          2HG1      ILE  77  -8.463  -1.396   0.125
  589   1HG2  ILE  77          1HG2      ILE  77 -10.876  -1.630  -0.764
  590   2HG2  ILE  77          2HG2      ILE  77 -10.066  -0.889  -2.135
  591   3HG2  ILE  77          3HG2      ILE  77 -11.097  -2.296  -2.375
  592   1HD1  ILE  77          1HD1      ILE  77  -6.501  -3.230  -1.305
  593   2HD1  ILE  77          2HD1      ILE  77  -6.002  -1.982  -0.149
  594   3HD1  ILE  77          3HD1      ILE  77  -6.967  -3.352   0.391
  595    HA   PRO  78           HA       PRO  78 -13.355  -5.474  -0.043
  596   1HB   PRO  78          1HB       PRO  78 -14.534  -3.913   1.928
  597   2HB   PRO  78          2HB       PRO  78 -13.415  -5.223   2.264
  598   1HG   PRO  78          1HG       PRO  78 -12.824  -2.270   2.196
  599   2HG   PRO  78          2HG       PRO  78 -12.185  -3.436   3.364
  600   1HD   PRO  78          1HD       PRO  78 -10.798  -2.537   1.168
  601   2HD   PRO  78          2HD       PRO  78 -10.520  -4.126   1.927
  602    H    ARG  79           H        ARG  79 -14.805  -5.062  -1.501
  603    HA   ARG  79           HA       ARG  79 -14.964  -2.434  -2.717
  604   1HB   ARG  79          1HB       ARG  79 -15.215  -4.338  -4.171
  605   2HB   ARG  79          2HB       ARG  79 -16.475  -5.042  -3.195
  606   1HG   ARG  79          1HG       ARG  79 -18.099  -3.392  -3.870
  607   2HG   ARG  79          2HG       ARG  79 -16.889  -2.356  -4.585
  608   1HD   ARG  79          1HD       ARG  79 -17.394  -5.179  -5.648
  609   2HD   ARG  79          2HD       ARG  79 -18.290  -3.757  -6.234
  610    HE   ARG  79           HE       ARG  79 -15.712  -2.929  -6.415
  611   1HH1  ARG  79          1HH1      ARG  79 -17.453  -5.738  -7.612
  612   2HH1  ARG  79          2HH1      ARG  79 -16.543  -5.881  -9.067
  613   1HH2  ARG  79          1HH2      ARG  79 -14.564  -3.035  -8.257
  614   2HH2  ARG  79          2HH2      ARG  79 -14.762  -4.279  -9.451
  615    H    CYS  80           H        CYS  80 -16.802  -1.042  -2.703
  616    HA   CYS  80           HA       CYS  80 -18.303  -1.035  -0.195
  617   1HB   CYS  80          1HB       CYS  80 -18.769   0.591  -2.748
  618   2HB   CYS  80          2HB       CYS  80 -19.575   0.873  -1.225
  619    H    THR  81           H        THR  81 -19.178  -3.212  -0.364
  620    HA   THR  81           HA       THR  81 -21.363  -3.572  -2.299
  621    HB   THR  81           HB       THR  81 -21.418  -5.874  -1.121
  622    HG1  THR  81           HG1      THR  81 -20.453  -4.937   0.847
  623   1HG2  THR  81          1HG2      THR  81 -19.982  -5.528  -3.158
  624   2HG2  THR  81          2HG2      THR  81 -18.644  -5.046  -2.114
  625   3HG2  THR  81          3HG2      THR  81 -19.279  -6.682  -2.025
  626    H1   AMH  84           H1       AMH  84   6.379  -1.543  -9.696
  627   1H2   AMH  84          1H2       AMH  84   5.957   0.770 -10.614
  628   2H2   AMH  84          2H2       AMH  84   4.944   1.100  -9.185
  629   1H3   AMH  84          1H3       AMH  84   3.641   0.435 -11.261
  630   2H3   AMH  84          2H3       AMH  84   4.404  -1.140 -11.165
  631    H4   AMH  84           H4       AMH  84   2.690   0.107  -8.957
  632   1H5   AMH  84          1H5       AMH  84   3.082  -2.089  -7.827
  633   2H5   AMH  84          2H5       AMH  84   3.950  -2.630  -9.264
  634   1H6   AMH  84          1H6       AMH  84   5.522  -2.098  -7.495
  635   2H6   AMH  84          2H6       AMH  84   4.844  -0.523  -7.301
  636   1H7   AMH  84          1H7       AMH  84   1.454  -0.705 -11.004
  637   2H7   AMH  84          2H7       AMH  84   2.194  -2.315 -10.780
  638   1HN   AMH  84          1HN       AMH  84   0.374  -0.936  -8.943
  639   2HN   AMH  84          2HN       AMH  84   0.094  -2.293  -9.807
  640   3HN   AMH  84          3HN       AMH  84   1.162  -2.321  -8.585
  Start of MODEL   20
    1   1H    THR  -4          1H        THR  -4  -7.295   8.656   5.919
    2   2H    THR  -4          2H        THR  -4  -7.042   9.603   4.592
    3   3H    THR  -4          3H        THR  -4  -7.595  10.286   6.000
    4    HA   THR  -4           HA       THR  -4  -9.469  10.226   4.942
    5    HB   THR  -4           HB       THR  -4  -8.640   7.634   3.530
    6    HG1  THR  -4           HG1      THR  -4  -7.287   8.941   2.262
    7   1HG2  THR  -4          1HG2      THR  -4 -10.145  10.114   2.515
    8   2HG2  THR  -4          2HG2      THR  -4  -9.807   8.658   1.583
    9   3HG2  THR  -4          3HG2      THR  -4 -10.895   8.578   2.955
   10    H    SER  -3           H        SER  -3  -8.261   6.927   5.530
   11    HA   SER  -3           HA       SER  -3  -8.758   5.353   6.888
   12   1HB   SER  -3          1HB       SER  -3  -8.932   7.160   8.652
   13   2HB   SER  -3          2HB       SER  -3 -10.670   7.150   8.468
   14    HG   SER  -3           HG       SER  -3 -10.589   4.885   8.983
   15    H    GLU  -2           H        GLU  -2 -10.552   6.150   4.533
   16    HA   GLU  -2           HA       GLU  -2 -13.070   4.946   4.948
   17   1HB   GLU  -2          1HB       GLU  -2 -13.016   4.711   2.401
   18   2HB   GLU  -2          2HB       GLU  -2 -12.647   6.314   2.975
   19   1HG   GLU  -2          1HG       GLU  -2 -10.166   5.825   2.706
   20   2HG   GLU  -2          2HG       GLU  -2 -10.591   4.245   2.069
   21    H    GLU  -1           H        GLU  -1 -13.724   2.829   4.919
   22    HA   GLU  -1           HA       GLU  -1 -11.527   0.855   5.076
   23   1HB   GLU  -1          1HB       GLU  -1 -12.895  -0.455   6.523
   24   2HB   GLU  -1          2HB       GLU  -1 -12.862   1.175   7.116
   25   1HG   GLU  -1          1HG       GLU  -1 -15.224  -0.142   5.658
   26   2HG   GLU  -1          2HG       GLU  -1 -15.097   0.166   7.362
   27    H    CYS   1           H        CYS   1 -14.868   1.052   3.748
   28    HA   CYS   1           HA       CYS   1 -14.057  -1.256   2.063
   29   1HB   CYS   1          1HB       CYS   1 -16.216  -1.998   1.868
   30   2HB   CYS   1          2HB       CYS   1 -16.196  -1.419   3.492
   31    H    MET   2           H        MET   2 -13.919  -1.209  -0.032
   32    HA   MET   2           HA       MET   2 -14.871   1.127  -1.610
   33   1HB   MET   2          1HB       MET   2 -12.000   0.042  -1.399
   34   2HB   MET   2          2HB       MET   2 -12.552   0.647  -2.943
