*HEADER    TRANSCRIPTION                           17-AUG-00   1FMH              
*TITLE     NMR SOLUTION STRUCTURE OF A DESIGNED HETERODIMERIC LEUCINE            
*TITLE    2 ZIPPER                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GENERAL CONTROL PROTEIN GCN4;                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: LEUCINE ZIPPER ACIDIC CHAIN;                               
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES;                                                       
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: GENERAL CONTROL PROTEIN GCN4;                              
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 FRAGMENT: LEUCINE ZIPPER BASIC CHAIN;                                
*COMPND  11 ENGINEERED: YES;                                                     
*COMPND  12 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHETIC PEPTIDE BASED ON THE SEQUENCE OF            
*SOURCE   4 THE LEUCINE ZIPPER DOMAIN IN GCN4 (BAKER'S YEAST);                   
*SOURCE   5 MOL_ID: 2;                                                           
*SOURCE   6 SYNTHETIC: YES;                                                      
*SOURCE   7 OTHER_DETAILS: SYNTHETIC PEPTIDE BASED ON THE SEQUENCE OF            
*SOURCE   8 THE LEUCINE ZIPPER DOMAIN IN GCN4 (BAKER'S YEAST)                    
*KEYWDS    COILED COIL, LEUCINE ZIPPER, INTER-HELICAL ION PAIRING                
*EXPDTA    NMR, 25 STRUCTURES                                                    
*AUTHOR    D.N.MARTI, I.JELESAROV, H.R.BOSSHARD                                  
*REVDAT   1   01-NOV-00 1FMH    0                                                
{  Distance Constraints }

ASSIGN (RESID 16  AND NAME HN   ) (RESID 16  AND NAME HB1  )    2.4   0.6   0.7
ASSIGN (RESID 17  AND NAME HN   ) (RESID 16  AND NAME HB1  )    2.6   0.8   0.8
ASSIGN (RESID 16  AND NAME HD21 ) (RESID 16  AND NAME HB1  )    2.8   1.0   0.8
ASSIGN (RESID 16  AND NAME HD22 ) (RESID 16  AND NAME HB1  )    3.3   1.5   1.0
ASSIGN (RESID 47  AND NAME HD22 ) (RESID 47  AND NAME HB1  )    3.0   1.2   0.9
ASSIGN (RESID 47  AND NAME HN   ) (RESID 47  AND NAME HB1  )    2.6   0.8   0.8
ASSIGN (RESID 48  AND NAME HN   ) (RESID 47  AND NAME HB1  )    2.7   0.9   0.8
ASSIGN (RESID 47  AND NAME HD21 ) (RESID 47  AND NAME HB1  )    2.5   0.7   0.8
ASSIGN (RESID 18  AND NAME HN   ) (RESID 18  AND NAME HG2  )    2.9   1.1   0.9
ASSIGN (RESID 6   AND NAME HN   ) (RESID 6   AND NAME HG2  )    2.4   0.6   0.7
ASSIGN (RESID 11  AND NAME HN   ) (RESID 11  AND NAME HG2  )    3.8   2.0   1.0
ASSIGN (RESID 8   AND NAME HN   ) (RESID 8   AND NAME HG2  )    3.5   1.7   1.0
ASSIGN (RESID 41  AND NAME HN   ) (RESID 41  AND NAME HG2  )    2.8   1.0   0.8
ASSIGN (RESID 13  AND NAME HN   ) (RESID 13  AND NAME HG2  )    3.3   1.5   1.0
ASSIGN (RESID 18  AND NAME HN   ) (RESID 18  AND NAME HG1  )    3.0   1.2   0.9
ASSIGN (RESID 27  AND NAME HN   ) (RESID 27  AND NAME HG2  )    3.4   1.6   1.0
ASSIGN (RESID 34  AND NAME HN   ) (RESID 34  AND NAME HG*  )    3.5   1.7   1.0
ASSIGN (RESID 20  AND NAME HN   ) (RESID 20  AND NAME HG2  )    2.7   0.9   0.8
ASSIGN (RESID 55  AND NAME HN   ) (RESID 55  AND NAME HG2  )    2.6   0.8   0.8
ASSIGN (RESID 41  AND NAME HN   ) (RESID 41  AND NAME HG1  )    2.8   1.0   0.8
ASSIGN (RESID 4   AND NAME HE21 ) (RESID 4   AND NAME HG*  )    3.4   1.6   1.0
ASSIGN (RESID 4   AND NAME HE22 ) (RESID 4   AND NAME HG*  )    4.1   2.3   1.2
ASSIGN (RESID 11  AND NAME HN   ) (RESID 11  AND NAME HG1  )    3.8   2.0   1.1
ASSIGN (RESID 5   AND NAME HN   ) (RESID 4   AND NAME HG*  )    4.0   2.2   1.2
ASSIGN (RESID 29  AND NAME HN   ) (RESID 29  AND NAME HG2  )    2.9   1.1   0.9
ASSIGN (RESID 22  AND NAME HN   ) (RESID 22  AND NAME HG2  )    3.5   1.7   1.0
ASSIGN (RESID 55  AND NAME HN   ) (RESID 55  AND NAME HG1  )    2.9   1.1   0.9
ASSIGN (RESID 29  AND NAME HN   ) (RESID 29  AND NAME HG1  )    3.1   1.3   0.9
ASSIGN (RESID 19  AND NAME HN   ) (RESID 18  AND NAME HB*  )    3.3   1.5   1.0
ASSIGN (RESID 18  AND NAME HN   ) (RESID 18  AND NAME HB*  )    2.9   1.1   0.9
ASSIGN (RESID 13  AND NAME HN   ) (RESID 13  AND NAME HB2  )    2.2   0.4   0.7
ASSIGN (RESID 14  AND NAME HN   ) (RESID 13  AND NAME HB2  )    2.5   0.7   0.7
ASSIGN (RESID 11  AND NAME HN   ) (RESID 11  AND NAME HB2  )    2.3   0.5   0.7
ASSIGN (RESID 12  AND NAME HN   ) (RESID 11  AND NAME HB2  )    2.7   0.9   0.8
ASSIGN (RESID 25  AND NAME HN   ) (RESID 25  AND NAME HB2  )    2.3   0.5   0.7
ASSIGN (RESID 52  AND NAME HN   ) (RESID 52  AND NAME HG*  )    3.5   1.7   1.1
ASSIGN (RESID 7   AND NAME HN   ) (RESID 6   AND NAME HB2  )    3.3   1.5   1.0
ASSIGN (RESID 6   AND NAME HN   ) (RESID 6   AND NAME HB2  )    3.0   1.2   0.9
ASSIGN (RESID 42  AND NAME HN   ) (RESID 41  AND NAME HB*  )    3.2   1.4   1.0
ASSIGN (RESID 40  AND NAME HN   ) (RESID 40  AND NAME HB   )    2.1   0.3   0.6
ASSIGN (RESID 41  AND NAME HN   ) (RESID 40  AND NAME HB   )    2.0   0.2   0.6
ASSIGN (RESID 9   AND NAME HN   ) (RESID 9   AND NAME HB   )    2.2   0.4   0.7
ASSIGN (RESID 21  AND NAME HN   ) (RESID 21  AND NAME HG*  )    3.4   1.6   1.0
ASSIGN (RESID 15  AND NAME HN   ) (RESID 15  AND NAME HB2  )    2.3   0.5   0.7
ASSIGN (RESID 34  AND NAME HN   ) (RESID 34  AND NAME HB2  )    2.3   0.5   0.7
ASSIGN (RESID 22  AND NAME HN   ) (RESID 22  AND NAME HB*  )    2.9   1.1   0.9
ASSIGN (RESID 12  AND NAME HN   ) (RESID 11  AND NAME HB1  )    2.5   0.7   0.8
ASSIGN (RESID 16  AND NAME HN   ) (RESID 15  AND NAME HB2  )    2.6   0.8   0.8
ASSIGN (RESID 8   AND NAME HN   ) (RESID 8   AND NAME HB1  )    2.6   0.8   0.8
ASSIGN (RESID 30  AND NAME HN   ) (RESID 29  AND NAME HB2  )    2.8   1.0   0.8
ASSIGN (RESID 27  AND NAME HN   ) (RESID 27  AND NAME HB2  )    2.3   0.5   0.7
ASSIGN (RESID 23  AND NAME HN   ) (RESID 23  AND NAME HB   )    2.1   0.3   0.6
ASSIGN (RESID 24  AND NAME HN   ) (RESID 23  AND NAME HB   )    2.3   0.5   0.7
ASSIGN (RESID 52  AND NAME HN   ) (RESID 52  AND NAME HB*  )    2.7   0.9   0.8
ASSIGN (RESID 1   AND NAME HN   ) (RESID 1   AND NAME HB2  )    3.2   1.4   1.0
ASSIGN (RESID 39  AND NAME HN   ) (RESID 39  AND NAME HB2  )    2.4   0.6   0.7
ASSIGN (RESID 32  AND NAME HN   ) (RESID 32  AND NAME HB2  )    3.1   1.3   0.9
ASSIGN (RESID 22  AND NAME HN   ) (RESID 21  AND NAME HB*  )    3.4   1.6   1.0
ASSIGN (RESID 21  AND NAME HN   ) (RESID 21  AND NAME HB*  )    2.9   1.1   0.9
ASSIGN (RESID 5   AND NAME HN   ) (RESID 5   AND NAME HB2  )    2.0   0.2   0.6
ASSIGN (RESID 6   AND NAME HN   ) (RESID 5   AND NAME HB2  )    2.9   1.1   0.9
ASSIGN (RESID 1   AND NAME HN   ) (RESID 1   AND NAME HB1  )    2.9   1.1   0.9
ASSIGN (RESID 13  AND NAME HN   ) (RESID 13  AND NAME HB1  )    2.7   0.9   0.8
ASSIGN (RESID 8   AND NAME HN   ) (RESID 7   AND NAME HB*  )    3.2   1.4   1.0
ASSIGN (RESID 14  AND NAME HN   ) (RESID 13  AND NAME HB1  )    2.9   1.1   0.9
ASSIGN (RESID 7   AND NAME HN   ) (RESID 7   AND NAME HB*  )    2.9   1.1   0.9
ASSIGN (RESID 39  AND NAME HN   ) (RESID 39  AND NAME HB1  )    2.2   0.4   0.7
ASSIGN (RESID 47  AND NAME HN   ) (RESID 46  AND NAME HB*  )    3.2   1.4   1.0
ASSIGN (RESID 46  AND NAME HN   ) (RESID 46  AND NAME HB*  )    2.9   1.1   0.9
ASSIGN (RESID 39  AND NAME HN   ) (RESID 38  AND NAME HB*  )    3.5   1.7   1.1
ASSIGN (RESID 38  AND NAME HN   ) (RESID 37  AND NAME HB2  )    2.3   0.5   0.7
ASSIGN (RESID 27  AND NAME HN   ) (RESID 27  AND NAME HB1  )    2.8   1.0   0.8
ASSIGN (RESID 28  AND NAME HN   ) (RESID 27  AND NAME HB1  )    2.7   0.9   0.8
ASSIGN (RESID 26  AND NAME HN   ) (RESID 26  AND NAME HG   )    2.4   0.6   0.7
ASSIGN (RESID 57  AND NAME HN   ) (RESID 57  AND NAME HG   )    2.0   0.2   0.6
ASSIGN (RESID 45  AND NAME HN   ) (RESID 44  AND NAME HB1  )    2.9   1.1   0.9
ASSIGN (RESID 43  AND NAME HN   ) (RESID 43  AND NAME HG   )    2.4   0.6   0.7
ASSIGN (RESID 58  AND NAME HN   ) (RESID 58  AND NAME HB1  )    2.9   1.1   0.9
ASSIGN (RESID 44  AND NAME HN   ) (RESID 44  AND NAME HD1  )    2.9   1.1   0.9
ASSIGN (RESID 51  AND NAME HN   ) (RESID 51  AND NAME HD*  )    3.4   1.6   1.0
ASSIGN (RESID 7   AND NAME HN   ) (RESID 7   AND NAME HG2  )    2.8   1.0   0.9
ASSIGN (RESID 37  AND NAME HN   ) (RESID 37  AND NAME HD1  )    3.1   1.3   0.9
ASSIGN (RESID 58  AND NAME HN   ) (RESID 58  AND NAME HG*  )    4.1   2.3   1.2
ASSIGN (RESID 14  AND NAME HN   ) (RESID 14  AND NAME HB*  )    3.0   1.2   0.9
ASSIGN (RESID 15  AND NAME HN   ) (RESID 14  AND NAME HB*  )    3.3   1.5   1.0
ASSIGN (RESID 49  AND NAME HN   ) (RESID 49  AND NAME HB*  )    2.9   1.1   0.9
ASSIGN (RESID 52  AND NAME HE21 ) (RESID 49  AND NAME HB*  )    5.0   3.2   1.5
ASSIGN (RESID 50  AND NAME HN   ) (RESID 49  AND NAME HB*  )    3.1   1.3   0.9
ASSIGN (RESID 46  AND NAME HN   ) (RESID 45  AND NAME HB*  )    3.3   1.5   1.0
ASSIGN (RESID 45  AND NAME HN   ) (RESID 45  AND NAME HB*  )    2.9   1.1   0.9
ASSIGN (RESID 42  AND NAME HN   ) (RESID 42  AND NAME HB*  )    3.0   1.2   0.9
ASSIGN (RESID 11  AND NAME HN   ) (RESID 10  AND NAME HB*  )    3.3   1.5   1.0
ASSIGN (RESID 10  AND NAME HN   ) (RESID 10  AND NAME HB*  )    3.0   1.2   0.9
ASSIGN (RESID 9   AND NAME HN   ) (RESID 10  AND NAME HB*  )    4.4   2.6   1.3
ASSIGN (RESID 57  AND NAME HN   ) (RESID 56  AND NAME HB*  )    3.3   1.5   1.0
ASSIGN (RESID 56  AND NAME HN   ) (RESID 56  AND NAME HB*  )    3.0   1.2   0.9
ASSIGN (RESID 55  AND NAME HN   ) (RESID 56  AND NAME HB*  )    4.2   2.4   1.3
ASSIGN (RESID 13  AND NAME HN   ) (RESID 12  AND NAME HB*  )    3.5   1.7   1.0
ASSIGN (RESID 12  AND NAME HN   ) (RESID 12  AND NAME HB*  )    3.0   1.2   0.9
ASSIGN (RESID 47  AND NAME HD21 ) (RESID 12  AND NAME HB*  )    3.7   1.9   1.1
ASSIGN (RESID 16  AND NAME HD22 ) (RESID 50  AND NAME HB*  )    4.4   2.6   1.3
ASSIGN (RESID 51  AND NAME HN   ) (RESID 50  AND NAME HB*  )    3.5   1.7   1.0
ASSIGN (RESID 34  AND NAME HN   ) (RESID 35  AND NAME HB*  )    4.2   2.4   1.3
ASSIGN (RESID 36  AND NAME HN   ) (RESID 35  AND NAME HB*  )    3.4   1.6   1.0
ASSIGN (RESID 35  AND NAME HN   ) (RESID 35  AND NAME HB*  )    3.0   1.2   0.9
ASSIGN (RESID 25  AND NAME HN   ) (RESID 24  AND NAME HB*  )    3.4   1.6   1.0
ASSIGN (RESID 24  AND NAME HN   ) (RESID 24  AND NAME HB*  )    3.0   1.2   0.9
ASSIGN (RESID 44  AND NAME HN   ) (RESID 44  AND NAME HG*  )    3.9   2.1   1.2
ASSIGN (RESID 23  AND NAME HN   ) (RESID 24  AND NAME HB*  )    5.0   3.2   1.5
ASSIGN (RESID 2   AND NAME HN   ) (RESID 3   AND NAME HB*  )    4.6   2.8   1.4
ASSIGN (RESID 3   AND NAME HN   ) (RESID 3   AND NAME HB*  )    3.0   1.2   0.9
ASSIGN (RESID 4   AND NAME HN   ) (RESID 3   AND NAME HB*  )    3.4   1.6   1.0
ASSIGN (RESID 58  AND NAME HN   ) (RESID 57  AND NAME HB1  )    3.0   1.2   0.9
ASSIGN (RESID 44  AND NAME HN   ) (RESID 43  AND NAME HB1  )    2.9   1.1   0.9
ASSIGN (RESID 20  AND NAME HN   ) (RESID 19  AND NAME HB1  )    2.9   1.1   0.9
ASSIGN (RESID 40  AND NAME HN   ) (RESID 40  AND NAME HG2* )    3.1   1.3   0.9
ASSIGN (RESID 41  AND NAME HN   ) (RESID 40  AND NAME HG2* )    4.3   2.5   1.3
ASSIGN (RESID 8   AND NAME HN   ) (RESID 9   AND NAME HG2* )    4.6   2.8   1.4
ASSIGN (RESID 9   AND NAME HN   ) (RESID 9   AND NAME HG2* )    3.2   1.4   1.0
ASSIGN (RESID 10  AND NAME HN   ) (RESID 9   AND NAME HG2* )    4.0   2.2   1.2
ASSIGN (RESID 24  AND NAME HN   ) (RESID 23  AND NAME HG2* )    4.1   2.3   1.2
ASSIGN (RESID 55  AND NAME HN   ) (RESID 54  AND NAME HG2* )    4.0   2.2   1.2
ASSIGN (RESID 33  AND NAME HN   ) (RESID 33  AND NAME HG2* )    3.2   1.4   1.0
ASSIGN (RESID 41  AND NAME HN   ) (RESID 40  AND NAME HG1* )    3.8   2.0   1.2
ASSIGN (RESID 2   AND NAME HN   ) (RESID 2   AND NAME HG2* )    3.2   1.4   1.0
ASSIGN (RESID 3   AND NAME HN   ) (RESID 2   AND NAME HG2* )    4.2   2.4   1.3
ASSIGN (RESID 13  AND NAME HN   ) (RESID 43  AND NAME HD2* )    4.1   2.3   1.2
ASSIGN (RESID 44  AND NAME HN   ) (RESID 40  AND NAME HG1* )    4.0   2.2   1.2
ASSIGN (RESID 51  AND NAME HN   ) (RESID 19  AND NAME HD2* )    4.7   2.9   1.4
ASSIGN (RESID 43  AND NAME HN   ) (RESID 43  AND NAME HD2* )    3.7   1.9   1.1
ASSIGN (RESID 16  AND NAME HN   ) (RESID 43  AND NAME HD2* )    4.6   2.8   1.4
ASSIGN (RESID 16  AND NAME HD21 ) (RESID 43  AND NAME HD2* )    4.2   2.4   1.3
ASSIGN (RESID 47  AND NAME HD22 ) (RESID 19  AND NAME HD2* )    4.7   2.9   1.3
ASSIGN (RESID 5   AND NAME HN   ) (RESID 5   AND NAME HD1* )    3.6   1.8   1.1
ASSIGN (RESID 26  AND NAME HN   ) (RESID 26  AND NAME HD2* )    3.8   2.0   1.2