   35   1HG   MET   2          1HG       MET   2 -11.257   2.250  -1.636
   36   2HG   MET   2          2HG       MET   2 -12.733   2.877  -2.300
   37   1HE   MET   2          1HE       MET   2 -10.701   1.705   0.566
   38   2HE   MET   2          2HE       MET   2 -11.615   2.042   2.045
   39   3HE   MET   2          3HE       MET   2 -12.039   0.661   1.017
   40    H    HIS   3           H        HIS   3 -15.058   0.666  -3.790
   41    HA   HIS   3           HA       HIS   3 -16.031  -1.909  -4.435
   42   1HB   HIS   3          1HB       HIS   3 -14.804   0.171  -6.361
   43   2HB   HIS   3          2HB       HIS   3 -15.842  -1.155  -6.841
   44    HD1  HIS   3           HD1      HIS   3 -18.107  -0.923  -4.723
   45    HD2  HIS   3           HD2      HIS   3 -16.330   2.360  -6.652
   46    HE1  HIS   3           HE1      HIS   3 -19.747   1.009  -4.593
   47    H    GLY   4           H        GLY   4 -12.959  -0.355  -5.066
   48   1HA   GLY   4          1HA       GLY   4 -11.293  -2.381  -4.193
   49   2HA   GLY   4          2HA       GLY   4 -11.625  -2.833  -5.882
   50    H    SER   5           H        SER   5 -11.478   0.684  -5.221
   51    HA   SER   5           HA       SER   5  -9.064   0.781  -6.849
   52   1HB   SER   5          1HB       SER   5  -9.878   3.288  -6.766
   53   2HB   SER   5          2HB       SER   5 -10.899   2.112  -7.607
   54    HG   SER   5           HG       SER   5 -12.139   3.356  -6.044
   55    H    GLY   6           H        GLY   6 -10.391   2.558  -4.126
   56   1HA   GLY   6          1HA       GLY   6  -9.450   3.231  -2.078
   57   2HA   GLY   6          2HA       GLY   6  -8.147   2.059  -2.357
   58    H    GLU   7           H        GLU   7  -9.122   4.757  -4.367
   59    HA   GLU   7           HA       GLU   7  -6.661   5.758  -5.050
   60   1HB   GLU   7          1HB       GLU   7  -8.734   6.564  -6.058
   61   2HB   GLU   7          2HB       GLU   7  -9.264   7.278  -4.561
   62   1HG   GLU   7          1HG       GLU   7  -8.508   9.015  -6.124
   63   2HG   GLU   7          2HG       GLU   7  -7.503   9.017  -4.699
   64    H    ASN   8           H        ASN   8  -8.518   6.754  -2.167
   65    HA   ASN   8           HA       ASN   8  -5.959   7.820  -1.043
   66   1HB   ASN   8          1HB       ASN   8  -7.611   9.616  -1.775
   67   2HB   ASN   8          2HB       ASN   8  -8.759   9.003  -0.599
   68   1HD2  ASN   8          1HD2      ASN   8  -7.288  11.707   1.207
   69   2HD2  ASN   8          2HD2      ASN   8  -8.483  11.368   0.006
   70    H    TYR   9           H        TYR   9  -7.240   5.192  -0.889
   71    HA   TYR   9           HA       TYR   9  -8.571   4.867   1.566
   72   1HB   TYR   9          1HB       TYR   9  -8.873   3.046   0.096
   73   2HB   TYR   9          2HB       TYR   9  -7.195   3.055  -0.422
   74    HD1  TYR   9           HD1      TYR   9  -9.455   2.032   2.314
   75    HD2  TYR   9           HD2      TYR   9  -5.540   1.795   0.646
   76    HE1  TYR   9           HE1      TYR   9  -8.855   0.410   4.009
   77    HE2  TYR   9           HE2      TYR   9  -4.864   0.285   2.402
   78    HH   TYR   9           HH       TYR   9  -5.513  -0.792   4.390
   79    H    ASP  10           H        ASP  10  -7.990   4.726   3.630
   80    HA   ASP  10           HA       ASP  10  -5.456   3.546   4.277
   81   1HB   ASP  10          1HB       ASP  10  -4.534   5.290   5.794
   82   2HB   ASP  10          2HB       ASP  10  -4.341   5.553   4.093
   83    H    GLY  11           H        GLY  11  -7.734   2.598   4.504
   84   1HA   GLY  11          1HA       GLY  11  -8.967   2.816   7.098
   85   2HA   GLY  11          2HA       GLY  11  -9.314   1.630   5.852
   86    H    LYS  12           H        LYS  12  -6.101   2.018   7.005
   87    HA   LYS  12           HA       LYS  12  -4.715   0.908   8.401
   88   1HB   LYS  12          1HB       LYS  12  -7.008  -0.462   9.803
   89   2HB   LYS  12          2HB       LYS  12  -5.445  -0.069  10.437
   90   1HG   LYS  12          1HG       LYS  12  -7.740   1.809   9.752
   91   2HG   LYS  12          2HG       LYS  12  -7.123   1.470  11.329
   92   1HD   LYS  12          1HD       LYS  12  -5.071   2.711  10.958
   93   2HD   LYS  12          2HD       LYS  12  -5.368   2.878   9.253
   94   1HE   LYS  12          1HE       LYS  12  -7.150   4.153  11.393
   95   2HE   LYS  12          2HE       LYS  12  -5.889   4.995  10.499
   96   1HZ   LYS  12          1HZ       LYS  12  -8.123   3.596   9.194
   97   2HZ   LYS  12          2HZ       LYS  12  -8.214   5.206   9.561
   98   3HZ   LYS  12          3HZ       LYS  12  -7.023   4.638   8.473
   99    H    ILE  13           H        ILE  13  -6.767  -1.034   6.385
  100    HA   ILE  13           HA       ILE  13  -5.561  -3.528   7.102
  101    HB   ILE  13           HB       ILE  13  -6.671  -2.972   4.314
  102   1HG1  ILE  13          1HG1      ILE  13  -8.748  -4.233   5.575
  103   2HG1  ILE  13          2HG1      ILE  13  -8.191  -3.247   6.891
  104   1HG2  ILE  13          1HG2      ILE  13  -5.434  -5.085   4.549
  105   2HG2  ILE  13          2HG2      ILE  13  -6.478  -5.549   5.895
  106   3HG2  ILE  13          3HG2      ILE  13  -7.140  -5.360   4.276
  107   1HD1  ILE  13          1HD1      ILE  13  -8.869  -2.205   4.078
  108   2HD1  ILE  13          2HD1      ILE  13  -9.990  -2.181   5.438
  109   3HD1  ILE  13          3HD1      ILE  13  -8.534  -1.208   5.487
  110    H    SER  14           H        SER  14  -3.770  -4.315   6.629
  111    HA   SER  14           HA       SER  14  -1.897  -3.268   4.581
  112   1HB   SER  14          1HB       SER  14  -0.919  -2.234   6.440
  113   2HB   SER  14          2HB       SER  14  -1.652  -3.277   7.601
  114    HG   SER  14           HG       SER  14  -0.068  -4.870   7.016
  115    H    LYS  15           H        LYS  15  -3.481  -5.473   4.013
  116    HA   LYS  15           HA       LYS  15  -1.524  -7.686   4.341
  117   1HB   LYS  15          1HB       LYS  15  -4.575  -7.894   4.565
  118   2HB   LYS  15          2HB       LYS  15  -3.466  -9.220   4.458
  119   1HG   LYS  15          1HG       LYS  15  -3.604  -9.199   6.737
  120   2HG   LYS  15          2HG       LYS  15  -2.305  -8.059   6.596
  121   1HD   LYS  15          1HD       LYS  15  -3.954  -6.171   6.757
  122   2HD   LYS  15          2HD       LYS  15  -5.275  -7.302   6.742
  123   1HE   LYS  15          1HE       LYS  15  -4.814  -6.453   9.027
  124   2HE   LYS  15          2HE       LYS  15  -4.642  -8.198   8.937
  125   1HZ   LYS  15          1HZ       LYS  15  -2.291  -6.366   8.787
  126   2HZ   LYS  15          2HZ       LYS  15  -2.860  -7.094  10.200
  127   3HZ   LYS  15          3HZ       LYS  15  -2.287  -7.980   8.899
  128    H    THR  16           H        THR  16  -0.779  -8.325   2.477
  129    HA   THR  16           HA       THR  16  -2.030  -7.352   0.112
  130    HB   THR  16           HB       THR  16  -0.183  -8.034  -1.098
  131    HG1  THR  16           HG1      THR  16   0.459 -10.054  -0.440
  132   1HG2  THR  16          1HG2      THR  16   0.160  -6.100   0.386
  133   2HG2  THR  16          2HG2      THR  16   0.804  -7.142   1.656
  134   3HG2  THR  16          3HG2      THR  16   1.662  -6.965   0.153
  135    H    MET  17           H        MET  17  -3.194  -8.318  -1.259
  136    HA   MET  17           HA       MET  17  -5.106 -10.059  -0.534
  137   1HB   MET  17          1HB       MET  17  -5.898  -9.859  -2.843
  138   2HB   MET  17          2HB       MET  17  -5.087  -8.400  -2.458
  139   1HG   MET  17          1HG       MET  17  -3.051  -9.198  -3.749
  140   2HG   MET  17          2HG       MET  17  -3.866 -10.708  -4.047
  141   1HE   MET  17          1HE       MET  17  -3.913 -10.914  -6.426
  142   2HE   MET  17          2HE       MET  17  -4.179  -9.587  -7.573
  143   3HE   MET  17          3HE       MET  17  -2.793  -9.561  -6.456
  144    H    SER  18           H        SER  18  -2.030 -10.899  -2.038
  145    HA   SER  18           HA       SER  18  -2.799 -13.781  -1.976
  146   1HB   SER  18          1HB       SER  18  -1.130 -13.769  -4.062
  147   2HB   SER  18          2HB       SER  18  -2.749 -13.150  -4.274
  148    HG   SER  18           HG       SER  18  -0.585 -11.450  -3.632
  149    H    GLY  19           H        GLY  19  -1.348 -12.067   0.144
  150   1HA   GLY  19          1HA       GLY  19   0.868 -13.984   0.296
  151   2HA   GLY  19          2HA       GLY  19   1.408 -12.385  -0.180
  152    H    LEU  20           H        LEU  20   1.376 -10.674   1.460
  153    HA   LEU  20           HA       LEU  20   1.472 -11.893   4.194
  154   1HB   LEU  20          1HB       LEU  20   3.608 -10.153   2.850
  155   2HB   LEU  20          2HB       LEU  20   3.799 -10.965   4.369
  156    HG   LEU  20           HG       LEU  20   3.490 -12.402   1.693
  157   1HD1  LEU  20          1HD1      LEU  20   5.524 -11.046   1.674
  158   2HD1  LEU  20          2HD1      LEU  20   6.036 -11.758   3.203
  159   3HD1  LEU  20          3HD1      LEU  20   5.892 -12.760   1.753
  160   1HD2  LEU  20          1HD2      LEU  20   2.858 -13.815   3.662
  161   2HD2  LEU  20          2HD2      LEU  20   4.338 -14.376   2.898
  162   3HD2  LEU  20          3HD2      LEU  20   4.418 -13.463   4.402
  163    H    GLU  21           H        GLU  21   2.362 -10.215   5.743
  164    HA   GLU  21           HA       GLU  21   0.538  -7.980   5.830
  165   1HB   GLU  21          1HB       GLU  21   1.427  -9.326   7.816
  166   2HB   GLU  21          2HB       GLU  21   2.995  -8.598   7.574
  167   1HG   GLU  21          1HG       GLU  21   1.922  -7.358   9.342
  168   2HG   GLU  21          2HG       GLU  21   1.885  -6.294   7.958
  169    H    CYS  22           H        CYS  22   1.018  -5.828   5.451
  170    HA   CYS  22           HA       CYS  22   3.294  -5.358   3.728
  171   1HB   CYS  22          1HB       CYS  22   0.978  -3.603   4.596
  172   2HB   CYS  22          2HB       CYS  22   2.377  -2.921   3.775
  173    H    GLN  23           H        GLN  23   4.766  -3.990   3.843
  174    HA   GLN  23           HA       GLN  23   6.143  -3.460   6.398
  175   1HB   GLN  23          1HB       GLN  23   7.303  -4.816   4.757
  176   2HB   GLN  23          2HB       GLN  23   6.805  -3.813   3.435
  177   1HG   GLN  23          1HG       GLN  23   8.465  -2.264   5.310
  178   2HG   GLN  23          2HG       GLN  23   9.295  -3.713   4.777
  179   1HE2  GLN  23          1HE2      GLN  23   8.588  -0.649   2.226
  180   2HE2  GLN  23          2HE2      GLN  23   8.034  -0.601   3.848
  181    H    ALA  24           H        ALA  24   6.677  -1.448   7.006
  182    HA   ALA  24           HA       ALA  24   4.897   0.583   6.217
  183   1HB   ALA  24          1HB       ALA  24   5.859   0.445   8.507
  184   2HB   ALA  24          2HB       ALA  24   7.457   0.851   7.883
  185   3HB   ALA  24          3HB       ALA  24   6.152   2.040   7.826
  186    H    TRP  25           H        TRP  25   5.047   2.426   5.110
  187    HA   TRP  25           HA       TRP  25   6.493   2.306   2.717
  188   1HB   TRP  25          1HB       TRP  25   5.042   4.667   4.043
  189   2HB   TRP  25          2HB       TRP  25   5.671   4.723   2.400
  190    HD1  TRP  25           HD1      TRP  25   2.763   3.240   4.405
  191    HE1  TRP  25           HE1      TRP  25   1.097   2.217   2.768
  192    HE3  TRP  25           HE3      TRP  25   5.534   3.525   0.147
  193    HZ2  TRP  25           HZ2      TRP  25   0.976   1.611   0.022
  194    HZ3  TRP  25           HZ3      TRP  25   4.589   2.721  -2.005
  195    HH2  TRP  25           HH2      TRP  25   2.294   1.766  -2.063
  196    H    ASP  26           H        ASP  26   7.723   3.853   5.737
  197    HA   ASP  26           HA       ASP  26   9.359   5.533   4.012
  198   1HB   ASP  26          1HB       ASP  26   8.358   6.220   6.328
  199   2HB   ASP  26          2HB       ASP  26   9.778   5.470   7.015
  200    H    SER  27           H        SER  27  11.696   5.384   5.874
  201    HA   SER  27           HA       SER  27  12.984   3.241   4.263
  202   1HB   SER  27          1HB       SER  27  13.819   5.635   4.301
  203   2HB   SER  27          2HB       SER  27  14.348   5.386   5.967
  204    HG   SER  27           HG       SER  27  16.059   4.858   4.469
  205    H    GLN  28           H        GLN  28  12.810   1.372   5.217
  206    HA   GLN  28           HA       GLN  28  13.958   1.051   7.916
  207   1HB   GLN  28          1HB       GLN  28  11.874  -0.544   8.421