ASSIGN (RESID 57  AND NAME HN   ) (RESID 57  AND NAME HD2* )    4.0   2.2   1.2
ASSIGN (RESID 27  AND NAME HN   ) (RESID 57  AND NAME HD2* )    3.9   2.1   1.2
ASSIGN (RESID 6   AND NAME HN   ) (RESID 36  AND NAME HD1* )    4.4   2.6   1.3
ASSIGN (RESID 9   AND NAME HN   ) (RESID 9   AND NAME HG1* )    3.8   2.0   1.1
ASSIGN (RESID 37  AND NAME HN   ) (RESID 5   AND NAME HD2* )    3.9   2.1   1.2
ASSIGN (RESID 5   AND NAME HN   ) (RESID 5   AND NAME HD2* )    3.7   1.9   1.1
ASSIGN (RESID 8   AND NAME HN   ) (RESID 5   AND NAME HD2* )    4.6   2.8   1.4
ASSIGN (RESID 13  AND NAME HN   ) (RESID 9   AND NAME HG1* )    4.7   2.9   1.4
ASSIGN (RESID 10  AND NAME HN   ) (RESID 9   AND NAME HG1* )    3.7   1.9   1.1
ASSIGN (RESID 51  AND NAME HN   ) (RESID 19  AND NAME HD1* )    4.5   2.7   1.3
ASSIGN (RESID 58  AND NAME HN   ) (RESID 26  AND NAME HD1* )    3.9   2.1   1.2
ASSIGN (RESID 27  AND NAME HN   ) (RESID 23  AND NAME HG1* )    3.8   2.0   1.1
ASSIGN (RESID 23  AND NAME HN   ) (RESID 23  AND NAME HG1* )    3.6   1.8   1.1
ASSIGN (RESID 43  AND NAME HN   ) (RESID 43  AND NAME HD1* )    4.1   2.3   1.2
ASSIGN (RESID 2   AND NAME HN   ) (RESID 2   AND NAME HG1* )    3.9   2.1   1.2
ASSIGN (RESID 3   AND NAME HN   ) (RESID 2   AND NAME HG1* )    4.0   2.2   1.2
ASSIGN (RESID 16  AND NAME HD21 ) (RESID 43  AND NAME HD1* )    4.6   2.8   1.3
ASSIGN (RESID 55  AND NAME HN   ) (RESID 54  AND NAME HG1* )    3.7   1.9   1.1
ASSIGN (RESID 24  AND NAME HN   ) (RESID 23  AND NAME HG1* )    3.8   2.0   1.1
ASSIGN (RESID 48  AND NAME HN   ) (RESID 47  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 47  AND NAME HN   ) (RESID 47  AND NAME HA   )    2.5   0.7   0.7
ASSIGN (RESID 51  AND NAME HN   ) (RESID 47  AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID 50  AND NAME HN   ) (RESID 47  AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 16  AND NAME HD21 ) (RESID 47  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 47  AND NAME HD21 ) (RESID 47  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 29  AND NAME HN   ) (RESID 28  AND NAME HA   )    2.8   1.0   0.9
ASSIGN (RESID 28  AND NAME HD2  ) (RESID 28  AND NAME HA   )    4.0   2.2   1.2
ASSIGN (RESID 28  AND NAME HN   ) (RESID 28  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 60  AND NAME HN   ) (RESID 59  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 20  AND NAME HN   ) (RESID 16  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 19  AND NAME HN   ) (RESID 16  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 16  AND NAME HN   ) (RESID 16  AND NAME HA   )    2.5   0.7   0.8
ASSIGN (RESID 17  AND NAME HN   ) (RESID 16  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 48  AND NAME HN   ) (RESID 45  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 46  AND NAME HN   ) (RESID 45  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 45  AND NAME HN   ) (RESID 45  AND NAME HA   )    2.5   0.7   0.7
ASSIGN (RESID 49  AND NAME HN   ) (RESID 45  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 48  AND NAME HD*  ) (RESID 45  AND NAME HA   )    4.0   2.2   1.2
ASSIGN (RESID 14  AND NAME HN   ) (RESID 14  AND NAME HA   )    2.5   0.7   0.7
ASSIGN (RESID 16  AND NAME HN   ) (RESID 12  AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID 13  AND NAME HN   ) (RESID 12  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 12  AND NAME HN   ) (RESID 12  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 47  AND NAME HD21 ) (RESID 12  AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 47  AND NAME HD22 ) (RESID 12  AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 32  AND NAME HN   ) (RESID 32  AND NAME HA   )    3.5   1.7   1.0
ASSIGN (RESID 33  AND NAME HN   ) (RESID 32  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 17  AND NAME HN   ) (RESID 17  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 17  AND NAME HD*  ) (RESID 17  AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 17  AND NAME HE*  ) (RESID 17  AND NAME HA   )    4.1   2.3   1.2
ASSIGN (RESID 42  AND NAME HN   ) (RESID 42  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 45  AND NAME HN   ) (RESID 42  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 13  AND NAME HN   ) (RESID 10  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 10  AND NAME HN   ) (RESID 10  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 6   AND NAME HN   ) (RESID 3   AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 57  AND NAME HN   ) (RESID 56  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 61  AND NAME HN   ) (RESID 60  AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 3   AND NAME HN   ) (RESID 3   AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 56  AND NAME HN   ) (RESID 56  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 59  AND NAME HD2  ) (RESID 60  AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 48  AND NAME HD*  ) (RESID 48  AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 48  AND NAME HN   ) (RESID 48  AND NAME HA   )    2.5   0.7   0.8
ASSIGN (RESID 48  AND NAME HE*  ) (RESID 48  AND NAME HA   )    4.6   2.8   1.4
ASSIGN (RESID 51  AND NAME HN   ) (RESID 48  AND NAME HA   )    3.2   1.4   0.9
ASSIGN (RESID 39  AND NAME HN   ) (RESID 39  AND NAME HA   )    2.2   0.4   0.7
ASSIGN (RESID 53  AND NAME HN   ) (RESID 50  AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 47  AND NAME HN   ) (RESID 46  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 30  AND NAME HN   ) (RESID 29  AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 29  AND NAME HN   ) (RESID 29  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 42  AND NAME HN   ) (RESID 39  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 46  AND NAME HN   ) (RESID 46  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 7   AND NAME HN   ) (RESID 7   AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 11  AND NAME HN   ) (RESID 11  AND NAME HA   )    2.3   0.5   0.7
ASSIGN (RESID 12  AND NAME HN   ) (RESID 11  AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 1   AND NAME HN   ) (RESID 1   AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 8   AND NAME HN   ) (RESID 5   AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 20  AND NAME HN   ) (RESID 19  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 22  AND NAME HN   ) (RESID 19  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 49  AND NAME HN   ) (RESID 49  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 48  AND NAME HD*  ) (RESID 49  AND NAME HA   )    4.2   2.4   1.2
ASSIGN (RESID 35  AND NAME HN   ) (RESID 35  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 24  AND NAME HN   ) (RESID 24  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 29  AND NAME HN   ) (RESID 26  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 36  AND NAME HN   ) (RESID 36  AND NAME HA   )    2.3   0.5   0.7
ASSIGN (RESID 18  AND NAME HN   ) (RESID 15  AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 7   AND NAME HN   ) (RESID 4   AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 58  AND NAME HN   ) (RESID 57  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 25  AND NAME HN   ) (RESID 25  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 4   AND NAME HN   ) (RESID 4   AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 9   AND NAME HN   ) (RESID 8   AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 11  AND NAME HN   ) (RESID 8   AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 8   AND NAME HN   ) (RESID 8   AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 12  AND NAME HN   ) (RESID 8   AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID 42  AND NAME HN   ) (RESID 38  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 41  AND NAME HN   ) (RESID 38  AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 38  AND NAME HN   ) (RESID 38  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 13  AND NAME HN   ) (RESID 13  AND NAME HA   )    2.5   0.7   0.8
ASSIGN (RESID 16  AND NAME HN   ) (RESID 13  AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 14  AND NAME HN   ) (RESID 13  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 22  AND NAME HN   ) (RESID 22  AND NAME HA   )    2.2   0.4   0.7
ASSIGN (RESID 25  AND NAME HN   ) (RESID 22  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 24  AND NAME HN   ) (RESID 21  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 21  AND NAME HN   ) (RESID 21  AND NAME HA   )    2.5   0.7   0.8
ASSIGN (RESID 48  AND NAME HN   ) (RESID 44  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 47  AND NAME HD21 ) (RESID 44  AND NAME HA   )    3.5   1.7   1.0
ASSIGN (RESID 47  AND NAME HN   ) (RESID 44  AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 43  AND NAME HN   ) (RESID 43  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 46  AND NAME HN   ) (RESID 43  AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 24  AND NAME HN   ) (RESID 20  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 58  AND NAME HN   ) (RESID 58  AND NAME HA   )    2.2   0.4   0.6
ASSIGN (RESID 19  AND NAME HN   ) (RESID 18  AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 42  AND NAME HN   ) (RESID 41  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 34  AND NAME HN   ) (RESID 34  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 61  AND NAME HN   ) (RESID 58  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 41  AND NAME HN   ) (RESID 41  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 21  AND NAME HN   ) (RESID 18  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 52  AND NAME HN   ) (RESID 52  AND NAME HA   )    2.3   0.5   0.7
ASSIGN (RESID 18  AND NAME HN   ) (RESID 18  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 52  AND NAME HE21 ) (RESID 52  AND NAME HA   )    4.0   2.2   1.1
ASSIGN (RESID 62  AND NAME HN   ) (RESID 62  AND NAME HA*  )    3.1   1.3   0.9
ASSIGN (RESID 31  AND NAME HN   ) (RESID 31  AND NAME HA*  )    3.0   1.2   0.9
ASSIGN (RESID 6   AND NAME HN   ) (RESID 6   AND NAME HA   )    2.3   0.5   0.7
ASSIGN (RESID 9   AND NAME HN   ) (RESID 6   AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 7   AND NAME HN   ) (RESID 6   AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 10  AND NAME HN   ) (RESID 6   AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 58  AND NAME HN   ) (RESID 55  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 56  AND NAME HN   ) (RESID 55  AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 55  AND NAME HN   ) (RESID 55  AND NAME HA   )    2.5   0.7   0.7
ASSIGN (RESID 38  AND NAME HN   ) (RESID 37  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 51  AND NAME HN   ) (RESID 51  AND NAME HA   )    2.5   0.7   0.7
ASSIGN (RESID 54  AND NAME HN   ) (RESID 51  AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 52  AND NAME HN   ) (RESID 51  AND NAME HA   )    2.8   1.0   0.9
ASSIGN (RESID 37  AND NAME HN   ) (RESID 33  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 33  AND NAME HN   ) (RESID 33  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 36  AND NAME HN   ) (RESID 33  AND NAME HA   )    2.8   1.0   0.9
ASSIGN (RESID 44  AND NAME HN   ) (RESID 40  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 40  AND NAME HN   ) (RESID 40  AND NAME HA   )    2.5   0.7   0.7
ASSIGN (RESID 43  AND NAME HN   ) (RESID 40  AND NAME HA   )    2.8   1.0   0.9
ASSIGN (RESID 41  AND NAME HN   ) (RESID 40  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 6   AND NAME HN   ) (RESID 2   AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID 2   AND NAME HN   ) (RESID 2   AND NAME HA   )    2.5   0.7   0.7
ASSIGN (RESID 5   AND NAME HN   ) (RESID 2   AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 3   AND NAME HN   ) (RESID 2   AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 13  AND NAME HN   ) (RESID 9   AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 9   AND NAME HN   ) (RESID 9   AND NAME HA   )    2.5   0.7   0.7
ASSIGN (RESID 12  AND NAME HN   ) (RESID 9   AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 16  AND NAME HN   ) (RESID 16  AND NAME HB2  )    2.3   0.5   0.7
ASSIGN (RESID 16  AND NAME HD21 ) (RESID 16  AND NAME HB2  )    2.5   0.7   0.7
ASSIGN (RESID 16  AND NAME HD22 ) (RESID 16  AND NAME HB2  )    2.9   1.1   0.9
ASSIGN (RESID 17  AND NAME HN   ) (RESID 16  AND NAME HB2  )    2.8   1.0   0.8
ASSIGN (RESID 47  AND NAME HD22 ) (RESID 16  AND NAME HB2  )    2.9   1.1   0.9