  208   2HB   GLN  28          2HB       GLN  28  11.870   1.147   8.789
  209   1HG   GLN  28          1HG       GLN  28   9.719   0.504   7.796
  210   2HG   GLN  28          2HG       GLN  28  10.511   1.689   6.775
  211   1HE2  GLN  28          1HE2      GLN  28  10.656  -0.368   3.967
  212   2HE2  GLN  28          2HE2      GLN  28  10.487   1.196   4.604
  213    H    SER  29           H        SER  29  12.457  -0.841   5.220
  214    HA   SER  29           HA       SER  29  14.673  -2.461   4.750
  215   1HB   SER  29          1HB       SER  29  13.342  -4.583   5.891
  216   2HB   SER  29          2HB       SER  29  14.371  -3.569   6.866
  217    HG   SER  29           HG       SER  29  11.689  -2.799   6.653
  218    HA   PRO  30           HA       PRO  30  14.420  -5.106   4.123
  219   1HB   PRO  30          1HB       PRO  30  14.073  -5.710   1.199
  220   2HB   PRO  30          2HB       PRO  30  14.279  -6.828   2.537
  221   1HG   PRO  30          1HG       PRO  30  11.838  -6.450   1.364
  222   2HG   PRO  30          2HG       PRO  30  11.961  -6.677   3.104
  223   1HD   PRO  30          1HD       PRO  30  11.567  -4.070   1.607
  224   2HD   PRO  30          2HD       PRO  30  10.832  -4.627   3.126
  225    H    HIS  31           H        HIS  31  13.908  -2.582   1.795
  226    HA   HIS  31           HA       HIS  31  16.564  -1.624   1.973
  227   1HB   HIS  31          1HB       HIS  31  16.867  -3.448   0.182
  228   2HB   HIS  31          2HB       HIS  31  15.568  -2.741  -0.754
  229    HD1  HIS  31           HD1      HIS  31  16.176  -0.414  -1.999
  230    HD2  HIS  31           HD2      HIS  31  19.313  -2.150   0.212
  231    HE1  HIS  31           HE1      HIS  31  18.298   0.777  -2.648
  232    H    ALA  32           H        ALA  32  16.593   0.479   0.612
  233    HA   ALA  32           HA       ALA  32  14.053   1.804   0.968
  234   1HB   ALA  32          1HB       ALA  32  16.611   2.723  -0.496
  235   2HB   ALA  32          2HB       ALA  32  15.256   3.777  -0.105
  236   3HB   ALA  32          3HB       ALA  32  16.207   3.057   1.188
  237    H    HIS  33           H        HIS  33  12.674   0.809  -0.141
  238    HA   HIS  33           HA       HIS  33  12.668   0.084  -2.956
  239   1HB   HIS  33          1HB       HIS  33  10.126  -0.384  -2.331
  240   2HB   HIS  33          2HB       HIS  33  11.362  -1.316  -1.488
  241    HD1  HIS  33           HD1      HIS  33   9.719   2.087  -0.808
  242    HD2  HIS  33           HD2      HIS  33  11.137  -1.345   1.162
  243    HE1  HIS  33           HE1      HIS  33   9.414   2.477   1.631
  244    H    GLY  34           H        GLY  34  12.223   3.018  -1.489
  245   1HA   GLY  34          1HA       GLY  34  11.826   5.059  -2.613
  246   2HA   GLY  34          2HA       GLY  34  11.029   4.182  -3.943
  247    H    TYR  36           H        TYR  36   9.551   6.231  -3.289
  248    HA   TYR  36           HA       TYR  36   7.558   6.968  -2.435
  249   1HB   TYR  36          1HB       TYR  36   6.921   4.025  -1.817
  250   2HB   TYR  36          2HB       TYR  36   5.777   5.316  -1.955
  251    HD1  TYR  36           HD1      TYR  36   8.310   3.375  -3.942
  252    HD2  TYR  36           HD2      TYR  36   4.744   5.746  -4.056
  253    HE1  TYR  36           HE1      TYR  36   8.015   2.790  -6.222
  254    HE2  TYR  36           HE2      TYR  36   4.417   5.089  -6.408
  255    HH   TYR  36           HH       TYR  36   6.326   2.597  -7.868
  256    H    ILE  37           H        ILE  37   9.575   7.255  -0.816
  257    HA   ILE  37           HA       ILE  37   8.917   6.199   1.867
  258    HB   ILE  37           HB       ILE  37  11.366   7.380   0.571
  259   1HG1  ILE  37          1HG1      ILE  37  10.874   4.707   1.946
  260   2HG1  ILE  37          2HG1      ILE  37  10.791   4.963   0.237
  261   1HG2  ILE  37          1HG2      ILE  37  11.197   8.238   3.045
  262   2HG2  ILE  37          2HG2      ILE  37  11.413   6.562   3.490
  263   3HG2  ILE  37          3HG2      ILE  37  12.658   7.381   2.583
  264   1HD1  ILE  37          1HD1      ILE  37  13.225   5.635   0.202
  265   2HD1  ILE  37          2HD1      ILE  37  13.318   5.258   1.926
  266   3HD1  ILE  37          3HD1      ILE  37  12.952   3.990   0.770
  267    HA   PRO  38           HA       PRO  38   6.568   9.993   2.082
  268   1HB   PRO  38          1HB       PRO  38   6.253   9.848   4.988
  269   2HB   PRO  38          2HB       PRO  38   5.092   9.578   3.714
  270   1HG   PRO  38          1HG       PRO  38   6.776   7.641   5.205
  271   2HG   PRO  38          2HG       PRO  38   5.278   7.298   4.365
  272   1HD   PRO  38          1HD       PRO  38   7.717   6.507   3.486
  273   2HD   PRO  38          2HD       PRO  38   6.440   6.865   2.327
  274    H    SER  39           H        SER  39   9.546   9.740   3.855
  275    HA   SER  39           HA       SER  39   9.576  12.241   5.086
  276   1HB   SER  39          1HB       SER  39  12.036  12.038   5.058
  277   2HB   SER  39          2HB       SER  39  11.241  10.511   5.468
  278    HG   SER  39           HG       SER  39  12.905  10.165   3.934
  279    H    LYS  40           H        LYS  40   9.506  11.677   1.756
  280    HA   LYS  40           HA       LYS  40  10.555  14.423   1.091
  281   1HB   LYS  40          1HB       LYS  40  10.212  11.842  -0.505
  282   2HB   LYS  40          2HB       LYS  40  10.694  13.310  -1.270
  283   1HG   LYS  40          1HG       LYS  40  12.809  13.395  -0.257
  284   2HG   LYS  40          2HG       LYS  40  12.350  12.417   1.117
  285   1HD   LYS  40          1HD       LYS  40  12.750  11.376  -1.723
  286   2HD   LYS  40          2HD       LYS  40  13.877  11.204  -0.402
  287   1HE   LYS  40          1HE       LYS  40  11.088   9.956  -0.589
  288   2HE   LYS  40          2HE       LYS  40  12.607   9.112  -0.627
  289   1HZ   LYS  40          1HZ       LYS  40  11.975  10.671   1.825
  290   2HZ   LYS  40          2HZ       LYS  40  11.142   9.294   1.467
  291   3HZ   LYS  40          3HZ       LYS  40  12.831   9.253   1.604
  292    H    PHE  41           H        PHE  41   7.696  13.066   1.819
  293    HA   PHE  41           HA       PHE  41   6.280  14.292  -0.511
  294   1HB   PHE  41          1HB       PHE  41   5.439  12.049   1.352
  295   2HB   PHE  41          2HB       PHE  41   4.400  12.787   0.176
  296    HD1  PHE  41           HD1      PHE  41   7.655  10.891   0.385
  297    HD2  PHE  41           HD2      PHE  41   4.423  12.224  -2.078
  298    HE1  PHE  41           HE1      PHE  41   8.392   9.405  -1.399
  299    HE2  PHE  41           HE2      PHE  41   5.183  10.733  -3.870
  300    HZ   PHE  41           HZ       PHE  41   7.180   9.320  -3.547
  301    HA   PRO  42           HA       PRO  42   4.671  17.005   2.842
  302   1HB   PRO  42          1HB       PRO  42   3.835  19.044   1.144
  303   2HB   PRO  42          2HB       PRO  42   5.467  18.905   1.773
  304   1HG   PRO  42          1HG       PRO  42   4.479  18.043  -0.941
  305   2HG   PRO  42          2HG       PRO  42   5.957  18.919  -0.564
  306   1HD   PRO  42          1HD       PRO  42   5.893  16.208  -1.028
  307   2HD   PRO  42          2HD       PRO  42   7.068  16.901   0.097
  308    H    ASN  43           H        ASN  43   3.583  15.338   0.121
  309    HA   ASN  43           HA       ASN  43   0.774  15.833   0.265
  310   1HB   ASN  43          1HB       ASN  43   2.227  14.814  -1.676
  311   2HB   ASN  43          2HB       ASN  43   2.218  13.311  -0.789
  312   1HD2  ASN  43          1HD2      ASN  43  -1.020  14.582  -2.918
  313   2HD2  ASN  43          2HD2      ASN  43   0.363  15.595  -2.720
  314    H    LYS  44           H        LYS  44  -0.369  13.207   0.552
  315    HA   LYS  44           HA       LYS  44   0.682  12.091   3.018
  316   1HB   LYS  44          1HB       LYS  44  -1.765  12.186   4.009
  317   2HB   LYS  44          2HB       LYS  44  -0.620  13.426   4.327
  318   1HG   LYS  44          1HG       LYS  44  -2.641  13.690   2.053
  319   2HG   LYS  44          2HG       LYS  44  -3.036  14.080   3.694
  320   1HD   LYS  44          1HD       LYS  44  -1.044  15.575   1.937
  321   2HD   LYS  44          2HD       LYS  44  -2.531  16.105   2.611
  322   1HE   LYS  44          1HE       LYS  44  -1.211  17.097   4.182
  323   2HE   LYS  44          2HE       LYS  44  -1.311  15.536   4.964
  324   1HZ   LYS  44          1HZ       LYS  44   0.860  15.005   3.803
  325   2HZ   LYS  44          2HZ       LYS  44   0.898  16.581   3.280
  326   3HZ   LYS  44          3HZ       LYS  44   0.930  16.266   4.929
  327    H    ASN  45           H        ASN  45   0.811  11.357   0.497
  328    HA   ASN  45           HA       ASN  45  -1.198   9.417  -0.134
  329   1HB   ASN  45          1HB       ASN  45   0.334   8.659  -1.911
  330   2HB   ASN  45          2HB       ASN  45   0.011  10.392  -2.015
  331   1HD2  ASN  45          1HD2      ASN  45   3.726   9.740  -2.406
  332   2HD2  ASN  45          2HD2      ASN  45   2.383   9.075  -3.242
  333    H    LEU  46           H        LEU  46   2.212   9.239   1.040
  334    HA   LEU  46           HA       LEU  46   1.678   6.369   1.627
  335   1HB   LEU  46          1HB       LEU  46   4.173   8.026   2.193
  336   2HB   LEU  46          2HB       LEU  46   3.989   6.336   2.531
  337    HG   LEU  46           HG       LEU  46   4.887   5.929   0.566
  338   1HD1  LEU  46          1HD1      LEU  46   2.544   5.349  -0.066
  339   2HD1  LEU  46          2HD1      LEU  46   2.346   6.943  -0.784
  340   3HD1  LEU  46          3HD1      LEU  46   3.518   5.823  -1.440
  341   1HD2  LEU  46          1HD2      LEU  46   4.326   8.788  -0.303
  342   2HD2  LEU  46          2HD2      LEU  46   5.820   8.156   0.365
  343   3HD2  LEU  46          3HD2      LEU  46   5.283   7.627  -1.223
  344    H    LYS  47           H        LYS  47   2.085   5.477   3.741
  345    HA   LYS  47           HA       LYS  47   1.382   7.296   5.905
  346   1HB   LYS  47          1HB       LYS  47  -0.623   6.061   4.507
  347   2HB   LYS  47          2HB       LYS  47  -0.395   4.794   5.591
  348   1HG   LYS  47          1HG       LYS  47  -1.465   6.023   7.284
  349   2HG   LYS  47          2HG       LYS  47  -0.460   7.416   7.025
  350   1HD   LYS  47          1HD       LYS  47  -2.887   6.675   5.372
  351   2HD   LYS  47          2HD       LYS  47  -2.852   7.912   6.599
  352   1HE   LYS  47          1HE       LYS  47  -1.133   9.175   5.155
  353   2HE   LYS  47          2HE       LYS  47  -1.327   7.953   3.922
  354   1HZ   LYS  47          1HZ       LYS  47  -3.757   8.488   3.971
  355   2HZ   LYS  47          2HZ       LYS  47  -3.348   9.833   4.883
  356   3HZ   LYS  47          3HZ       LYS  47  -2.666   9.659   3.333
  357    H    LYS  48           H        LYS  48   0.589   4.741   7.422
  358    HA   LYS  48           HA       LYS  48   3.224   4.124   8.399
  359   1HB   LYS  48          1HB       LYS  48   0.613   2.582   8.936
  360   2HB   LYS  48          2HB       LYS  48   2.077   2.436   9.849
  361   1HG   LYS  48          1HG       LYS  48   0.301   4.916   9.611
  362   2HG   LYS  48          2HG       LYS  48   0.386   3.848  10.973
  363   1HD   LYS  48          1HD       LYS  48   2.660   5.642   9.989
  364   2HD   LYS  48          2HD       LYS  48   1.622   5.950  11.351
  365   1HE   LYS  48          1HE       LYS  48   2.472   3.843  12.473
  366   2HE   LYS  48          2HE       LYS  48   3.590   3.610  11.136
  367   1HZ   LYS  48          1HZ       LYS  48   4.602   5.716  11.658
  368   2HZ   LYS  48          2HZ       LYS  48   3.528   5.934  12.951
  369   3HZ   LYS  48          3HZ       LYS  48   4.640   4.655  12.980
  370    H    ASN  49           H        ASN  49   1.147   1.343   7.678
  371    HA   ASN  49           HA       ASN  49   2.874   0.536   5.407
  372   1HB   ASN  49          1HB       ASN  49   2.913  -1.768   6.374
  373   2HB   ASN  49          2HB       ASN  49   3.639  -0.655   7.520
  374   1HD2  ASN  49          1HD2      ASN  49   1.199  -3.041   9.135
  375   2HD2  ASN  49          2HD2      ASN  49   2.421  -3.281   7.960
  376    H    TYR  50           H        TYR  50   0.099   1.677   5.980
  377    HA   TYR  50           HA       TYR  50  -1.693  -0.466   5.222
  378   1HB   TYR  50          1HB       TYR  50  -2.253   2.533   4.987
  379   2HB   TYR  50          2HB       TYR  50  -3.435   1.276   5.207
  380    HD1  TYR  50           HD1      TYR  50  -1.965  -0.265   7.493