ASSIGN (RESID 54  AND NAME HN   ) (RESID 54  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 58  AND NAME HN   ) (RESID 54  AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID 28  AND NAME HN   ) (RESID 28  AND NAME HB2  )    2.4   0.6   0.7
ASSIGN (RESID 29  AND NAME HN   ) (RESID 28  AND NAME HB1  )    2.9   1.1   0.9
ASSIGN (RESID 28  AND NAME HD2  ) (RESID 28  AND NAME HB1  )    3.4   1.6   1.0
ASSIGN (RESID 23  AND NAME HN   ) (RESID 23  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 26  AND NAME HN   ) (RESID 23  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 28  AND NAME HN   ) (RESID 28  AND NAME HB1  )    2.2   0.4   0.6
ASSIGN (RESID 24  AND NAME HN   ) (RESID 23  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 59  AND NAME HN   ) (RESID 59  AND NAME HB2  )    2.2   0.4   0.7
ASSIGN (RESID 59  AND NAME HD2  ) (RESID 59  AND NAME HB2  )    3.1   1.3   0.9
ASSIGN (RESID 61  AND NAME HN   ) (RESID 61  AND NAME HB2  )    2.8   1.0   0.8
ASSIGN (RESID 59  AND NAME HD2  ) (RESID 59  AND NAME HB1  )    3.4   1.6   1.0
ASSIGN (RESID 59  AND NAME HN   ) (RESID 59  AND NAME HB1  )    2.4   0.6   0.7
ASSIGN (RESID 30  AND NAME HN   ) (RESID 30  AND NAME HB2  )    2.8   1.0   0.8
ASSIGN (RESID 48  AND NAME HN   ) (RESID 48  AND NAME HB2  )    2.4   0.6   0.7
ASSIGN (RESID 49  AND NAME HN   ) (RESID 48  AND NAME HB2  )    2.8   1.0   0.8
ASSIGN (RESID 17  AND NAME HN   ) (RESID 17  AND NAME HB2  )    2.4   0.6   0.7
ASSIGN (RESID 18  AND NAME HN   ) (RESID 17  AND NAME HB2  )    3.3   1.5   0.9
ASSIGN (RESID 30  AND NAME HN   ) (RESID 30  AND NAME HB1  )    3.0   1.2   0.9
ASSIGN (RESID 48  AND NAME HN   ) (RESID 48  AND NAME HB1  )    2.4   0.6   0.7
ASSIGN (RESID 49  AND NAME HN   ) (RESID 48  AND NAME HB1  )    2.5   0.7   0.8
ASSIGN (RESID 17  AND NAME HN   ) (RESID 17  AND NAME HB1  )    2.4   0.6   0.7
ASSIGN (RESID 18  AND NAME HN   ) (RESID 17  AND NAME HB1  )    2.6   0.8   0.8
ASSIGN (RESID 48  AND NAME HN   ) (RESID 47  AND NAME HB2  )    2.7   0.9   0.8
ASSIGN (RESID 47  AND NAME HD21 ) (RESID 47  AND NAME HB2  )    2.5   0.7   0.7
ASSIGN (RESID 47  AND NAME HN   ) (RESID 47  AND NAME HB2  )    2.4   0.6   0.7
ASSIGN (RESID 47  AND NAME HD22 ) (RESID 47  AND NAME HB2  )    3.1   1.3   0.9
ASSIGN (RESID 30  AND NAME HN   ) (RESID 30  AND NAME HA   )    2.5   0.8   0.8
ASSIGN (RESID 31  AND NAME HN   ) (RESID 30  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 48  AND NAME HN   ) (RESID 48  AND NAME HD*  )    4.4   2.6   1.3
ASSIGN (RESID 17  AND NAME HN   ) (RESID 17  AND NAME HD*  )    4.3   2.5   1.3
ASSIGN (RESID 15  AND NAME HN   ) (RESID 47  AND NAME HD22 )    3.4   1.6   1.0
ASSIGN (RESID 16  AND NAME HN   ) (RESID 47  AND NAME HD22 )    2.8   1.0   0.9
ASSIGN (RESID 17  AND NAME HE*  ) (RESID 17  AND NAME HD*  )    2.7   0.9   0.8
ASSIGN (RESID 31  AND NAME H1   ) (RESID 31  AND NAME H2   )    1.7   0.0   0.5
ASSIGN (RESID 62  AND NAME H1   ) (RESID 62  AND NAME H2   )    1.7   0.0   0.5
ASSIGN (RESID 26  AND NAME HN   ) (RESID 25  AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID 61  AND NAME HN   ) (RESID 62  AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID 13  AND NAME HN   ) (RESID 14  AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID 15  AND NAME HN   ) (RESID 14  AND NAME HN   )    2.4   0.6   0.7
ASSIGN (RESID 23  AND NAME HN   ) (RESID 22  AND NAME HN   )    2.2   0.4   0.7
ASSIGN (RESID 30  AND NAME HN   ) (RESID 31  AND NAME HN   )    2.5   0.7   0.8
ASSIGN (RESID 61  AND NAME HN   ) (RESID 60  AND NAME HN   )    2.4   0.6   0.7
ASSIGN (RESID 34  AND NAME HN   ) (RESID 35  AND NAME HN   )    2.4   0.6   0.7
ASSIGN (RESID 36  AND NAME HN   ) (RESID 35  AND NAME HN   )    2.4   0.6   0.7
ASSIGN (RESID 42  AND NAME HN   ) (RESID 41  AND NAME HN   )    2.4   0.6   0.7
ASSIGN (RESID 57  AND NAME HN   ) (RESID 56  AND NAME HN   )    2.1   0.3   0.6
ASSIGN (RESID 54  AND NAME HN   ) (RESID 53  AND NAME HN   )    2.3   0.5   0.7
ASSIGN (RESID 51  AND NAME HN   ) (RESID 53  AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID 44  AND NAME HN   ) (RESID 45  AND NAME HN   )    2.5   0.7   0.8
ASSIGN (RESID 47  AND NAME HN   ) (RESID 45  AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID 50  AND NAME HN   ) (RESID 49  AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID 48  AND NAME HN   ) (RESID 49  AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID 9   AND NAME HN   ) (RESID 10  AND NAME HN   )    2.5   0.7   0.8
ASSIGN (RESID 11  AND NAME HN   ) (RESID 10  AND NAME HN   )    2.4   0.6   0.7
ASSIGN (RESID 20  AND NAME HN   ) (RESID 21  AND NAME HN   )    2.5   0.7   0.8
ASSIGN (RESID 12  AND NAME HN   ) (RESID 10  AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID 5   AND NAME HN   ) (RESID 4   AND NAME HN   )    2.4   0.6   0.7
ASSIGN (RESID 54  AND NAME HN   ) (RESID 55  AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID 58  AND NAME HN   ) (RESID 59  AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID 51  AND NAME HN   ) (RESID 52  AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID 27  AND NAME HN   ) (RESID 28  AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID 29  AND NAME HN   ) (RESID 28  AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID 19  AND NAME HN   ) (RESID 18  AND NAME HN   )    2.5   0.7   0.8
ASSIGN (RESID 17  AND NAME HN   ) (RESID 18  AND NAME HN   )    2.5   0.7   0.8
ASSIGN (RESID 47  AND NAME HN   ) (RESID 47  AND NAME HD21 )    3.9   2.1   1.1
ASSIGN (RESID 16  AND NAME HN   ) (RESID 47  AND NAME HD21 )    3.0   1.2   0.9
ASSIGN (RESID 23  AND NAME HN   ) (RESID 24  AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID 6   AND NAME HN   ) (RESID 7   AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID 8   AND NAME HN   ) (RESID 7   AND NAME HN   )    2.4   0.6   0.7
ASSIGN (RESID 25  AND NAME HN   ) (RESID 24  AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID 46  AND NAME HN   ) (RESID 45  AND NAME HN   )    2.4   0.6   0.7
ASSIGN (RESID 3   AND NAME HN   ) (RESID 4   AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID 22  AND NAME HN   ) (RESID 21  AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID 39  AND NAME HN   ) (RESID 38  AND NAME HN   )    3.3   1.5   1.0
ASSIGN (RESID 56  AND NAME HN   ) (RESID 55  AND NAME HN   )    2.4   0.6   0.7
ASSIGN (RESID 60  AND NAME HN   ) (RESID 59  AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID 52  AND NAME HN   ) (RESID 53  AND NAME HN   )    2.3   0.5   0.7
ASSIGN (RESID 58  AND NAME HN   ) (RESID 57  AND NAME HN   )    2.3   0.5   0.7
ASSIGN (RESID 44  AND NAME HN   ) (RESID 43  AND NAME HN   )    2.5   0.7   0.8
ASSIGN (RESID 27  AND NAME HN   ) (RESID 26  AND NAME HN   )    2.5   0.7   0.8
ASSIGN (RESID 47  AND NAME HN   ) (RESID 48  AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID 13  AND NAME HN   ) (RESID 12  AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID 6   AND NAME HN   ) (RESID 5   AND NAME HN   )    2.5   0.7   0.8
ASSIGN (RESID 9   AND NAME HN   ) (RESID 8   AND NAME HN   )    2.5   0.7   0.8
ASSIGN (RESID 47  AND NAME HN   ) (RESID 46  AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID 56  AND NAME HN   ) (RESID 58  AND NAME HN   )    3.1   1.3   0.9
ASSIGN (RESID 41  AND NAME HN   ) (RESID 40  AND NAME HN   )    2.2   0.4   0.6
ASSIGN (RESID 38  AND NAME HN   ) (RESID 37  AND NAME HN   )    2.3   0.5   0.7
ASSIGN (RESID 14  AND NAME HN   ) (RESID 16  AND NAME HN   )    3.2   1.4   1.0
ASSIGN (RESID 3   AND NAME HN   ) (RESID 2   AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID 37  AND NAME HN   ) (RESID 36  AND NAME HN   )    2.4   0.6   0.7
ASSIGN (RESID 30  AND NAME HN   ) (RESID 29  AND NAME HN   )    2.4   0.6   0.7
ASSIGN (RESID 43  AND NAME HN   ) (RESID 42  AND NAME HN   )    2.4   0.6   0.7
ASSIGN (RESID 1   AND NAME HN   ) (RESID 2   AND NAME HN   )    5.5   3.7   1.7
ASSIGN (RESID 51  AND NAME HN   ) (RESID 50  AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID 19  AND NAME HN   ) (RESID 20  AND NAME HN   )    2.3   0.5   0.7
ASSIGN (RESID 47  AND NAME HN   ) (RESID 43  AND NAME HD2* )    4.8   3.0   1.4
ASSIGN (RESID 6   AND NAME HN   ) (RESID 2   AND NAME HG1* )    3.8   2.0   1.2
ASSIGN (RESID 9   AND NAME HN   ) (RESID 40  AND NAME HG1* )    5.2   3.4   1.6
ASSIGN (RESID 20  AND NAME HN   ) (RESID 23  AND NAME HG2* )    4.8   3.0   1.4
ASSIGN (RESID 51  AND NAME HN   ) (RESID 54  AND NAME HG2* )    4.7   2.9   1.4
ASSIGN (RESID 40  AND NAME HN   ) (RESID 40  AND NAME HG1* )    3.7   1.9   1.1
ASSIGN (RESID 19  AND NAME HN   ) (RESID 19  AND NAME HD2* )    3.6   1.8   1.1
ASSIGN (RESID 34  AND NAME HN   ) (RESID 33  AND NAME HG1* )    3.5   1.7   1.0
ASSIGN (RESID 12  AND NAME HN   ) (RESID 43  AND NAME HD2* )    4.9   3.1   1.5
ASSIGN (RESID 36  AND NAME HN   ) (RESID 40  AND NAME HG2* )    5.4   3.6   1.6
ASSIGN (RESID 5   AND NAME HN   ) (RESID 2   AND NAME HG1* )    5.4   3.6   1.6
ASSIGN (RESID 42  AND NAME HN   ) (RESID 40  AND NAME HG1* )    5.1   3.3   1.5
ASSIGN (RESID 25  AND NAME HN   ) (RESID 23  AND NAME HG1* )    4.9   3.1   1.5
ASSIGN (RESID 16  AND NAME HD22 ) (RESID 43  AND NAME HD2* )    4.8   3.0   1.4
ASSIGN (RESID 56  AND NAME HN   ) (RESID 57  AND NAME HD1* )    4.9   3.1   1.5
ASSIGN (RESID 19  AND NAME HN   ) (RESID 19  AND NAME HD1* )    3.7   1.9   1.1
ASSIGN (RESID 7   AND NAME HN   ) (RESID 7   AND NAME HG1  )    2.4   0.6   0.7
ASSIGN (RESID 5   AND NAME HN   ) (RESID 3   AND NAME HB*  )    5.0   3.2   1.5
ASSIGN (RESID 26  AND NAME HN   ) (RESID 24  AND NAME HB*  )    4.8   3.0   1.4
ASSIGN (RESID 51  AND NAME HN   ) (RESID 51  AND NAME HG*  )    4.0   2.2   1.2
ASSIGN (RESID 6   AND NAME HN   ) (RESID 3   AND NAME HB*  )    4.6   2.8   1.4
ASSIGN (RESID 27  AND NAME HN   ) (RESID 24  AND NAME HB*  )    4.7   2.9   1.4
ASSIGN (RESID 47  AND NAME HN   ) (RESID 50  AND NAME HB*  )    4.6   2.8   1.4
ASSIGN (RESID 13  AND NAME HN   ) (RESID 14  AND NAME HB*  )    4.6   2.8   1.4
ASSIGN (RESID 44  AND NAME HN   ) (RESID 12  AND NAME HB*  )    4.4   2.6   1.3
ASSIGN (RESID 16  AND NAME HN   ) (RESID 14  AND NAME HB*  )    5.1   3.3   1.5
ASSIGN (RESID 16  AND NAME HN   ) (RESID 12  AND NAME HB*  )    3.9   2.1   1.2
ASSIGN (RESID 39  AND NAME HN   ) (RESID 35  AND NAME HB*  )    4.7   2.9   1.4
ASSIGN (RESID 38  AND NAME HN   ) (RESID 38  AND NAME HD1  )    3.0   1.2   0.9
ASSIGN (RESID 7   AND NAME HN   ) (RESID 7   AND NAME HD*  )    4.5   2.7   1.4
ASSIGN (RESID 7   AND NAME HN   ) (RESID 10  AND NAME HB*  )    5.1   3.3   1.5
ASSIGN (RESID 16  AND NAME HD22 ) (RESID 46  AND NAME HG1  )    3.3   1.5   1.0
ASSIGN (RESID 48  AND NAME HD*  ) (RESID 51  AND NAME HD*  )    4.6   2.8   1.4
ASSIGN (RESID 47  AND NAME HD22 ) (RESID 12  AND NAME HB*  )    3.6   1.8   1.1
ASSIGN (RESID 52  AND NAME HN   ) (RESID 51  AND NAME HB2  )    2.6   0.8   0.8
ASSIGN (RESID 36  AND NAME HN   ) (RESID 36  AND NAME HG   )    2.2   0.4   0.7
ASSIGN (RESID 37  AND NAME HN   ) (RESID 37  AND NAME HB2  )    2.3   0.5   0.7
ASSIGN (RESID 27  AND NAME HN   ) (RESID 26  AND NAME HB2  )    2.5   0.7   0.8
ASSIGN (RESID 44  AND NAME HN   ) (RESID 44  AND NAME HB2  )    2.1   0.3   0.6
ASSIGN (RESID 37  AND NAME HN   ) (RESID 36  AND NAME HB2  )    2.4   0.6   0.7
ASSIGN (RESID 36  AND NAME HN   ) (RESID 36  AND NAME HB2  )    2.0   0.2   0.6
ASSIGN (RESID 35  AND NAME HN   ) (RESID 34  AND NAME HB1  )    2.7   0.9   0.8
ASSIGN (RESID 56  AND NAME HN   ) (RESID 55  AND NAME HB*  )    3.1   1.3   0.9
ASSIGN (RESID 28  AND NAME HN   ) (RESID 27  AND NAME HB2  )    2.1   0.3   0.6
ASSIGN (RESID 55  AND NAME HN   ) (RESID 54  AND NAME HB   )    2.0   0.2   0.6
ASSIGN (RESID 52  AND NAME HE21 ) (RESID 52  AND NAME HB*  )    3.6   1.8   1.1
ASSIGN (RESID 47  AND NAME HD22 ) (RESID 15  AND NAME HG1  )    3.6   1.8   1.1
ASSIGN (RESID 52  AND NAME HE21 ) (RESID 52  AND NAME HG*  )    3.9   2.1   1.2
ASSIGN (RESID 21  AND NAME HE21 ) (RESID 21  AND NAME HB*  )    4.2   2.4   1.3
ASSIGN (RESID 4   AND NAME HN   ) (RESID 4   AND NAME HB2  )    2.3   0.5   0.7
ASSIGN (RESID 41  AND NAME HN   ) (RESID 41  AND NAME HB*  )    2.8   1.0   0.8
ASSIGN (RESID 22  AND NAME HN   ) (RESID 22  AND NAME HG1  )    3.7   1.9   1.0
ASSIGN (RESID 3   AND NAME HN   ) (RESID 6   AND NAME HB2  )    4.3   2.5   1.3
ASSIGN (RESID 15  AND NAME HN   ) (RESID 15  AND NAME HG1  )    2.9   1.1   0.8
ASSIGN (RESID 26  AND NAME HN   ) (RESID 25  AND NAME HB2  )    2.9   1.1   0.9
ASSIGN (RESID 1   AND NAME HN   ) (RESID 1   AND NAME HG1  )    4.4   2.6   1.3