  381    HD2  TYR  50           HD2      TYR  50  -2.696   3.899   6.810
  382    HE1  TYR  50           HE1      TYR  50  -1.794   0.123   9.854
  383    HE2  TYR  50           HE2      TYR  50  -2.544   4.309   9.236
  384    HH   TYR  50           HH       TYR  50  -1.943   1.775  11.590
  385    H    CYS  51           H        CYS  51  -2.722  -0.777   3.209
  386    HA   CYS  51           HA       CYS  51  -1.071  -0.291   0.982
  387   1HB   CYS  51          1HB       CYS  51  -4.058  -0.863   0.761
  388   2HB   CYS  51          2HB       CYS  51  -2.787  -1.440  -0.267
  389    H    ARG  52           H        ARG  52  -1.366   1.134  -0.890
  390    HA   ARG  52           HA       ARG  52  -3.248   3.366  -0.617
  391   1HB   ARG  52          1HB       ARG  52  -0.184   3.709  -0.877
  392   2HB   ARG  52          2HB       ARG  52  -1.295   5.032  -1.052
  393   1HG   ARG  52          1HG       ARG  52  -0.955   3.466   1.517
  394   2HG   ARG  52          2HG       ARG  52  -0.239   4.998   1.158
  395   1HD   ARG  52          1HD       ARG  52  -3.242   4.444   1.304
  396   2HD   ARG  52          2HD       ARG  52  -2.263   5.341   2.483
  397    HE   ARG  52           HE       ARG  52  -1.843   6.639   0.157
  398   1HH1  ARG  52          1HH1      ARG  52  -4.614   5.844   2.111
  399   2HH1  ARG  52          2HH1      ARG  52  -5.328   7.412   2.149
  400   1HH2  ARG  52          1HH2      ARG  52  -2.966   8.697  -0.186
  401   2HH2  ARG  52          2HH2      ARG  52  -4.476   8.986   0.601
  402    H    ASN  53           H        ASN  53  -2.575   4.893  -2.572
  403    HA   ASN  53           HA       ASN  53  -2.219   3.237  -5.011
  404   1HB   ASN  53          1HB       ASN  53  -4.509   5.102  -4.168
  405   2HB   ASN  53          2HB       ASN  53  -4.219   4.931  -5.863
  406   1HD2  ASN  53          1HD2      ASN  53  -5.936   1.909  -6.010
  407   2HD2  ASN  53          2HD2      ASN  53  -5.402   3.264  -6.915
  408    HA   PRO  54           HA       PRO  54   0.299   7.217  -4.481
  409   1HB   PRO  54          1HB       PRO  54   2.400   5.373  -5.673
  410   2HB   PRO  54          2HB       PRO  54   2.627   6.553  -4.402
  411   1HG   PRO  54          1HG       PRO  54   2.532   3.922  -3.814
  412   2HG   PRO  54          2HG       PRO  54   1.681   5.063  -2.778
  413   1HD   PRO  54          1HD       PRO  54   0.475   3.308  -4.930
  414   2HD   PRO  54          2HD       PRO  54  -0.087   3.666  -3.296
  415    H    ASP  55           H        ASP  55   0.198   4.781  -6.896
  416    HA   ASP  55           HA       ASP  55   0.541   6.513  -9.248
  417   1HB   ASP  55          1HB       ASP  55   1.176   4.199 -10.213
  418   2HB   ASP  55          2HB       ASP  55   2.200   4.690  -8.875
  419    H    ARG  56           H        ARG  56  -1.795   5.232  -7.396
  420    HA   ARG  56           HA       ARG  56  -3.556   4.030  -7.531
  421   1HB   ARG  56          1HB       ARG  56  -5.486   4.994  -8.445
  422   2HB   ARG  56          2HB       ARG  56  -4.510   6.154  -7.674
  423   1HG   ARG  56          1HG       ARG  56  -4.423   5.784 -10.723
  424   2HG   ARG  56          2HG       ARG  56  -5.646   6.750  -9.938
  425   1HD   ARG  56          1HD       ARG  56  -2.685   7.315 -10.062
  426   2HD   ARG  56          2HD       ARG  56  -4.012   8.347 -10.592
  427    HE   ARG  56           HE       ARG  56  -4.695   8.329  -8.099
  428   1HH1  ARG  56          1HH1      ARG  56  -1.395   8.441  -9.330
  429   2HH1  ARG  56          2HH1      ARG  56  -0.645   8.685  -7.793
  430   1HH2  ARG  56          1HH2      ARG  56  -3.800   8.959  -6.164
  431   2HH2  ARG  56          2HH2      ARG  56  -2.094   9.167  -5.931
  432    H    GLU  57           H        GLU  57  -2.309   2.427  -8.091
  433    HA   GLU  57           HA       GLU  57  -2.576   0.908 -10.462
  434   1HB   GLU  57          1HB       GLU  57  -0.947   0.434  -8.622
  435   2HB   GLU  57          2HB       GLU  57  -2.264   0.337  -7.494
  436   1HG   GLU  57          1HG       GLU  57  -1.356  -1.850  -7.799
  437   2HG   GLU  57          2HG       GLU  57  -2.978  -1.864  -8.397
  438    H    LEU  58           H        LEU  58  -3.879  -1.122 -10.520
  439    HA   LEU  58           HA       LEU  58  -6.629  -0.526 -10.529
  440   1HB   LEU  58          1HB       LEU  58  -5.569  -2.310 -11.898
  441   2HB   LEU  58          2HB       LEU  58  -5.163  -3.220 -10.468
  442    HG   LEU  58           HG       LEU  58  -7.510  -3.658  -9.989
  443   1HD1  LEU  58          1HD1      LEU  58  -8.136  -2.079 -12.531
  444   2HD1  LEU  58          2HD1      LEU  58  -9.301  -3.059 -11.648
  445   3HD1  LEU  58          3HD1      LEU  58  -8.607  -1.634 -10.892
  446   1HD2  LEU  58          1HD2      LEU  58  -6.278  -5.244 -11.424
  447   2HD2  LEU  58          2HD2      LEU  58  -7.979  -5.191 -11.874
  448   3HD2  LEU  58          3HD2      LEU  58  -6.781  -4.360 -12.862
  449    H    ARG  59           H        ARG  59  -4.723  -2.354  -8.201
  450    HA   ARG  59           HA       ARG  59  -6.932  -2.232  -6.252
  451   1HB   ARG  59          1HB       ARG  59  -6.134  -4.522  -7.263
  452   2HB   ARG  59          2HB       ARG  59  -4.633  -4.242  -6.475
  453   1HG   ARG  59          1HG       ARG  59  -5.699  -5.687  -4.970
  454   2HG   ARG  59          2HG       ARG  59  -6.009  -4.152  -4.264
  455   1HD   ARG  59          1HD       ARG  59  -7.831  -6.153  -5.611
  456   2HD   ARG  59          2HD       ARG  59  -8.161  -5.175  -4.200
  457    HE   ARG  59           HE       ARG  59  -8.542  -3.239  -5.658
  458   1HH1  ARG  59          1HH1      ARG  59  -8.734  -6.403  -7.183
  459   2HH1  ARG  59          2HH1      ARG  59  -9.349  -5.808  -8.678
  460   1HH2  ARG  59          1HH2      ARG  59  -9.140  -2.426  -7.617
  461   2HH2  ARG  59          2HH2      ARG  59  -9.734  -3.439  -8.887
  462    HA   PRO  61           HA       PRO  61  -4.037   0.289  -3.907
  463   1HB   PRO  61          1HB       PRO  61  -4.889  -0.211  -1.271
  464   2HB   PRO  61          2HB       PRO  61  -5.738   0.843  -2.377
  465   1HG   PRO  61          1HG       PRO  61  -6.365  -2.022  -1.757
  466   2HG   PRO  61          2HG       PRO  61  -7.485  -0.668  -1.879
  467   1HD   PRO  61          1HD       PRO  61  -7.103  -2.482  -3.911
  468   2HD   PRO  61          2HD       PRO  61  -7.431  -0.817  -4.318
  469    H    TRP  62           H        TRP  62  -1.946  -0.106  -3.316
  470    HA   TRP  62           HA       TRP  62  -1.322  -2.853  -2.289
  471   1HB   TRP  62          1HB       TRP  62   0.655  -2.919  -3.835
  472   2HB   TRP  62          2HB       TRP  62  -0.826  -2.704  -4.734
  473    HD1  TRP  62           HD1      TRP  62  -1.279  -0.379  -5.883
  474    HE1  TRP  62           HE1      TRP  62   0.333   1.519  -6.639
  475    HE3  TRP  62           HE3      TRP  62   2.742  -1.631  -3.091
  476    HZ2  TRP  62           HZ2      TRP  62   2.955   2.354  -6.009
  477    HZ3  TRP  62           HZ3      TRP  62   4.772  -0.251  -3.124
  478    HH2  TRP  62           HH2      TRP  62   4.906   1.742  -4.607
  479    H    CYS  63           H        CYS  63   0.882  -3.088  -1.490
  480    HA   CYS  63           HA       CYS  63   2.365  -0.761  -0.681
  481   1HB   CYS  63          1HB       CYS  63   2.326  -1.572   1.856
  482   2HB   CYS  63          2HB       CYS  63   1.077  -0.531   1.278
  483    H    PHE  64           H        PHE  64   4.321  -1.523   0.620
  484    HA   PHE  64           HA       PHE  64   5.411  -3.686  -0.962
  485   1HB   PHE  64          1HB       PHE  64   6.590  -2.082   1.378
  486   2HB   PHE  64          2HB       PHE  64   7.518  -3.161   0.355
  487    HD1  PHE  64           HD1      PHE  64   7.047  -2.716  -2.286
  488    HD2  PHE  64           HD2      PHE  64   6.785   0.208   0.821
  489    HE1  PHE  64           HE1      PHE  64   7.424  -0.906  -3.940
  490    HE2  PHE  64           HE2      PHE  64   7.231   1.984  -0.836
  491    HZ   PHE  64           HZ       PHE  64   7.596   1.410  -3.193
  492    H    THR  65           H        THR  65   6.224  -5.690  -0.099
  493    HA   THR  65           HA       THR  65   4.568  -6.516   2.235
  494    HB   THR  65           HB       THR  65   4.588  -8.637   1.496
  495    HG1  THR  65           HG1      THR  65   7.063  -8.330   0.215
  496   1HG2  THR  65          1HG2      THR  65   3.683  -7.263  -0.396
  497   2HG2  THR  65          2HG2      THR  65   5.221  -7.372  -1.219
  498   3HG2  THR  65          3HG2      THR  65   4.292  -8.833  -0.892
  499    H    THR  66           H        THR  66   5.736  -8.311   3.592
  500    HA   THR  66           HA       THR  66   8.098  -6.976   4.711
  501    HB   THR  66           HB       THR  66   7.559  -9.060   6.385
  502    HG1  THR  66           HG1      THR  66   4.998  -8.573   5.336
  503   1HG2  THR  66          1HG2      THR  66   5.931  -6.464   6.265
  504   2HG2  THR  66          2HG2      THR  66   5.999  -7.563   7.644
  505   3HG2  THR  66          3HG2      THR  66   7.447  -6.725   7.106
  506    H    ASP  67           H        ASP  67   7.585  -9.331   2.320
  507    HA   ASP  67           HA       ASP  67   9.791 -11.035   3.173
  508   1HB   ASP  67          1HB       ASP  67   7.959 -12.060   1.990
  509   2HB   ASP  67          2HB       ASP  67   8.158 -10.988   0.608
  510    HA   PRO  68           HA       PRO  68  12.953  -8.412   1.277
  511   1HB   PRO  68          1HB       PRO  68  14.417 -11.052   1.111
  512   2HB   PRO  68          2HB       PRO  68  15.020  -9.503   1.689
  513   1HG   PRO  68          1HG       PRO  68  14.283 -11.451   3.448
  514   2HG   PRO  68          2HG       PRO  68  13.873  -9.769   3.775
  515   1HD   PRO  68          1HD       PRO  68  12.037 -11.928   2.719
  516   2HD   PRO  68          2HD       PRO  68  11.714 -10.619   3.880
  517    H    ASN  69           H        ASN  69  11.312 -10.860  -0.456
  518    HA   ASN  69           HA       ASN  69  12.733 -10.007  -2.959
  519   1HB   ASN  69          1HB       ASN  69  11.489 -12.753  -2.351
  520   2HB   ASN  69          2HB       ASN  69  12.057 -12.244  -3.923
  521   1HD2  ASN  69          1HD2      ASN  69  15.475 -12.073  -2.041
  522   2HD2  ASN  69          2HD2      ASN  69  14.368 -10.751  -2.114
  523    H    LYS  70           H        LYS  70   9.608 -10.774  -1.413
  524    HA   LYS  70           HA       LYS  70   8.275  -9.924  -3.888
  525   1HB   LYS  70          1HB       LYS  70   7.267 -11.677  -2.259
  526   2HB   LYS  70          2HB       LYS  70   6.988 -10.400  -1.153
  527   1HG   LYS  70          1HG       LYS  70   4.931 -10.530  -2.308
  528   2HG   LYS  70          2HG       LYS  70   5.706  -9.168  -3.063
  529   1HD   LYS  70          1HD       LYS  70   6.611 -11.237  -4.693
  530   2HD   LYS  70          2HD       LYS  70   5.116 -11.910  -4.130
  531   1HE   LYS  70          1HE       LYS  70   5.562  -9.438  -5.846
  532   2HE   LYS  70          2HE       LYS  70   4.515 -10.819  -6.139
  533   1HZ   LYS  70          1HZ       LYS  70   3.261  -9.931  -4.099
  534   2HZ   LYS  70          2HZ       LYS  70   4.100  -8.486  -4.431
  535   3HZ   LYS  70          3HZ       LYS  70   3.087  -9.149  -5.591
  536    H    ARG  71           H        ARG  71   9.132  -7.935  -4.139
  537    HA   ARG  71           HA       ARG  71   9.207  -5.930  -2.167
  538   1HB   ARG  71          1HB       ARG  71  10.490  -6.003  -4.290
  539   2HB   ARG  71          2HB       ARG  71   9.129  -5.464  -5.200
  540   1HG   ARG  71          1HG       ARG  71  10.047  -3.821  -2.792
  541   2HG   ARG  71          2HG       ARG  71  11.069  -3.824  -4.195
  542   1HD   ARG  71          1HD       ARG  71   8.146  -2.981  -4.258
  543   2HD   ARG  71          2HD       ARG  71   9.557  -1.897  -4.162
  544    HE   ARG  71           HE       ARG  71   9.364  -3.807  -6.398
  545   1HH1  ARG  71          1HH1      ARG  71   9.104  -0.408  -5.295
  546   2HH1  ARG  71          2HH1      ARG  71   8.431   0.087  -6.815
  547   1HH2  ARG  71          1HH2      ARG  71   9.138  -2.874  -8.522
  548   2HH2  ARG  71          2HH2      ARG  71   8.690  -1.202  -8.619
  549    H    TRP  72           H        TRP  72   6.984  -5.406  -4.985
  550    HA   TRP  72           HA       TRP  72   5.116  -4.168  -3.052
  551   1HB   TRP  72          1HB       TRP  72   4.008  -3.139  -4.936
  552   2HB   TRP  72          2HB       TRP  72   5.689  -2.779  -5.092
  553    HD1  TRP  72           HD1      TRP  72   7.138  -4.249  -7.001