ASSIGN (RESID 32  AND NAME HN   ) (RESID 32  AND NAME HG1  )    5.0   3.2   1.5
ASSIGN (RESID 1   AND NAME HN   ) (RESID 1   AND NAME HG2  )    4.4   2.6   1.3
ASSIGN (RESID 32  AND NAME HN   ) (RESID 32  AND NAME HG2  )    4.3   2.5   1.3
ASSIGN (RESID 51  AND NAME HN   ) (RESID 52  AND NAME HB*  )    4.6   2.8   1.4
ASSIGN (RESID 26  AND NAME HN   ) (RESID 26  AND NAME HB2  )    2.4   0.6   0.7
ASSIGN (RESID 33  AND NAME HN   ) (RESID 33  AND NAME HB   )    2.0   0.2   0.6
ASSIGN (RESID 10  AND NAME HN   ) (RESID 9   AND NAME HB   )    2.2   0.4   0.7
ASSIGN (RESID 9   AND NAME HN   ) (RESID 8   AND NAME HG2  )    3.5   1.7   1.1
ASSIGN (RESID 58  AND NAME HN   ) (RESID 58  AND NAME HD1  )    3.5   1.7   1.0
ASSIGN (RESID 58  AND NAME HN   ) (RESID 58  AND NAME HD2  )    3.7   1.9   1.1
ASSIGN (RESID 28  AND NAME HD2  ) (RESID 28  AND NAME HB2  )    3.1   1.3   0.9
ASSIGN (RESID 47  AND NAME HD21 ) (RESID 16  AND NAME HB2  )    3.4   1.6   1.0
ASSIGN (RESID 10  AND NAME HN   ) (RESID 9   AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 42  AND NAME HN   ) (RESID 40  AND NAME HA   )    3.5   1.7   1.1
ASSIGN (RESID 11  AND NAME HN   ) (RESID 9   AND NAME HA   )    3.6   1.8   1.0
ASSIGN (RESID 47  AND NAME HN   ) (RESID 48  AND NAME HB2  )    3.7   1.9   1.1
ASSIGN (RESID 27  AND NAME HN   ) (RESID 28  AND NAME HB2  )    4.0   2.2   1.2
ASSIGN (RESID 35  AND NAME HN   ) (RESID 33  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 62  AND NAME H1   ) (RESID 62  AND NAME HA*  )    4.5   2.7   1.3
ASSIGN (RESID 8   AND NAME HN   ) (RESID 6   AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 29  AND NAME HN   ) (RESID 27  AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID 36  AND NAME HN   ) (RESID 37  AND NAME HA   )    4.0   2.2   1.2
ASSIGN (RESID 23  AND NAME HN   ) (RESID 20  AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 27  AND NAME HN   ) (RESID 27  AND NAME HA   )    2.2   0.4   0.7
ASSIGN (RESID 44  AND NAME HN   ) (RESID 44  AND NAME HA   )    2.5   0.7   0.8
ASSIGN (RESID 19  AND NAME HN   ) (RESID 19  AND NAME HA   )    2.3   0.5   0.7
ASSIGN (RESID 23  AND NAME HN   ) (RESID 22  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 16  AND NAME HN   ) (RESID 15  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 61  AND NAME HN   ) (RESID 57  AND NAME HA   )    3.5   1.7   1.0
ASSIGN (RESID 50  AND NAME HN   ) (RESID 49  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 5   AND NAME HN   ) (RESID 5   AND NAME HA   )    2.3   0.5   0.7
ASSIGN (RESID 60  AND NAME HN   ) (RESID 57  AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 56  AND NAME HN   ) (RESID 53  AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 16  AND NAME HD22 ) (RESID 43  AND NAME HA   )    3.6   1.8   1.1
ASSIGN (RESID 28  AND NAME HD2  ) (RESID 25  AND NAME HA   )    3.9   2.1   1.2
ASSIGN (RESID 28  AND NAME HD2  ) (RESID 29  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 18  AND NAME HN   ) (RESID 17  AND NAME HA   )    2.8   1.0   0.9
ASSIGN (RESID 4   AND NAME HN   ) (RESID 3   AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 49  AND NAME HN   ) (RESID 46  AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 14  AND NAME HN   ) (RESID 10  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 46  AND NAME HN   ) (RESID 42  AND NAME HA   )    3.5   1.7   1.1
ASSIGN (RESID 11  AND NAME HN   ) (RESID 10  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 11  AND NAME HN   ) (RESID 12  AND NAME HA   )    3.9   2.1   1.2
ASSIGN (RESID 30  AND NAME HN   ) (RESID 26  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 54  AND NAME HN   ) (RESID 50  AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 43  AND NAME HN   ) (RESID 42  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 47  AND NAME HN   ) (RESID 45  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 47  AND NAME HD21 ) (RESID 16  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 49  AND NAME HN   ) (RESID 47  AND NAME HA   )    3.6   1.8   1.1
ASSIGN (RESID 59  AND NAME HN   ) (RESID 59  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 59  AND NAME HD2  ) (RESID 59  AND NAME HA   )    3.5   1.7   1.1
ASSIGN (RESID 16  AND NAME HD22 ) (RESID 47  AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 47  AND NAME HD22 ) (RESID 16  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 17  AND NAME HD*  ) (RESID 21  AND NAME HE22 )    4.6   2.8   1.4
ASSIGN (RESID 49  AND NAME HN   ) (RESID 48  AND NAME HD*  )    4.1   2.3   1.2
ASSIGN (RESID 18  AND NAME HN   ) (RESID 17  AND NAME HD*  )    4.2   2.4   1.3
ASSIGN (RESID 21  AND NAME HN   ) (RESID 21  AND NAME HE21 )    4.5   2.7   1.3
ASSIGN (RESID 29  AND NAME HN   ) (RESID 28  AND NAME HD2  )    4.3   2.5   1.3
ASSIGN (RESID 59  AND NAME HE1  ) (RESID 59  AND NAME HD2  )    4.5   2.7   1.3
ASSIGN (RESID 47  AND NAME HN   ) (RESID 16  AND NAME HD22 )    3.9   2.1   1.2
ASSIGN (RESID 9   AND NAME HN   ) (RESID 7   AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID 5   AND NAME HN   ) (RESID 7   AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID 8   AND NAME HN   ) (RESID 10  AND NAME HN   )    3.5   1.7   1.0
ASSIGN (RESID 22  AND NAME HN   ) (RESID 24  AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID 10  AND NAME HN   ) (RESID 7   AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID 4   AND NAME HN   ) (RESID 7   AND NAME HN   )    4.0   2.2   1.2
ASSIGN (RESID 26  AND NAME HN   ) (RESID 24  AND NAME HN   )    3.5   1.7   1.1
ASSIGN (RESID 50  AND NAME HN   ) (RESID 52  AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID 1   AND NAME HN   ) (RESID 4   AND NAME HN   )    5.1   3.3   1.5
ASSIGN (RESID 20  AND NAME HN   ) (RESID 18  AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID 6   AND NAME HN   ) (RESID 4   AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID 47  AND NAME HN   ) (RESID 16  AND NAME HD21 )    3.8   2.0   1.1
ASSIGN (RESID 13  AND NAME HN   ) (RESID 10  AND NAME HN   )    3.8   2.0   1.1
ASSIGN (RESID 27  AND NAME HN   ) (RESID 25  AND NAME HN   )    3.5   1.7   1.0
ASSIGN (RESID 20  AND NAME HN   ) (RESID 22  AND NAME HN   )    3.3   1.5   1.0
ASSIGN (RESID 40  AND NAME HN   ) (RESID 39  AND NAME HN   )    2.2   0.4   0.7
ASSIGN (RESID 51  AND NAME HN   ) (RESID 49  AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID 43  AND NAME HN   ) (RESID 41  AND NAME HN   )    3.5   1.7   1.1
ASSIGN (RESID 36  AND NAME HN   ) (RESID 38  AND NAME HN   )    3.5   1.7   1.0
ASSIGN (RESID 12  AND NAME HN   ) (RESID 14  AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID 42  AND NAME HN   ) (RESID 39  AND NAME HN   )    4.2   2.4   1.3
ASSIGN (RESID 3   AND NAME HN   ) (RESID 5   AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID 48  AND NAME HN   ) (RESID 46  AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID 29  AND NAME HN   ) (RESID 31  AND NAME HN   )    3.8   2.0   1.1
ASSIGN (RESID 11  AND NAME HN   ) (RESID 8   AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID 34  AND NAME HN   ) (RESID 36  AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID 43  AND NAME HN   ) (RESID 46  AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID 44  AND NAME HN   ) (RESID 46  AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID 44  AND NAME HN   ) (RESID 42  AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID 20  AND NAME HN   ) (RESID 17  AND NAME HN   )    4.2   2.4   1.2
ASSIGN (RESID 40  AND NAME HN   ) (RESID 42  AND NAME HN   )    3.5   1.7   1.1
ASSIGN (RESID 6   AND NAME HN   ) (RESID 8   AND NAME HN   )    3.5   1.7   1.0
ASSIGN (RESID 13  AND NAME HN   ) (RESID 15  AND NAME HN   )    3.5   1.7   1.1
ASSIGN (RESID 13  AND NAME HN   ) (RESID 11  AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID 27  AND NAME HN   ) (RESID 29  AND NAME HN   )    3.8   2.0   1.1
ASSIGN (RESID 9   AND NAME HN   ) (RESID 11  AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID 11  AND NAME HN   ) (RESID 12  AND NAME HN   )    2.3   0.5   0.7
ASSIGN (RESID 3   AND NAME HN   ) (RESID 1   AND NAME HN   )    4.9   3.1   1.5
ASSIGN (RESID 28  AND NAME HN   ) (RESID 26  AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID 25  AND NAME HN   ) (RESID 23  AND NAME HN   )    3.8   2.0   1.1
ASSIGN (RESID 47  AND NAME HN   ) (RESID 50  AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID 47  AND NAME HN   ) (RESID 44  AND NAME HN   )    3.8   2.0   1.1
ASSIGN (RESID 60  AND NAME HN   ) (RESID 58  AND NAME HN   )    3.3   1.5   1.0
ASSIGN (RESID 49  AND NAME HN   ) (RESID 47  AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID 3   AND NAME HN   ) (RESID 6   AND NAME HN   )    4.0   2.2   1.2
ASSIGN (RESID 13  AND NAME HG2  ) (RESID 13  AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID 45  AND NAME HB*  ) (RESID 47  AND NAME HN   )    5.4   3.6   1.6
ASSIGN (RESID 9   AND NAME HG2* ) (RESID 6   AND NAME HN   )    4.9   3.1   1.5
ASSIGN (RESID 43  AND NAME HD1* ) (RESID 13  AND NAME HN   )    4.9   3.1   1.5
ASSIGN (RESID 19  AND NAME HD1* ) (RESID 20  AND NAME HN   )    4.6   2.8   1.4
ASSIGN (RESID 40  AND NAME HG2* ) (RESID 9   AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID 45  AND NAME HB*  ) (RESID 44  AND NAME HN   )    5.0   3.2   1.5
ASSIGN (RESID 58  AND NAME HB2  ) (RESID 58  AND NAME HN   )    2.2   0.4   0.7
ASSIGN (RESID 8   AND NAME HG1  ) (RESID 9   AND NAME HN   )    3.0   1.2   0.9
ASSIGN (RESID 57  AND NAME HA   ) (RESID 57  AND NAME HN   )    2.4   0.6   0.7
ASSIGN (RESID 22  AND NAME HB*  ) (RESID 23  AND NAME HN   )    2.9   1.1   0.9
ASSIGN (RESID 54  AND NAME HB   ) (RESID 54  AND NAME HN   )    2.1   0.3   0.6
ASSIGN (RESID 53  AND NAME HB2  ) (RESID 54  AND NAME HN   )    2.3   0.5   0.7
ASSIGN (RESID 37  AND NAME HG*  ) (RESID 37  AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID 33  AND NAME HG1* ) (RESID 33  AND NAME HN   )    3.5   1.7   1.0
ASSIGN (RESID 9   AND NAME HG1* ) (RESID 12  AND NAME HN   )    5.2   3.4   1.6
ASSIGN (RESID 42  AND NAME HB*  ) (RESID 43  AND NAME HN   )    3.2   1.4   0.9
ASSIGN (RESID 45  AND NAME HB*  ) (RESID 48  AND NAME HN   )    4.5   2.7   1.4
ASSIGN (RESID 1   AND NAME HB2  ) (RESID 2   AND NAME HN   )    3.3   1.5   1.0
ASSIGN (RESID 29  AND NAME HB2  ) (RESID 29  AND NAME HN   )    2.3   0.5   0.7
ASSIGN (RESID 25  AND NAME HB1  ) (RESID 26  AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID 26  AND NAME HA   ) (RESID 26  AND NAME HN   )    2.3   0.5   0.7
ASSIGN (RESID 44  AND NAME HA   ) (RESID 46  AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID 15  AND NAME HN   ) (RESID 15  AND NAME HG2  )    4.0   2.2   1.2
ASSIGN (RESID 33  AND NAME HB   ) (RESID 34  AND NAME HN   )    2.0   0.2   0.6
ASSIGN (RESID 14  AND NAME HB*  ) (RESID 11  AND NAME HN   )    4.7   2.9   1.4
ASSIGN (RESID 36  AND NAME HD1* ) (RESID 36  AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID 60  AND NAME HB1  ) (RESID 60  AND NAME HN   )    2.4   0.6   0.7
ASSIGN (RESID 34  AND NAME HG*  ) (RESID 35  AND NAME HN   )    4.2   2.4   1.3
ASSIGN (RESID 52  AND NAME HB*  ) (RESID 53  AND NAME HN   )    3.3   1.5   1.0
ASSIGN (RESID 60  AND NAME HA   ) (RESID 60  AND NAME HN   )    2.3   0.5   0.7
ASSIGN (RESID 36  AND NAME HA   ) (RESID 39  AND NAME HN   )    2.4   0.6   0.7
ASSIGN (RESID 52  AND NAME HA   ) (RESID 53  AND NAME HN   )    2.8   1.0   0.8
ASSIGN (RESID 4   AND NAME HG*  ) (RESID 4   AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID 55  AND NAME HB*  ) (RESID 55  AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID 20  AND NAME HB*  ) (RESID 21  AND NAME HN   )    3.2   1.4   1.0
ASSIGN (RESID 38  AND NAME HB*  ) (RESID 38  AND NAME HN   )    2.9   1.1   0.9
ASSIGN (RESID 24  AND NAME HB*  ) (RESID 22  AND NAME HN   )    4.6   2.8   1.4
ASSIGN (RESID 3   AND NAME HB*  ) (RESID 7   AND NAME HN   )    4.4   2.6   1.3
ASSIGN (RESID 15  AND NAME HG1  ) (RESID 47  AND NAME HD21 )    4.4   2.6   1.3
ASSIGN (RESID 21  AND NAME HB*  ) (RESID 21  AND NAME HE22 )    4.8   3.0   1.4
ASSIGN (RESID 30  AND NAME HB1  ) (RESID 30  AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 30  AND NAME HB2  ) (RESID 30  AND NAME HA   )    2.5   0.7   0.8
ASSIGN (RESID 61  AND NAME HB2  ) (RESID 30  AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID 28  AND NAME HB2  ) (RESID 28  AND NAME HA   )    2.5   0.7   0.7
ASSIGN (RESID 59  AND NAME HB1  ) (RESID 59  AND NAME HA   )    2.3   0.5   0.7
ASSIGN (RESID 59  AND NAME HB2  ) (RESID 59  AND NAME HA   )    2.1   0.3   0.6
ASSIGN (RESID 47  AND NAME HB2  ) (RESID 47  AND NAME HA   )    2.5   0.7   0.7
ASSIGN (RESID 47  AND NAME HB1  ) (RESID 47  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 46  AND NAME HB*  ) (RESID 47  AND NAME HA   )    4.4   2.6   1.3
ASSIGN (RESID 50  AND NAME HB*  ) (RESID 47  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 19  AND NAME HD1* ) (RESID 16  AND NAME HA   )    4.9   3.1   1.5
ASSIGN (RESID 19  AND NAME HD2* ) (RESID 16  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 43  AND NAME HD2* ) (RESID 12  AND NAME HA   )    4.5   2.7   1.3
ASSIGN (RESID 50  AND NAME HB*  ) (RESID 16  AND NAME HA   )    4.4   2.6   1.3
ASSIGN (RESID 12  AND NAME HB*  ) (RESID 12  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 14  AND NAME HB*  ) (RESID 14  AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 45  AND NAME HB*  ) (RESID 45  AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 42  AND NAME HB*  ) (RESID 42  AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 19  AND NAME HB2  ) (RESID 16  AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 32  AND NAME HA   ) (RESID 32  AND NAME HB2  )    2.8   1.0   0.8
ASSIGN (RESID 32  AND NAME HA   ) (RESID 32  AND NAME HB1  )    2.8   1.0   0.8
ASSIGN (RESID 32  AND NAME HG1  ) (RESID 32  AND NAME HA   )    3.5   1.7   1.1
ASSIGN (RESID 32  AND NAME HG2  ) (RESID 32  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 16  AND NAME HB1  ) (RESID 16  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 48  AND NAME HB1  ) (RESID 45  AND NAME HA   )    2.9   1.1   0.8
ASSIGN (RESID 17  AND NAME HB2  ) (RESID 17  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 48  AND NAME HB2  ) (RESID 45  AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 16  AND NAME HB2  ) (RESID 16  AND NAME HA   )    2.2   0.4   0.7
ASSIGN (RESID 16  AND NAME HB2  ) (RESID 13  AND NAME HA   )    2.5   0.7   0.7
ASSIGN (RESID 48  AND NAME HB2  ) (RESID 48  AND NAME HA   )    2.2   0.4   0.6
ASSIGN (RESID 39  AND NAME HD2  ) (RESID 39  AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 59  AND NAME HB2  ) (RESID 56  AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 28  AND NAME HB1  ) (RESID 25  AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 48  AND NAME HB1  ) (RESID 48  AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 39  AND NAME HD1  ) (RESID 39  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 47  AND NAME HB2  ) (RESID 44  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 17  AND NAME HB1  ) (RESID 17  AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 16  AND NAME HB1  ) (RESID 13  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 47  AND NAME HB1  ) (RESID 44  AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 11  AND NAME HG2  ) (RESID 11  AND NAME HA   )    3.3   1.5   0.9
ASSIGN (RESID 6   AND NAME HG2  ) (RESID 3   AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 13  AND NAME HG2  ) (RESID 10  AND NAME HA   )    4.2   2.4   1.3
ASSIGN (RESID 13  AND NAME HG2  ) (RESID 13  AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID 4   AND NAME HG*  ) (RESID 4   AND NAME HA   )    3.5   1.7   1.1
ASSIGN (RESID 11  AND NAME HG1  ) (RESID 11  AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 15  AND NAME HG2  ) (RESID 15  AND NAME HA   )    3.9   2.1   1.2
ASSIGN (RESID 22  AND NAME HG2  ) (RESID 22  AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 1   AND NAME HG2  ) (RESID 1   AND NAME HA   )    3.2   1.4   0.9
ASSIGN (RESID 29  AND NAME HG1  ) (RESID 29  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 6   AND NAME HB2  ) (RESID 3   AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 13  AND NAME HB2  ) (RESID 10  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 11  AND NAME HB2  ) (RESID 11  AND NAME HA   )    2.5   0.7   0.7
ASSIGN (RESID 29  AND NAME HB1  ) (RESID 29  AND NAME HA   )    2.5   0.7   0.7
ASSIGN (RESID 4   AND NAME HB2  ) (RESID 4   AND NAME HA   )    2.3   0.5   0.7
ASSIGN (RESID 25  AND NAME HB2  ) (RESID 25  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 21  AND NAME HB*  ) (RESID 21  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 1   AND NAME HB2  ) (RESID 1   AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID 39  AND NAME HB2  ) (RESID 39  AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 53  AND NAME HB1  ) (RESID 53  AND NAME HA   )    2.2   0.4   0.7
ASSIGN (RESID 5   AND NAME HB2  ) (RESID 5   AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 7   AND NAME HB*  ) (RESID 7   AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 46  AND NAME HB*  ) (RESID 46  AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 38  AND NAME HB*  ) (RESID 38  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 44  AND NAME HB1  ) (RESID 44  AND NAME HA   )    2.5   0.7   0.8
ASSIGN (RESID 57  AND NAME HG   ) (RESID 57  AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 44  AND NAME HB2  ) (RESID 44  AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 51  AND NAME HB2  ) (RESID 48  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 44  AND NAME HD1  ) (RESID 44  AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 44  AND NAME HD2  ) (RESID 44  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 38  AND NAME HD1  ) (RESID 38  AND NAME HA   )    3.9   2.1   1.2
ASSIGN (RESID 7   AND NAME HD*  ) (RESID 4   AND NAME HA   )    4.1   2.3   1.2
ASSIGN (RESID 7   AND NAME HD*  ) (RESID 7   AND NAME HA   )    3.9   2.1   1.2
ASSIGN (RESID 7   AND NAME HG2  ) (RESID 7   AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 35  AND NAME HB*  ) (RESID 35  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 50  AND NAME HB*  ) (RESID 50  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 56  AND NAME HB*  ) (RESID 53  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 10  AND NAME HB*  ) (RESID 7   AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 49  AND NAME HB*  ) (RESID 49  AND NAME HA   )    2.8   1.0   0.9
ASSIGN (RESID 42  AND NAME HB*  ) (RESID 39  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 10  AND NAME HB*  ) (RESID 10  AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 24  AND NAME HB*  ) (RESID 24  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 3   AND NAME HB*  ) (RESID 3   AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 19  AND NAME HB1  ) (RESID 19  AND NAME HA   )    2.5   0.7   0.8
ASSIGN (RESID 9   AND NAME HG2* ) (RESID 36  AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID 43  AND NAME HD2* ) (RESID 13  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 36  AND NAME HD2* ) (RESID 36  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 40  AND NAME HG2* ) (RESID 5   AND NAME HA   )    4.4   2.6   1.3
ASSIGN (RESID 23  AND NAME HG2* ) (RESID 19  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 23  AND NAME HG2* ) (RESID 50  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 57  AND NAME HD2* ) (RESID 57  AND NAME HA   )    3.9   2.1   1.2
ASSIGN (RESID 19  AND NAME HD2* ) (RESID 19  AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID 9   AND NAME HG1* ) (RESID 10  AND NAME HA   )    3.9   2.1   1.2
ASSIGN (RESID 2   AND NAME HG1* ) (RESID 3   AND NAME HA   )    3.9   2.1   1.2
ASSIGN (RESID 5   AND NAME HD2* ) (RESID 5   AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 43  AND NAME HD1* ) (RESID 13  AND NAME HA   )    4.0   2.2   1.2
ASSIGN (RESID 23  AND NAME HG1* ) (RESID 24  AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID 33  AND NAME HG1* ) (RESID 34  AND NAME HA   )    3.5   1.7   1.0
ASSIGN (RESID 54  AND NAME HG1* ) (RESID 51  AND NAME HA   )    4.1   2.3   1.2
ASSIGN (RESID 54  AND NAME HG1* ) (RESID 55  AND NAME HA   )    3.9   2.1   1.2
ASSIGN (RESID 19  AND NAME HD1* ) (RESID 51  AND NAME HA   )    3.5   1.7   1.1
ASSIGN (RESID 57  AND NAME HD2* ) (RESID 27  AND NAME HA   )    4.0   2.2   1.2
ASSIGN (RESID 5   AND NAME HD1* ) (RESID 37  AND NAME HA   )    3.9   2.1   1.2
ASSIGN (RESID 36  AND NAME HD2* ) (RESID 6   AND NAME HA   )    3.9   2.1   1.2
ASSIGN (RESID 19  AND NAME HD2* ) (RESID 51  AND NAME HA   )    4.5   2.7   1.4
ASSIGN (RESID 40  AND NAME HG1* ) (RESID 37  AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID 9   AND NAME HG2* ) (RESID 6   AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 40  AND NAME HG2* ) (RESID 37  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 23  AND NAME HG2* ) (RESID 20  AND NAME HA   )    3.6   1.8   1.1
ASSIGN (RESID 40  AND NAME HG1* ) (RESID 41  AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID 43  AND NAME HD2* ) (RESID 43  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 26  AND NAME HD2* ) (RESID 58  AND NAME HA   )    4.0   2.2   1.2
ASSIGN (RESID 43  AND NAME HB1  ) (RESID 43  AND NAME HA   )    2.5   0.7   0.7
ASSIGN (RESID 51  AND NAME HG*  ) (RESID 51  AND NAME HA   )    3.5   1.7   1.0
ASSIGN (RESID 37  AND NAME HG*  ) (RESID 37  AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID 50  AND NAME HB*  ) (RESID 51  AND NAME HA   )    4.6   2.8   1.4
ASSIGN (RESID 38  AND NAME HG*  ) (RESID 38  AND NAME HA   )    5.5   3.7   1.7
ASSIGN (RESID 42  AND NAME HB*  ) (RESID 43  AND NAME HA   )    4.4   2.6   1.3
ASSIGN (RESID 58  AND NAME HG*  ) (RESID 58  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 51  AND NAME HD*  ) (RESID 51  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 58  AND NAME HB1  ) (RESID 58  AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 43  AND NAME HA   ) (RESID 43  AND NAME HG   )    2.4   0.6   0.7
ASSIGN (RESID 27  AND NAME HB1  ) (RESID 27  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 58  AND NAME HB2  ) (RESID 55  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 51  AND NAME HB1  ) (RESID 51  AND NAME HA   )    2.5   0.7   0.7
ASSIGN (RESID 51  AND NAME HB2  ) (RESID 51  AND NAME HA   )    2.5   0.7   0.8
ASSIGN (RESID 37  AND NAME HB2  ) (RESID 37  AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 54  AND NAME HB   ) (RESID 51  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 27  AND NAME HB2  ) (RESID 27  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 9   AND NAME HB   ) (RESID 6   AND NAME HA   )    2.0   0.2   0.6
ASSIGN (RESID 23  AND NAME HB   ) (RESID 20  AND NAME HA   )    2.5   0.7   0.7
ASSIGN (RESID 41  AND NAME HB*  ) (RESID 41  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 18  AND NAME HB*  ) (RESID 18  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 55  AND NAME HG1  ) (RESID 55  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 34  AND NAME HG*  ) (RESID 34  AND NAME HA   )    3.2   1.4   0.9
ASSIGN (RESID 55  AND NAME HG2  ) (RESID 55  AND NAME HA   )    2.8   1.0   0.9
ASSIGN (RESID 27  AND NAME HG2  ) (RESID 27  AND NAME HA   )    3.6   1.8   1.1
ASSIGN (RESID 6   AND NAME HB2  ) (RESID 6   AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 6   AND NAME HG2  ) (RESID 6   AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 41  AND NAME HG2  ) (RESID 41  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 18  AND NAME HG1  ) (RESID 18  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 58  AND NAME HD1  ) (RESID 55  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 58  AND NAME HD2  ) (RESID 58  AND NAME HA   )    3.7   1.9   1.0
ASSIGN (RESID 30  AND NAME HB1  ) (RESID 27  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 30  AND NAME HB2  ) (RESID 27  AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 2   AND NAME HG1* ) (RESID 2   AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 33  AND NAME HG1* ) (RESID 33  AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 9   AND NAME HG1* ) (RESID 9   AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 2   AND NAME HG2* ) (RESID 2   AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 33  AND NAME HG2* ) (RESID 33  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 40  AND NAME HG2* ) (RESID 40  AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID 9   AND NAME HG2* ) (RESID 9   AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 54  AND NAME HG2* ) (RESID 54  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 40  AND NAME HG2* ) (RESID 9   AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 33  AND NAME HG1* ) (RESID 2   AND NAME HA   )    4.6   2.8   1.4
ASSIGN (RESID 36  AND NAME HD1* ) (RESID 33  AND NAME HA   )    4.3   2.5   1.3
ASSIGN (RESID 9   AND NAME HG2* ) (RESID 40  AND NAME HA   )    3.5   1.7   1.1