  554    HE1  TRP  72           HE1      TRP  72   6.322  -5.006  -9.292
  555    HE3  TRP  72           HE3      TRP  72   2.136  -4.063  -6.153
  556    HZ2  TRP  72           HZ2      TRP  72   3.840  -5.441 -10.586
  557    HZ3  TRP  72           HZ3      TRP  72   0.547  -4.637  -7.978
  558    HH2  TRP  72           HH2      TRP  72   1.398  -5.270 -10.188
  559    H    GLU  73           H        GLU  73   2.801  -4.600  -3.108
  560    HA   GLU  73           HA       GLU  73   1.840  -6.618  -4.824
  561   1HB   GLU  73          1HB       GLU  73   3.002  -8.035  -2.908
  562   2HB   GLU  73          2HB       GLU  73   1.745  -7.482  -1.896
  563   1HG   GLU  73          1HG       GLU  73  -0.005  -8.473  -3.374
  564   2HG   GLU  73          2HG       GLU  73   1.183  -8.903  -4.572
  565    H    LEU  74           H        LEU  74  -0.282  -6.824  -4.890
  566    HA   LEU  74           HA       LEU  74  -1.823  -4.549  -4.070
  567   1HB   LEU  74          1HB       LEU  74  -2.819  -7.229  -5.195
  568   2HB   LEU  74          2HB       LEU  74  -3.655  -5.713  -5.232
  569    HG   LEU  74           HG       LEU  74  -1.138  -6.387  -6.796
  570   1HD1  LEU  74          1HD1      LEU  74  -3.159  -7.451  -7.696
  571   2HD1  LEU  74          2HD1      LEU  74  -3.996  -5.910  -7.749
  572   3HD1  LEU  74          3HD1      LEU  74  -2.598  -6.187  -8.779
  573   1HD2  LEU  74          1HD2      LEU  74  -2.600  -3.715  -6.557
  574   2HD2  LEU  74          2HD2      LEU  74  -0.893  -4.062  -6.353
  575   3HD2  LEU  74          3HD2      LEU  74  -1.621  -4.142  -7.946
  576    H    CYS  75           H        CYS  75  -3.507  -4.467  -2.616
  577    HA   CYS  75           HA       CYS  75  -3.710  -6.594  -0.560
  578   1HB   CYS  75          1HB       CYS  75  -4.514  -3.642  -0.514
  579   2HB   CYS  75          2HB       CYS  75  -4.660  -4.732   0.838
  580    H    ASP  76           H        ASP  76  -5.734  -6.964   0.389
  581    HA   ASP  76           HA       ASP  76  -7.990  -6.264  -1.470
  582   1HB   ASP  76          1HB       ASP  76  -7.806  -8.749  -1.284
  583   2HB   ASP  76          2HB       ASP  76  -8.022  -8.637   0.455
  584    H    ILE  77           H        ILE  77  -9.241  -4.901  -0.766
  585    HA   ILE  77           HA       ILE  77  -9.238  -4.053   2.086
  586    HB   ILE  77           HB       ILE  77  -9.275  -2.608  -0.577
  587   1HG1  ILE  77          1HG1      ILE  77  -7.718  -1.073   0.407
  588   2HG1  ILE  77          2HG1      ILE  77  -8.089  -1.600   2.016
  589   1HG2  ILE  77          1HG2      ILE  77 -11.395  -1.739   0.485
  590   2HG2  ILE  77          2HG2      ILE  77 -10.420  -1.189   1.850
  591   3HG2  ILE  77          3HG2      ILE  77 -10.148  -0.525   0.258
  592   1HD1  ILE  77          1HD1      ILE  77  -6.707  -3.415   0.020
  593   2HD1  ILE  77          2HD1      ILE  77  -5.873  -2.397   1.202
  594   3HD1  ILE  77          3HD1      ILE  77  -6.919  -3.684   1.758
  595    HA   PRO  78           HA       PRO  78 -13.225  -5.672   2.474
  596   1HB   PRO  78          1HB       PRO  78 -14.206  -3.004   3.491
  597   2HB   PRO  78          2HB       PRO  78 -14.408  -4.590   4.199
  598   1HG   PRO  78          1HG       PRO  78 -12.477  -2.797   5.075
  599   2HG   PRO  78          2HG       PRO  78 -12.244  -4.537   5.177
  600   1HD   PRO  78          1HD       PRO  78 -10.896  -2.659   3.331
  601   2HD   PRO  78          2HD       PRO  78 -10.446  -4.297   3.811
  602    H    ARG  79           H        ARG  79 -14.701  -6.196   1.118
  603    HA   ARG  79           HA       ARG  79 -15.409  -4.445  -1.093
  604   1HB   ARG  79          1HB       ARG  79 -15.151  -7.151  -0.922
  605   2HB   ARG  79          2HB       ARG  79 -16.788  -7.089  -0.395
  606   1HG   ARG  79          1HG       ARG  79 -17.150  -7.393  -2.643
  607   2HG   ARG  79          2HG       ARG  79 -17.138  -5.655  -2.655
  608   1HD   ARG  79          1HD       ARG  79 -14.766  -7.505  -3.384
  609   2HD   ARG  79          2HD       ARG  79 -15.728  -6.549  -4.500
  610    HE   ARG  79           HE       ARG  79 -14.748  -4.579  -3.792
  611   1HH1  ARG  79          1HH1      ARG  79 -13.136  -7.392  -2.371
  612   2HH1  ARG  79          2HH1      ARG  79 -11.926  -6.482  -1.570
  613   1HH2  ARG  79          1HH2      ARG  79 -13.378  -3.344  -2.450
  614   2HH2  ARG  79          2HH2      ARG  79 -12.148  -4.163  -1.529
  615    H    CYS  80           H        CYS  80 -17.026  -2.978  -1.052
  616    HA   CYS  80           HA       CYS  80 -18.725  -2.769   1.265
  617   1HB   CYS  80          1HB       CYS  80 -19.055  -1.446  -1.476
  618   2HB   CYS  80          2HB       CYS  80 -19.900  -0.975  -0.026
  619    H    THR  81           H        THR  81 -19.703  -4.853   1.383
  620    HA   THR  81           HA       THR  81 -22.290  -4.956   0.237
  621    HB   THR  81           HB       THR  81 -21.135  -5.764  -1.773
  622    HG1  THR  81           HG1      THR  81 -22.439  -7.784  -0.354
  623   1HG2  THR  81          1HG2      THR  81 -19.790  -7.894  -0.033
  624   2HG2  THR  81          2HG2      THR  81 -19.735  -7.819  -1.793
  625   3HG2  THR  81          3HG2      THR  81 -18.996  -6.545  -0.836
  626    H1   AMH  84           H1       AMH  84   5.832  -1.194  -9.349
  627   1H2   AMH  84          1H2       AMH  84   5.437   1.144 -10.257
  628   2H2   AMH  84          2H2       AMH  84   4.429   1.461  -8.819
  629   1H3   AMH  84          1H3       AMH  84   3.148   0.827 -10.896
  630   2H3   AMH  84          2H3       AMH  84   3.875  -0.781 -10.794
  631    H4   AMH  84           H4       AMH  84   2.235   0.497  -8.574
  632   1H5   AMH  84          1H5       AMH  84   2.525  -1.688  -7.468
  633   2H5   AMH  84          2H5       AMH  84   3.411  -2.279  -8.866
  634   1H6   AMH  84          1H6       AMH  84   5.069  -1.722  -7.128
  635   2H6   AMH  84          2H6       AMH  84   4.356  -0.149  -6.902
  636   1H7   AMH  84          1H7       AMH  84   1.575  -1.897 -10.368
  637   2H7   AMH  84          2H7       AMH  84   0.543  -1.217  -9.107
  638   1HN   AMH  84          1HN       AMH  84  -0.214  -0.352 -11.052
  639   2HN   AMH  84          2HN       AMH  84   0.687   0.877 -10.448
  640   3HN   AMH  84          3HN       AMH  84   1.272  -0.045 -11.665