ASSIGN (RESID 12  AND NAME HB*  ) (RESID 9   AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 12  AND NAME HB*  ) (RESID 40  AND NAME HA   )    4.3   2.5   1.3
ASSIGN (RESID 43  AND NAME HG   ) (RESID 40  AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 57  AND NAME HB2  ) (RESID 54  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 54  AND NAME HB   ) (RESID 54  AND NAME HA   )    2.5   0.7   0.7
ASSIGN (RESID 9   AND NAME HB   ) (RESID 9   AND NAME HA   )    2.5   0.7   0.8
ASSIGN (RESID 40  AND NAME HB   ) (RESID 40  AND NAME HA   )    2.5   0.7   0.7
ASSIGN (RESID 43  AND NAME HB2  ) (RESID 40  AND NAME HA   )    2.3   0.5   0.7
ASSIGN (RESID 5   AND NAME HB2  ) (RESID 2   AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 2   AND NAME HB   ) (RESID 2   AND NAME HA   )    2.3   0.5   0.7
ASSIGN (RESID 46  AND NAME HA   ) (RESID 46  AND NAME HD2  )    2.7   0.9   0.8
ASSIGN (RESID 23  AND NAME HB   ) (RESID 23  AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 46  AND NAME HB*  ) (RESID 46  AND NAME HD2  )    3.6   1.8   1.1
ASSIGN (RESID 46  AND NAME HG2  ) (RESID 46  AND NAME HD2  )    2.7   0.9   0.8
ASSIGN (RESID 39  AND NAME HG2  ) (RESID 39  AND NAME HD2  )    2.6   0.8   0.8
ASSIGN (RESID 26  AND NAME HB2  ) (RESID 23  AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 46  AND NAME HG1  ) (RESID 46  AND NAME HD2  )    2.8   1.0   0.8
ASSIGN (RESID 39  AND NAME HG1  ) (RESID 39  AND NAME HD2  )    2.8   1.0   0.9
ASSIGN (RESID 9   AND NAME HG1* ) (RESID 39  AND NAME HD2  )    4.3   2.5   1.3
ASSIGN (RESID 23  AND NAME HG1* ) (RESID 23  AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID 43  AND NAME HD1* ) (RESID 39  AND NAME HD1  )    4.4   2.6   1.3
ASSIGN (RESID 26  AND NAME HD1* ) (RESID 58  AND NAME HD2  )    3.6   1.8   1.1
ASSIGN (RESID 9   AND NAME HG1* ) (RESID 39  AND NAME HD1  )    3.7   1.9   1.1
ASSIGN (RESID 54  AND NAME HG1* ) (RESID 58  AND NAME HD1  )    3.7   1.9   1.1
ASSIGN (RESID 26  AND NAME HD2* ) (RESID 58  AND NAME HD2  )    4.5   2.7   1.3
ASSIGN (RESID 49  AND NAME HB*  ) (RESID 48  AND NAME HB1  )    3.8   2.0   1.2
ASSIGN (RESID 58  AND NAME HG*  ) (RESID 58  AND NAME HD2  )    3.7   1.9   1.1
ASSIGN (RESID 58  AND NAME HG*  ) (RESID 58  AND NAME HD1  )    3.7   1.9   1.1
ASSIGN (RESID 60  AND NAME HG2  ) (RESID 60  AND NAME HE*  )    3.9   2.1   1.2
ASSIGN (RESID 58  AND NAME HB1  ) (RESID 58  AND NAME HD2  )    3.0   1.2   0.9
ASSIGN (RESID 58  AND NAME HB1  ) (RESID 58  AND NAME HD1  )    3.0   1.2   0.9
ASSIGN (RESID 58  AND NAME HB2  ) (RESID 58  AND NAME HD1  )    2.5   0.7   0.7
ASSIGN (RESID 58  AND NAME HB2  ) (RESID 58  AND NAME HD2  )    2.5   0.7   0.7
ASSIGN (RESID 46  AND NAME HG2  ) (RESID 46  AND NAME HD1  )    2.8   1.0   0.8
ASSIGN (RESID 46  AND NAME HB*  ) (RESID 46  AND NAME HD1  )    3.4   1.6   1.0
ASSIGN (RESID 37  AND NAME HD2  ) (RESID 37  AND NAME HE1  )    3.2   1.4   1.0
ASSIGN (RESID 51  AND NAME HD*  ) (RESID 51  AND NAME HE*  )    3.4   1.6   1.0
ASSIGN (RESID 44  AND NAME HD1  ) (RESID 44  AND NAME HE*  )    3.0   1.2   0.9
ASSIGN (RESID 38  AND NAME HD2  ) (RESID 38  AND NAME HE*  )    3.3   1.5   1.0
ASSIGN (RESID 37  AND NAME HG*  ) (RESID 37  AND NAME HE2  )    3.5   1.7   1.0
ASSIGN (RESID 53  AND NAME HG*  ) (RESID 53  AND NAME HE*  )    4.1   2.3   1.2
ASSIGN (RESID 44  AND NAME HG*  ) (RESID 44  AND NAME HE*  )    4.2   2.4   1.3
ASSIGN (RESID 51  AND NAME HG*  ) (RESID 51  AND NAME HE*  )    4.0   2.2   1.2
ASSIGN (RESID 60  AND NAME HG1  ) (RESID 60  AND NAME HE*  )    4.0   2.2   1.2
ASSIGN (RESID 5   AND NAME HD1* ) (RESID 37  AND NAME HE1  )    4.7   2.9   1.4
ASSIGN (RESID 33  AND NAME HG1* ) (RESID 37  AND NAME HE1  )    4.1   2.3   1.2
ASSIGN (RESID 19  AND NAME HD2* ) (RESID 51  AND NAME HE*  )    3.9   2.1   1.2
ASSIGN (RESID 57  AND NAME HD2* ) (RESID 53  AND NAME HE*  )    4.4   2.6   1.3
ASSIGN (RESID 33  AND NAME HG1* ) (RESID 37  AND NAME HE2  )    4.7   3.1   1.3
ASSIGN (RESID 23  AND NAME HG1* ) (RESID 53  AND NAME HE*  )    4.0   2.2   1.2
ASSIGN (RESID 40  AND NAME HG2* ) (RESID 44  AND NAME HE*  )    5.0   3.2   1.5
ASSIGN (RESID 23  AND NAME HG2* ) (RESID 53  AND NAME HE*  )    4.8   3.0   1.4
ASSIGN (RESID 8   AND NAME HB1  ) (RESID 8   AND NAME HG2  )    2.0   0.2   0.6
ASSIGN (RESID 6   AND NAME HB2  ) (RESID 6   AND NAME HG2  )    2.6   0.8   0.8
ASSIGN (RESID 13  AND NAME HB2  ) (RESID 13  AND NAME HG2  )    2.6   0.8   0.8
ASSIGN (RESID 11  AND NAME HB2  ) (RESID 11  AND NAME HG2  )    2.1   0.3   0.6
ASSIGN (RESID 25  AND NAME HB2  ) (RESID 25  AND NAME HG2  )    2.3   0.5   0.7
ASSIGN (RESID 34  AND NAME HB1  ) (RESID 34  AND NAME HG*  )    3.0   1.2   0.9
ASSIGN (RESID 27  AND NAME HB2  ) (RESID 27  AND NAME HG2  )    3.0   1.2   0.9
ASSIGN (RESID 15  AND NAME HB2  ) (RESID 15  AND NAME HG2  )    2.9   1.1   0.9
ASSIGN (RESID 4   AND NAME HB2  ) (RESID 4   AND NAME HG*  )    3.1   1.3   0.9
ASSIGN (RESID 41  AND NAME HB*  ) (RESID 41  AND NAME HG1  )    2.8   1.0   0.8
ASSIGN (RESID 34  AND NAME HB2  ) (RESID 34  AND NAME HG*  )    3.0   1.2   0.9
ASSIGN (RESID 13  AND NAME HB1  ) (RESID 13  AND NAME HG2  )    3.5   1.7   1.1
ASSIGN (RESID 6   AND NAME HB1  ) (RESID 6   AND NAME HG2  )    2.7   0.9   0.8
ASSIGN (RESID 20  AND NAME HB*  ) (RESID 20  AND NAME HG2  )    3.0   1.2   0.9
ASSIGN (RESID 27  AND NAME HB1  ) (RESID 27  AND NAME HG2  )    4.0   2.2   1.2
ASSIGN (RESID 12  AND NAME HB*  ) (RESID 13  AND NAME HG2  )    5.2   3.4   1.6
ASSIGN (RESID 3   AND NAME HB*  ) (RESID 4   AND NAME HG*  )    5.2   3.4   1.6
ASSIGN (RESID 36  AND NAME HD2* ) (RESID 6   AND NAME HG2  )    3.7   1.9   1.1
ASSIGN (RESID 43  AND NAME HD2* ) (RESID 13  AND NAME HG2  )    4.0   2.2   1.2
ASSIGN (RESID 57  AND NAME HD2* ) (RESID 27  AND NAME HG2  )    4.2   2.4   1.2
ASSIGN (RESID 9   AND NAME HG1* ) (RESID 13  AND NAME HG2  )    3.8   2.0   1.2
ASSIGN (RESID 36  AND NAME HD1* ) (RESID 6   AND NAME HG2  )    3.8   2.0   1.1
ASSIGN (RESID 23  AND NAME HG1* ) (RESID 27  AND NAME HG2  )    3.8   2.0   1.1
ASSIGN (RESID 2   AND NAME HG1* ) (RESID 6   AND NAME HG2  )    3.5   1.7   1.1
ASSIGN (RESID 33  AND NAME HG1* ) (RESID 34  AND NAME HG*  )    5.3   3.5   1.6
ASSIGN (RESID 50  AND NAME HB*  ) (RESID 20  AND NAME HG2  )    4.9   3.1   1.5
ASSIGN (RESID 43  AND NAME HD1* ) (RESID 13  AND NAME HB2  )    3.6   1.8   1.1
ASSIGN (RESID 43  AND NAME HD2* ) (RESID 13  AND NAME HB2  )    4.2   2.4   1.2
ASSIGN (RESID 40  AND NAME HG2* ) (RESID 8   AND NAME HB2  )    3.9   2.1   1.2
ASSIGN (RESID 9   AND NAME HG1* ) (RESID 13  AND NAME HB2  )    3.8   2.0   1.1
ASSIGN (RESID 5   AND NAME HD2* ) (RESID 8   AND NAME HG1  )    4.6   2.8   1.4
ASSIGN (RESID 14  AND NAME HB*  ) (RESID 13  AND NAME HB2  )    4.4   2.6   1.3
ASSIGN (RESID 1   AND NAME HB1  ) (RESID 1   AND NAME HG2  )    2.8   1.0   0.8
ASSIGN (RESID 32  AND NAME HB2  ) (RESID 32  AND NAME HG2  )    2.6   0.8   0.8
ASSIGN (RESID 8   AND NAME HB1  ) (RESID 8   AND NAME HG1  )    2.2   0.4   0.7
ASSIGN (RESID 20  AND NAME HB*  ) (RESID 20  AND NAME HG1  )    2.5   0.7   0.7
ASSIGN (RESID 18  AND NAME HG2  ) (RESID 18  AND NAME HB*  )    3.0   1.2   0.9
ASSIGN (RESID 25  AND NAME HG1  ) (RESID 25  AND NAME HB1  )    2.8   1.0   0.9
ASSIGN (RESID 15  AND NAME HA   ) (RESID 18  AND NAME HB*  )    3.5   1.7   1.1
ASSIGN (RESID 52  AND NAME HA   ) (RESID 52  AND NAME HB*  )    2.6   0.8   0.8
ASSIGN (RESID 55  AND NAME HA   ) (RESID 55  AND NAME HB*  )    2.9   1.1   0.9
ASSIGN (RESID 37  AND NAME HA   ) (RESID 40  AND NAME HB   )    2.2   0.4   0.6
ASSIGN (RESID 32  AND NAME HG2  ) (RESID 32  AND NAME HB1  )    3.0   1.2   0.9
ASSIGN (RESID 32  AND NAME HG1  ) (RESID 32  AND NAME HB2  )    3.9   2.1   1.2
ASSIGN (RESID 32  AND NAME HG1  ) (RESID 32  AND NAME HB1  )    2.8   1.0   0.8
ASSIGN (RESID 52  AND NAME HG*  ) (RESID 52  AND NAME HB*  )    3.2   1.4   1.0
ASSIGN (RESID 21  AND NAME HG*  ) (RESID 21  AND NAME HB*  )    2.5   0.7   0.8
ASSIGN (RESID 5   AND NAME HG   ) (RESID 5   AND NAME HB2  )    2.6   0.8   0.8
ASSIGN (RESID 39  AND NAME HG1  ) (RESID 39  AND NAME HB2  )    2.8   1.0   0.9
ASSIGN (RESID 7   AND NAME HG2  ) (RESID 7   AND NAME HB*  )    4.2   2.4   1.3
ASSIGN (RESID 7   AND NAME HD*  ) (RESID 7   AND NAME HB*  )    4.0   2.2   1.2
ASSIGN (RESID 53  AND NAME HD*  ) (RESID 53  AND NAME HB1  )    3.5   1.7   1.0
ASSIGN (RESID 35  AND NAME HB*  ) (RESID 32  AND NAME HB2  )    3.7   1.9   1.1
ASSIGN (RESID 3   AND NAME HB*  ) (RESID 1   AND NAME HB*  )    4.8   3.0   1.4
ASSIGN (RESID 12  AND NAME HB*  ) (RESID 11  AND NAME HB1  )    4.1   2.3   1.2
ASSIGN (RESID 42  AND NAME HB*  ) (RESID 41  AND NAME HB*  )    4.4   2.6   1.3
ASSIGN (RESID 14  AND NAME HB*  ) (RESID 15  AND NAME HB2  )    4.5   2.7   1.3
ASSIGN (RESID 24  AND NAME HB*  ) (RESID 21  AND NAME HB*  )    4.9   3.1   1.5
ASSIGN (RESID 9   AND NAME HG2* ) (RESID 9   AND NAME HB   )    2.8   1.0   0.9
ASSIGN (RESID 40  AND NAME HG2* ) (RESID 40  AND NAME HB   )    3.0   1.2   0.9
ASSIGN (RESID 40  AND NAME HG1* ) (RESID 40  AND NAME HB   )    3.0   1.2   0.9
ASSIGN (RESID 33  AND NAME HG2* ) (RESID 1   AND NAME HG1  )    4.4   2.6   1.3
ASSIGN (RESID 9   AND NAME HG1* ) (RESID 9   AND NAME HB   )    2.9   1.1   0.9
ASSIGN (RESID 26  AND NAME HD2* ) (RESID 26  AND NAME HB2  )    3.2   1.4   1.0
ASSIGN (RESID 33  AND NAME HG2* ) (RESID 33  AND NAME HB   )    2.8   1.0   0.8
ASSIGN (RESID 26  AND NAME HD1* ) (RESID 26  AND NAME HB2  )    3.0   1.2   0.9
ASSIGN (RESID 23  AND NAME HG1* ) (RESID 23  AND NAME HB   )    2.7   0.9   0.8
ASSIGN (RESID 57  AND NAME HD2* ) (RESID 26  AND NAME HB2  )    3.5   1.7   1.0
ASSIGN (RESID 43  AND NAME HD2* ) (RESID 43  AND NAME HG   )    3.1   1.3   0.9
ASSIGN (RESID 19  AND NAME HD2* ) (RESID 19  AND NAME HG   )    2.9   1.1   0.9
ASSIGN (RESID 26  AND NAME HD2* ) (RESID 26  AND NAME HG   )    2.7   0.9   0.8
ASSIGN (RESID 5   AND NAME HD1* ) (RESID 5   AND NAME HG   )    2.7   0.9   0.8
ASSIGN (RESID 57  AND NAME HD2* ) (RESID 57  AND NAME HG   )    2.9   1.1   0.9
ASSIGN (RESID 19  AND NAME HD1* ) (RESID 19  AND NAME HG   )    2.7   0.9   0.8
ASSIGN (RESID 26  AND NAME HD1* ) (RESID 26  AND NAME HG   )    2.8   1.0   0.8
ASSIGN (RESID 36  AND NAME HD1* ) (RESID 36  AND NAME HG   )    2.7   0.9   0.8
ASSIGN (RESID 5   AND NAME HD2* ) (RESID 5   AND NAME HG   )    2.7   0.9   0.8
ASSIGN (RESID 23  AND NAME HG2* ) (RESID 53  AND NAME HB1  )    3.6   1.8   1.1
ASSIGN (RESID 9   AND NAME HG2* ) (RESID 39  AND NAME HG2  )    4.2   2.4   1.3
ASSIGN (RESID 19  AND NAME HB1  ) (RESID 19  AND NAME HG   )    3.1   1.3   0.9
ASSIGN (RESID 43  AND NAME HB1  ) (RESID 43  AND NAME HG   )    2.8   1.0   0.8
ASSIGN (RESID 57  AND NAME HB1  ) (RESID 57  AND NAME HG   )    2.3   0.5   0.7
ASSIGN (RESID 37  AND NAME HG*  ) (RESID 37  AND NAME HB1  )    3.6   1.8   1.1
ASSIGN (RESID 37  AND NAME HG*  ) (RESID 37  AND NAME HB2  )    3.7   1.9   1.1
ASSIGN (RESID 50  AND NAME HB*  ) (RESID 19  AND NAME HG   )    4.5   2.7   1.4
ASSIGN (RESID 60  AND NAME HG2  ) (RESID 60  AND NAME HB1  )    2.6   0.8   0.8
ASSIGN (RESID 58  AND NAME HG*  ) (RESID 58  AND NAME HB2  )    2.8   1.0   0.8
ASSIGN (RESID 37  AND NAME HD1  ) (RESID 37  AND NAME HB2  )    2.3   0.5   0.7
ASSIGN (RESID 42  AND NAME HB*  ) (RESID 43  AND NAME HG   )    3.7   1.9   1.1
ASSIGN (RESID 37  AND NAME HA   ) (RESID 37  AND NAME HB1  )    2.2   0.4   0.6
ASSIGN (RESID 7   AND NAME HE*  ) (RESID 7   AND NAME HD*  )    3.3   1.5   1.0
ASSIGN (RESID 37  AND NAME HE1  ) (RESID 37  AND NAME HD1  )    2.6   0.8   0.8
ASSIGN (RESID 46  AND NAME HB*  ) (RESID 46  AND NAME HG1  )    3.2   1.4   1.0
ASSIGN (RESID 38  AND NAME HB*  ) (RESID 38  AND NAME HD1  )    3.4   1.6   1.0
ASSIGN (RESID 58  AND NAME HG*  ) (RESID 58  AND NAME HB1  )    3.3   1.5   1.0
ASSIGN (RESID 37  AND NAME HG*  ) (RESID 37  AND NAME HD2  )    2.6   0.8   0.8
ASSIGN (RESID 51  AND NAME HG*  ) (RESID 51  AND NAME HD*  )    2.8   1.0   0.8
ASSIGN (RESID 53  AND NAME HG*  ) (RESID 53  AND NAME HD*  )    2.8   1.0   0.8
ASSIGN (RESID 12  AND NAME HB*  ) (RESID 44  AND NAME HD2  )    3.2   1.4   1.0
ASSIGN (RESID 9   AND NAME HG2* ) (RESID 39  AND NAME HG1  )    4.0   2.2   1.2
ASSIGN (RESID 23  AND NAME HG2* ) (RESID 53  AND NAME HD*  )    4.4   2.6   1.3
ASSIGN (RESID 40  AND NAME HG1* ) (RESID 44  AND NAME HD1  )    3.2   1.4   1.0
ASSIGN (RESID 5   AND NAME HD1* ) (RESID 37  AND NAME HD2  )    3.9   2.1   1.2
ASSIGN (RESID 57  AND NAME HD2* ) (RESID 53  AND NAME HD*  )    5.0   3.2   1.5
ASSIGN (RESID 26  AND NAME HD1* ) (RESID 58  AND NAME HG*  )    4.1   2.3   1.2
ASSIGN (RESID 33  AND NAME HG1* ) (RESID 37  AND NAME HD1  )    3.4   1.6   1.0
ASSIGN (RESID 9   AND NAME HG1* ) (RESID 39  AND NAME HG1  )    3.6   1.8   1.1
ASSIGN (RESID 5   AND NAME HD2* ) (RESID 37  AND NAME HD2  )    3.9   2.1   1.2
ASSIGN (RESID 33  AND NAME HG1* ) (RESID 37  AND NAME HD2  )    3.9   2.1   1.2
ASSIGN (RESID 43  AND NAME HD2* ) (RESID 12  AND NAME HB*  )    3.5   1.7   1.0
ASSIGN (RESID 19  AND NAME HD1* ) (RESID 50  AND NAME HB*  )    4.2   2.4   1.3
ASSIGN (RESID 43  AND NAME HD1* ) (RESID 12  AND NAME HB*  )    4.2   2.4   1.3
ASSIGN (RESID 23  AND NAME HG2* ) (RESID 53  AND NAME HG*  )    4.3   2.5   1.3
ASSIGN (RESID 19  AND NAME HB1  ) (RESID 50  AND NAME HB*  )    3.3   1.5   1.0
ASSIGN (RESID 43  AND NAME HB1  ) (RESID 12  AND NAME HB*  )    3.3   1.5   1.0
ASSIGN (RESID 37  AND NAME HD1  ) (RESID 37  AND NAME HG*  )    3.2   1.4   1.0
ASSIGN (RESID 38  AND NAME HD1  ) (RESID 38  AND NAME HG*  )    3.0   1.2   0.9
ASSIGN (RESID 19  AND NAME HB2  ) (RESID 50  AND NAME HB*  )    3.3   1.5   1.0
ASSIGN (RESID 43  AND NAME HB2  ) (RESID 12  AND NAME HB*  )    3.2   1.4   1.0
ASSIGN (RESID 7   AND NAME HB*  ) (RESID 7   AND NAME HG1  )    3.5   1.7   1.0
ASSIGN (RESID 60  AND NAME HB2  ) (RESID 60  AND NAME HG1  )    2.8   1.0   0.8
ASSIGN (RESID 60  AND NAME HB2  ) (RESID 60  AND NAME HG2  )    2.5   0.7   0.7
ASSIGN (RESID 27  AND NAME HB2  ) (RESID 24  AND NAME HB*  )    4.6   2.8   1.4
ASSIGN (RESID 6   AND NAME HB2  ) (RESID 3   AND NAME HB*  )    4.8   3.0   1.5
ASSIGN (RESID 13  AND NAME HB2  ) (RESID 10  AND NAME HB*  )    4.2   2.4   1.3
ASSIGN (RESID 7   AND NAME HE*  ) (RESID 7   AND NAME HG1  )    3.7   1.9   1.1
ASSIGN (RESID 37  AND NAME HE2  ) (RESID 37  AND NAME HD1  )    2.6   0.8   0.8
ASSIGN (RESID 57  AND NAME HA   ) (RESID 57  AND NAME HB1  )    2.2   0.4   0.6
ASSIGN (RESID 37  AND NAME HE1  ) (RESID 37  AND NAME HG*  )    4.0   2.2   1.2
ASSIGN (RESID 19  AND NAME HD2* ) (RESID 19  AND NAME HB1  )    3.3   1.5   1.0
ASSIGN (RESID 43  AND NAME HD2* ) (RESID 43  AND NAME HB1  )    3.3   1.5   1.0
ASSIGN (RESID 43  AND NAME HD1* ) (RESID 43  AND NAME HB1  )    3.4   1.6   1.0
ASSIGN (RESID 19  AND NAME HD1* ) (RESID 19  AND NAME HB1  )    3.4   1.6   1.0
ASSIGN (RESID 19  AND NAME HD1* ) (RESID 51  AND NAME HG*  )    4.0   2.2   1.2
ASSIGN (RESID 40  AND NAME HG1* ) (RESID 40  AND NAME HG2* )    3.4   1.6   1.0
ASSIGN (RESID 19  AND NAME HD1* ) (RESID 19  AND NAME HD2* )    3.1   1.3   0.9
ASSIGN (RESID 33  AND NAME HG1* ) (RESID 33  AND NAME HG2* )    3.5   1.7   1.0
ASSIGN (RESID 9   AND NAME HG1* ) (RESID 9   AND NAME HG2* )    3.2   1.4   0.9
ASSIGN (RESID 50  AND NAME HB*  ) (RESID 23  AND NAME HG2* )    3.9   2.1   1.2
ASSIGN (RESID 8   AND NAME HG1  ) (RESID 40  AND NAME HG2* )    3.9   2.1   1.2
ASSIGN (RESID 58  AND NAME HA   ) (RESID 26  AND NAME HD1* )    3.1   1.3   0.9
ASSIGN (RESID 37  AND NAME HA   ) (RESID 5   AND NAME HD2* )    3.3   1.5   1.0
ASSIGN (RESID 40  AND NAME HA   ) (RESID 40  AND NAME HG1* )    2.8   1.0   0.8
ASSIGN (RESID 40  AND NAME HA   ) (RESID 9   AND NAME HG1* )    4.2   2.4   1.3
ASSIGN (RESID 44  AND NAME HE*  ) (RESID 40  AND NAME HG1* )    3.7   1.9   1.1
ASSIGN (RESID 51  AND NAME HE*  ) (RESID 19  AND NAME HD1* )    4.1   2.3   1.2
ASSIGN (RESID 16  AND NAME HB1  ) (RESID 43  AND NAME HD2* )    4.1   2.3   1.2
ASSIGN (RESID 8   AND NAME HG2  ) (RESID 40  AND NAME HG2* )    4.5   2.7   1.3
ASSIGN (RESID 41  AND NAME HG2  ) (RESID 40  AND NAME HG1* )    3.7   1.9   1.1
ASSIGN (RESID 1   AND NAME HG2  ) (RESID 33  AND NAME HG2* )    5.5   3.7   1.7
ASSIGN (RESID 8   AND NAME HB1  ) (RESID 40  AND NAME HG1* )    4.0   2.2   1.2
ASSIGN (RESID 29  AND NAME HB2  ) (RESID 26  AND NAME HD2* )    4.1   2.3   1.2
ASSIGN (RESID 57  AND NAME HB2  ) (RESID 57  AND NAME HD2* )    3.1   1.3   0.9
ASSIGN (RESID 58  AND NAME HG*  ) (RESID 26  AND NAME HD2* )    4.5   2.7   1.3
ASSIGN (RESID 24  AND NAME HB*  ) (RESID 23  AND NAME HG1* )    5.5   3.7   1.7
ASSIGN (RESID 3   AND NAME HB*  ) (RESID 2   AND NAME HG2* )    5.5   3.7   1.7
ASSIGN (RESID 37  AND NAME HG*  ) (RESID 5   AND NAME HD2* )    3.7   1.9   1.1
ASSIGN (RESID 57  AND NAME HD2* ) (RESID 57  AND NAME HD1* )    3.1   1.3   0.9
ASSIGN (RESID 26  AND NAME HD2* ) (RESID 26  AND NAME HD1* )    3.1   1.3   0.9
ASSIGN (RESID 53  AND NAME HD*  ) (RESID 23  AND NAME HG1* )    4.2   2.4   1.3
ASSIGN (RESID 42  AND NAME HB*  ) (RESID 43  AND NAME HD1* )    5.5   3.7   1.7
ASSIGN (RESID 2   AND NAME HN   ) (RESID 1   AND NAME HA   )    2.3   0.5   0.7
ASSIGN (RESID 6   AND NAME HN   ) (RESID 5   AND NAME HG   )    4.6   2.8   1.4
ASSIGN (RESID 8   AND NAME HN   ) (RESID 7   AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 16  AND NAME HD21 ) (RESID 46  AND NAME HB*  )    3.2   1.4   1.0
ASSIGN (RESID 25  AND NAME HN   ) (RESID 24  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 26  AND NAME HN   ) (RESID 25  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 36  AND NAME HN   ) (RESID 36  AND NAME HD2* )    3.7   1.9   1.1
ASSIGN (RESID 17  AND NAME HD*  ) (RESID 20  AND NAME HB*  )    5.4   3.6   1.6
ASSIGN (RESID 61  AND NAME HN   ) (RESID 61  AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 24  AND NAME HN   ) (RESID 21  AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID 40  AND NAME HN   ) (RESID 39  AND NAME HA   )    3.2   1.4   0.9
ASSIGN (RESID 28  AND NAME HN   ) (RESID 27  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 36  AND NAME HN   ) (RESID 34  AND NAME HA   )    3.6   1.8   1.1
ASSIGN (RESID 31  AND NAME H2   ) (RESID 31  AND NAME HA*  )    4.4   2.6   1.3
ASSIGN (RESID 62  AND NAME H2   ) (RESID 62  AND NAME HA*  )    4.7   2.9   1.4
ASSIGN (RESID 8   AND NAME HN   ) (RESID 9   AND NAME HA   )    4.1   2.3   1.2
ASSIGN (RESID 4   AND NAME HN   ) (RESID 2   AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID 56  AND NAME HN   ) (RESID 54  AND NAME HA   )    3.6   1.8   1.1
ASSIGN (RESID 53  AND NAME HN   ) (RESID 54  AND NAME HA   )    4.4   2.6   1.3
ASSIGN (RESID 16  AND NAME HD22 ) (RESID 46  AND NAME HD1  )    3.6   1.8   1.1
ASSIGN (RESID 16  AND NAME HD22 ) (RESID 46  AND NAME HD2  )    3.8   2.0   1.2
ASSIGN (RESID 39  AND NAME HN   ) (RESID 39  AND NAME HD1  )    3.9   2.1   1.2
ASSIGN (RESID 62  AND NAME HN   ) (RESID 61  AND NAME HB1  )    3.7   1.9   1.1
ASSIGN (RESID 46  AND NAME HN   ) (RESID 46  AND NAME HD2  )    3.8   2.0   1.2
ASSIGN (RESID 47  AND NAME HN   ) (RESID 48  AND NAME HB1  )    3.9   2.1   1.2
ASSIGN (RESID 44  AND NAME HN   ) (RESID 44  AND NAME HE*  )    5.1   3.3   1.5
ASSIGN (RESID 44  AND NAME HN   ) (RESID 47  AND NAME HB2  )    3.5   1.7   1.0
ASSIGN (RESID 17  AND NAME HD*  ) (RESID 18  AND NAME HG1  )    4.5   2.7   1.4
ASSIGN (RESID 17  AND NAME HD*  ) (RESID 18  AND NAME HG2  )    4.7   2.9   1.4
ASSIGN (RESID 25  AND NAME HN   ) (RESID 25  AND NAME HB1  )    2.3   0.5   0.7
ASSIGN (RESID 17  AND NAME HD*  ) (RESID 21  AND NAME HG*  )    5.3   3.5   1.6
ASSIGN (RESID 3   AND NAME HN   ) (RESID 2   AND NAME HB   )    2.4   0.6   0.7
ASSIGN (RESID 40  AND NAME HN   ) (RESID 39  AND NAME HB1  )    2.0   0.2   0.6
ASSIGN (RESID 47  AND NAME HN   ) (RESID 46  AND NAME HG2  )    3.7   1.9   1.1
ASSIGN (RESID 44  AND NAME HN   ) (RESID 44  AND NAME HD2  )    3.3   1.5   0.9
ASSIGN (RESID 52  AND NAME HN   ) (RESID 50  AND NAME HB*  )    4.8   3.0   1.4
ASSIGN (RESID 39  AND NAME HN   ) (RESID 40  AND NAME HG2* )    4.9   3.1   1.5
ASSIGN (RESID 8   AND NAME HB1  ) (RESID 9   AND NAME HN   )    2.3   0.5   0.7
ASSIGN (RESID 50  AND NAME HB*  ) (RESID 19  AND NAME HN   )    4.6   2.8   1.4
ASSIGN (RESID 9   AND NAME HG2* ) (RESID 40  AND NAME HN   )    3.0   1.2   0.9
ASSIGN (RESID 49  AND NAME HB*  ) (RESID 48  AND NAME HN   )    4.4   2.6   1.3
ASSIGN (RESID 60  AND NAME HB1  ) (RESID 61  AND NAME HN   )    2.3   0.5   0.7
ASSIGN (RESID 30  AND NAME HB1  ) (RESID 31  AND NAME HN   )    3.5   1.7   1.1
ASSIGN (RESID 17  AND NAME HA   ) (RESID 20  AND NAME HB*  )    3.4   1.6   1.0
ASSIGN (RESID 46  AND NAME HD1  ) (RESID 46  AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 29  AND NAME HG2  ) (RESID 29  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 25  AND NAME HG1  ) (RESID 25  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 15  AND NAME HG1  ) (RESID 15  AND NAME HA   )    2.3   0.5   0.7
ASSIGN (RESID 13  AND NAME HB1  ) (RESID 10  AND NAME HA   )    4.1   2.3   1.2
ASSIGN (RESID 34  AND NAME HB2  ) (RESID 34  AND NAME HA   )    2.2   0.4   0.7
ASSIGN (RESID 25  AND NAME HG2  ) (RESID 22  AND NAME HA   )    4.0   2.2   1.2
ASSIGN (RESID 36  AND NAME HG   ) (RESID 33  AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 3   AND NAME HB*  ) (RESID 7   AND NAME HE*  )    4.9   3.1   1.5
ASSIGN (RESID 24  AND NAME HB*  ) (RESID 25  AND NAME HB2  )    4.7   2.9   1.4
ASSIGN (RESID 45  AND NAME HB*  ) (RESID 46  AND NAME HB*  )    4.8   3.0   1.4
ASSIGN (RESID 44  AND NAME HG*  ) (RESID 44  AND NAME HD1  )    2.9   1.1   0.9
ASSIGN (RESID 4   AND NAME HB2  ) (RESID 3   AND NAME HB*  )    4.6   2.8   1.4
ASSIGN (RESID 13  AND NAME HB2  ) (RESID 12  AND NAME HB*  )    4.2   2.4   1.3
ASSIGN (RESID 51  AND NAME HD*  ) (RESID 19  AND NAME HD1* )    4.1   2.3   1.2
ASSIGN (RESID 27  AND NAME HN   ) (RESID 57  AND NAME HD1* )    3.8   2.0   1.1
ASSIGN (RESID 44  AND NAME HN   ) (RESID 43  AND NAME HD1* )    4.2   2.4   1.2
ASSIGN (RESID 57  AND NAME HN   ) (RESID 57  AND NAME HD1* )    3.5   1.7   1.1
ASSIGN (RESID 50  AND NAME HN   ) (RESID 23  AND NAME HG2* )    5.2   3.4   1.6
ASSIGN (RESID 11  AND NAME HN   ) (RESID 9   AND NAME HG1* )    5.0   3.2   1.5
ASSIGN (RESID 58  AND NAME HE   ) (RESID 54  AND NAME HG1* )    4.7   2.9   1.4
ASSIGN (RESID 8   AND NAME HN   ) (RESID 40  AND NAME HG2* )    4.7   2.9   1.4
ASSIGN (RESID 21  AND NAME HN   ) (RESID 24  AND NAME HB*  )    5.2   3.4   1.6
ASSIGN (RESID 16  AND NAME HD21 ) (RESID 50  AND NAME HB*  )    5.1   3.3   1.5
ASSIGN (RESID 52  AND NAME HN   ) (RESID 49  AND NAME HB*  )    5.1   3.3   1.5
ASSIGN (RESID 18  AND NAME HN   ) (RESID 14  AND NAME HB*  )    5.1   3.3   1.5
ASSIGN (RESID 53  AND NAME HN   ) (RESID 53  AND NAME HG*  )    4.3   2.5   1.3
ASSIGN (RESID 38  AND NAME HN   ) (RESID 38  AND NAME HG*  )    4.5   2.7   1.3
ASSIGN (RESID 49  AND NAME HN   ) (RESID 50  AND NAME HB*  )    5.5   3.7   1.7
ASSIGN (RESID 39  AND NAME HN   ) (RESID 42  AND NAME HB*  )    4.5   2.7   1.3
ASSIGN (RESID 14  AND NAME HN   ) (RESID 12  AND NAME HB*  )    5.4   3.6   1.6
ASSIGN (RESID 33  AND NAME HN   ) (RESID 35  AND NAME HB*  )    4.3   2.5   1.3
ASSIGN (RESID 51  AND NAME HN   ) (RESID 49  AND NAME HB*  )    5.0   3.2   1.5
ASSIGN (RESID 37  AND NAME HN   ) (RESID 35  AND NAME HB*  )    4.7   2.9   1.4
ASSIGN (RESID 54  AND NAME HN   ) (RESID 56  AND NAME HB*  )    4.9   3.1   1.4
ASSIGN (RESID 54  AND NAME HN   ) (RESID 50  AND NAME HB*  )    5.2   3.4   1.6
ASSIGN (RESID 58  AND NAME HN   ) (RESID 56  AND NAME HB*  )    5.0   3.2   1.5
ASSIGN (RESID 20  AND NAME HN   ) (RESID 50  AND NAME HB*  )    4.7   2.9   1.4
ASSIGN (RESID 47  AND NAME HN   ) (RESID 46  AND NAME HG1  )    3.7   1.9   1.1
ASSIGN (RESID 52  AND NAME HN   ) (RESID 51  AND NAME HD*  )    4.8   3.0   1.5
ASSIGN (RESID 59  AND NAME HN   ) (RESID 58  AND NAME HB1  )    3.3   1.5   1.0
ASSIGN (RESID 28  AND NAME HD2  ) (RESID 24  AND NAME HB*  )    5.5   3.7   1.7
ASSIGN (RESID 52  AND NAME HE21 ) (RESID 51  AND NAME HD*  )    5.0   3.2   1.4
ASSIGN (RESID 38  AND NAME HN   ) (RESID 37  AND NAME HB1  )    2.8   1.0   0.8
ASSIGN (RESID 18  AND NAME HN   ) (RESID 19  AND NAME HG   )    3.6   1.8   1.1
ASSIGN (RESID 42  AND NAME HN   ) (RESID 43  AND NAME HG   )    3.7   1.9   1.1
ASSIGN (RESID 60  AND NAME HN   ) (RESID 60  AND NAME HB2  )    2.3   0.5   0.7
ASSIGN (RESID 53  AND NAME HN   ) (RESID 53  AND NAME HB2  )    2.2   0.4   0.7
ASSIGN (RESID 4   AND NAME HN   ) (RESID 1   AND NAME HB1  )    2.8   1.0   0.8
ASSIGN (RESID 4   AND NAME HN   ) (RESID 1   AND NAME HB2  )    3.7   1.9   1.1
ASSIGN (RESID 16  AND NAME HD22 ) (RESID 46  AND NAME HG2  )    3.8   2.0   1.1
ASSIGN (RESID 5   AND NAME HN   ) (RESID 4   AND NAME HB2  )    2.6   0.8   0.8
ASSIGN (RESID 16  AND NAME HN   ) (RESID 15  AND NAME HG1  )    3.8   2.0   1.1
ASSIGN (RESID 5   AND NAME HN   ) (RESID 6   AND NAME HG2  )    3.7   1.9   1.1
ASSIGN (RESID 58  AND NAME HE   ) (RESID 58  AND NAME HD1  )    3.4   1.6   1.0
ASSIGN (RESID 58  AND NAME HE   ) (RESID 58  AND NAME HD2  )    3.6   1.8   1.1
ASSIGN (RESID 61  AND NAME HN   ) (RESID 59  AND NAME HB1  )    3.8   2.0   1.1
ASSIGN (RESID 39  AND NAME HN   ) (RESID 40  AND NAME HA   )    4.0   2.2   1.2
ASSIGN (RESID 54  AND NAME HN   ) (RESID 52  AND NAME HA   )    3.6   1.8   1.1
ASSIGN (RESID 50  AND NAME HN   ) (RESID 51  AND NAME HA   )    4.5   2.7   1.3
ASSIGN (RESID 5   AND NAME HN   ) (RESID 6   AND NAME HA   )    4.3   2.5   1.3
ASSIGN (RESID 53  AND NAME HN   ) (RESID 51  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 56  AND NAME HN   ) (RESID 52  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 31  AND NAME H1   ) (RESID 31  AND NAME HA*  )    4.4   2.6   1.3
ASSIGN (RESID 49  AND NAME HN   ) (RESID 48  AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 45  AND NAME HN   ) (RESID 44  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 3   AND NAME HN   ) (RESID 1   AND NAME HA   )    4.1   2.3   1.2
ASSIGN (RESID 25  AND NAME HN   ) (RESID 21  AND NAME HA   )    3.6   1.8   1.0
ASSIGN (RESID 26  AND NAME HN   ) (RESID 22  AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 9   AND NAME HN   ) (RESID 7   AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 47  AND NAME HN   ) (RESID 43  AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 13  AND NAME HN   ) (RESID 11  AND NAME HA   )    3.9   2.1   1.2
ASSIGN (RESID 9   AND NAME HN   ) (RESID 10  AND NAME HA   )    4.0   2.2   1.2
ASSIGN (RESID 58  AND NAME HN   ) (RESID 56  AND NAME HA   )    3.8   2.0   1.2
ASSIGN (RESID 18  AND NAME HN   ) (RESID 14  AND NAME HA   )    3.6   1.8   1.1
ASSIGN (RESID 17  AND NAME HD*  ) (RESID 14  AND NAME HA   )    3.9   2.1   1.2
ASSIGN (RESID 47  AND NAME HD22 ) (RESID 47  AND NAME HA   )    3.5   1.7   1.1
ASSIGN (RESID 18  AND NAME HN   ) (RESID 16  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 61  AND NAME HN   ) (RESID 59  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 48  AND NAME HD*  ) (RESID 52  AND NAME HE22 )    5.0   3.2   1.5
ASSIGN (RESID 31  AND NAME HN   ) (RESID 31  AND NAME H1   )    3.9   2.1   1.2
ASSIGN (RESID 62  AND NAME HN   ) (RESID 62  AND NAME H2   )    4.0   2.2   1.2
ASSIGN (RESID 48  AND NAME HE*  ) (RESID 48  AND NAME HD*  )    2.7   0.9   0.8
ASSIGN (RESID 31  AND NAME HN   ) (RESID 31  AND NAME H2   )    3.7   1.9   1.1
ASSIGN (RESID 28  AND NAME HE1  ) (RESID 28  AND NAME HD2  )    4.9   3.1   1.5
ASSIGN (RESID 61  AND NAME HN   ) (RESID 59  AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID 25  AND NAME HN   ) (RESID 28  AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID 16  AND NAME HN   ) (RESID 18  AND NAME HN   )    3.6   1.8   1.0
ASSIGN (RESID 59  AND NAME HD2  ) (RESID 60  AND NAME HN   )    4.1   2.3   1.2
ASSIGN (RESID 45  AND NAME HN   ) (RESID 42  AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID 39  AND NAME HN   ) (RESID 36  AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID 9   AND NAME HN   ) (RESID 12  AND NAME HN   )    3.8   2.0   1.1
ASSIGN (RESID 47  AND NAME HN   ) (RESID 51  AND NAME HN   )    4.9   3.1   1.4
ASSIGN (RESID 27  AND NAME HN   ) (RESID 30  AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID 58  AND NAME HN   ) (RESID 61  AND NAME HN   )    4.0   2.2   1.2
ASSIGN (RESID 36  AND NAME HN   ) (RESID 32  AND NAME HN   )    5.2   3.4   1.6
ASSIGN (RESID 45  AND NAME HN   ) (RESID 48  AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID 48  AND NAME HN   ) (RESID 51  AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID 16  AND NAME HN   ) (RESID 19  AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID 34  AND NAME HN   ) (RESID 37  AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID 9   AND NAME HN   ) (RESID 6   AND NAME HN   )    3.8   2.0   1.1
ASSIGN (RESID 16  AND NAME HN   ) (RESID 13  AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID 5   AND NAME HD2* ) (RESID 6   AND NAME HN   )    4.5   2.7   1.3
ASSIGN (RESID 36  AND NAME HD2* ) (RESID 9   AND NAME HN   )    4.9   3.1   1.5
ASSIGN (RESID 58  AND NAME HN   ) (RESID 54  AND NAME HG1* )    3.9   2.1   1.2
ASSIGN (RESID 57  AND NAME HD2* ) (RESID 58  AND NAME HN   )    4.9   3.1   1.5
ASSIGN (RESID 5   AND NAME HA   ) (RESID 9   AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID 57  AND NAME HB2  ) (RESID 57  AND NAME HN   )    2.2   0.4   0.7
ASSIGN (RESID 19  AND NAME HB2  ) (RESID 19  AND NAME HN   )    2.3   0.5   0.7
ASSIGN (RESID 2   AND NAME HG1* ) (RESID 33  AND NAME HN   )    4.2   2.4   1.3
ASSIGN (RESID 12  AND NAME HB*  ) (RESID 11  AND NAME HN   )    4.0   2.2   1.2
ASSIGN (RESID 3   AND NAME HA   ) (RESID 5   AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID 62  AND NAME HA*  ) (RESID 61  AND NAME HN   )    4.5   2.7   1.4
ASSIGN (RESID 25  AND NAME HA   ) (RESID 29  AND NAME HN   )    4.2   2.4   1.2
ASSIGN (RESID 33  AND NAME HG2* ) (RESID 2   AND NAME HN   )    3.5   1.7   1.0
ASSIGN (RESID 10  AND NAME HB*  ) (RESID 8   AND NAME HN   )    5.5   3.7   1.7
ASSIGN (RESID 58  AND NAME HA   ) (RESID 62  AND NAME HN   )    3.2   1.4   1.0
ASSIGN (RESID 20  AND NAME HA   ) (RESID 21  AND NAME HN   )    3.2   1.4   1.0
ASSIGN (RESID 42  AND NAME HB*  ) (RESID 41  AND NAME HN   )    5.2   3.4   1.6
ASSIGN (RESID 26  AND NAME HD1* ) (RESID 56  AND NAME HN   )    4.6   2.8   1.4
ASSIGN (RESID 3   AND NAME HA   ) (RESID 7   AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID 34  AND NAME HG*  ) (RESID 34  AND NAME HE21 )    4.9   3.1   1.5
ASSIGN (RESID 46  AND NAME HB*  ) (RESID 16  AND NAME HD22 )    3.6   1.8   1.1
ASSIGN (RESID 34  AND NAME HG*  ) (RESID 34  AND NAME HE22 )    4.7   2.9   1.4
ASSIGN (RESID 61  AND NAME HB1  ) (RESID 61  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 61  AND NAME HB2  ) (RESID 61  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 62  AND NAME HA*  ) (RESID 59  AND NAME HA   )    4.5   2.7   1.3
ASSIGN (RESID 19  AND NAME HB2  ) (RESID 47  AND NAME HA   )    3.6   1.8   1.1
ASSIGN (RESID 19  AND NAME HD1* ) (RESID 47  AND NAME HA   )    4.8   3.0   1.4
ASSIGN (RESID 45  AND NAME HB*  ) (RESID 42  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 19  AND NAME HG   ) (RESID 16  AND NAME HA   )    3.6   1.8   1.1
ASSIGN (RESID 16  AND NAME HB1  ) (RESID 17  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 17  AND NAME HB2  ) (RESID 14  AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 33  AND NAME HA   ) (RESID 32  AND NAME HA   )    3.6   1.8   1.1
ASSIGN (RESID 38  AND NAME HA   ) (RESID 39  AND NAME HA   )    3.9   2.1   1.2
ASSIGN (RESID 39  AND NAME HD1  ) (RESID 36  AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID 8   AND NAME HG2  ) (RESID 5   AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 29  AND NAME HG2  ) (RESID 25  AND NAME HA   )    2.8   1.0   0.9
ASSIGN (RESID 27  AND NAME HG2  ) (RESID 24  AND NAME HA   )    4.2   2.4   1.3
ASSIGN (RESID 25  AND NAME HG2  ) (RESID 25  AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 1   AND NAME HG1  ) (RESID 1   AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 22  AND NAME HG1  ) (RESID 19  AND NAME HA   )    4.3   2.5   1.1
ASSIGN (RESID 4   AND NAME HB1  ) (RESID 4   AND NAME HA   )    2.3   0.5   0.7
ASSIGN (RESID 25  AND NAME HB1  ) (RESID 22  AND NAME HA   )    2.2   0.4   0.7
ASSIGN (RESID 22  AND NAME HB*  ) (RESID 22  AND NAME HA   )    2.8   1.0   0.9
ASSIGN (RESID 21  AND NAME HG*  ) (RESID 21  AND NAME HA   )    4.3   2.5   1.3
ASSIGN (RESID 22  AND NAME HB*  ) (RESID 19  AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 32  AND NAME HB2  ) (RESID 35  AND NAME HA   )    4.6   2.8   1.2
ASSIGN (RESID 53  AND NAME HB2  ) (RESID 53  AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID 26  AND NAME HB2  ) (RESID 26  AND NAME HA   )    2.3   0.5   0.7
ASSIGN (RESID 36  AND NAME HB2  ) (RESID 36  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 13  AND NAME HB1  ) (RESID 13  AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 36  AND NAME HG   ) (RESID 36  AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 38  AND NAME HB*  ) (RESID 35  AND NAME HA   )    4.0   2.2   1.2
ASSIGN (RESID 46  AND NAME HG1  ) (RESID 46  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 49  AND NAME HB*  ) (RESID 46  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 3   AND NAME HB*  ) (RESID 4   AND NAME HA   )    4.2   2.4   1.2
ASSIGN (RESID 12  AND NAME HB*  ) (RESID 13  AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID 54  AND NAME HG2* ) (RESID 22  AND NAME HA   )    5.1   3.3   1.5
ASSIGN (RESID 54  AND NAME HG2* ) (RESID 19  AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID 36  AND NAME HD1* ) (RESID 6   AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 50  AND NAME HB*  ) (RESID 20  AND NAME HA   )    4.8   3.0   1.4
ASSIGN (RESID 12  AND NAME HB*  ) (RESID 43  AND NAME HA   )    4.9   3.1   1.5
ASSIGN (RESID 37  AND NAME HD1  ) (RESID 34  AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 10  AND NAME HB*  ) (RESID 6   AND NAME HA   )    4.9   3.1   1.5
ASSIGN (RESID 58  AND NAME HB1  ) (RESID 55  AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID 37  AND NAME HB2  ) (RESID 34  AND NAME HA   )    4.0   2.2   1.2
ASSIGN (RESID 21  AND NAME HB*  ) (RESID 18  AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 55  AND NAME HB*  ) (RESID 52  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 52  AND NAME HG*  ) (RESID 52  AND NAME HA   )    4.1   2.3   1.2
ASSIGN (RESID 18  AND NAME HG2  ) (RESID 18  AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID 58  AND NAME HD2  ) (RESID 55  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 26  AND NAME HD1* ) (RESID 54  AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID 2   AND NAME HG2* ) (RESID 33  AND NAME HA   )    4.6   2.8   1.4
ASSIGN (RESID 33  AND NAME HG2* ) (RESID 2   AND NAME HA   )    3.5   1.7   1.0
ASSIGN (RESID 23  AND NAME HG2* ) (RESID 54  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 3   AND NAME HB*  ) (RESID 2   AND NAME HA   )    5.1   3.3   1.5
ASSIGN (RESID 39  AND NAME HB1  ) (RESID 39  AND NAME HD2  )    3.3   1.5   1.0
ASSIGN (RESID 39  AND NAME HB2  ) (RESID 39  AND NAME HD2  )    3.7   1.9   1.1
ASSIGN (RESID 60  AND NAME HG2  ) (RESID 61  AND NAME HB2  )    3.6   1.8   1.1
ASSIGN (RESID 9   AND NAME HG2* ) (RESID 39  AND NAME HD2  )    5.5   3.7   1.7
ASSIGN (RESID 57  AND NAME HD1* ) (RESID 23  AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID 54  AND NAME HG1* ) (RESID 58  AND NAME HD2  )    3.6   1.8   1.1
ASSIGN (RESID 9   AND NAME HG2* ) (RESID 39  AND NAME HD1  )    4.2   2.4   1.3
ASSIGN (RESID 39  AND NAME HG1  ) (RESID 39  AND NAME HD1  )    3.0   1.2   0.9
ASSIGN (RESID 46  AND NAME HG1  ) (RESID 46  AND NAME HD1  )    3.0   1.2   0.9
ASSIGN (RESID 39  AND NAME HB2  ) (RESID 39  AND NAME HD1  )    3.3   1.5   1.0
ASSIGN (RESID 58  AND NAME HA   ) (RESID 58  AND NAME HD1  )    3.6   1.8   1.1
ASSIGN (RESID 44  AND NAME HA   ) (RESID 44  AND NAME HE*  )    4.7   2.9   1.4
ASSIGN (RESID 4   AND NAME HA   ) (RESID 7   AND NAME HE*  )    4.5   2.7   1.3
ASSIGN (RESID 44  AND NAME HD2  ) (RESID 44  AND NAME HE*  )    3.2   1.4   1.0
ASSIGN (RESID 38  AND NAME HD1  ) (RESID 38  AND NAME HE*  )    4.3   2.5   1.3
ASSIGN (RESID 12  AND NAME HB*  ) (RESID 44  AND NAME HE*  )    5.5   3.7   1.7
ASSIGN (RESID 26  AND NAME HD2* ) (RESID 58  AND NAME HD1  )    4.4   2.6   1.3
ASSIGN (RESID 26  AND NAME HD1* ) (RESID 58  AND NAME HD1  )    3.6   1.8   1.1
ASSIGN (RESID 57  AND NAME HD1* ) (RESID 53  AND NAME HE*  )    4.1   2.3   1.2
ASSIGN (RESID 8   AND NAME HB2  ) (RESID 8   AND NAME HG2  )    2.0   0.2   0.6
ASSIGN (RESID 3   AND NAME HB*  ) (RESID 6   AND NAME HG2  )    4.8   3.0   1.4
ASSIGN (RESID 43  AND NAME HD1* ) (RESID 13  AND NAME HG2  )    5.5   3.7   1.7
ASSIGN (RESID 9   AND NAME HG2* ) (RESID 13  AND NAME HG2  )    5.5   3.7   1.7
ASSIGN (RESID 57  AND NAME HD1* ) (RESID 27  AND NAME HG2  )    4.0   2.2   1.2
ASSIGN (RESID 54  AND NAME HG2* ) (RESID 22  AND NAME HG2  )    4.7   2.9   1.4
ASSIGN (RESID 19  AND NAME HG   ) (RESID 15  AND NAME HG2  )    4.3   2.5   1.3
ASSIGN (RESID 55  AND NAME HB*  ) (RESID 55  AND NAME HG1  )    4.1   2.3   1.2
ASSIGN (RESID 55  AND NAME HB*  ) (RESID 55  AND NAME HG2  )    3.4   1.6   1.0
ASSIGN (RESID 1   AND NAME HB2  ) (RESID 4   AND NAME HG*  )    4.0   2.2   1.2
ASSIGN (RESID 29  AND NAME HB1  ) (RESID 29  AND NAME HG2  )    2.9   1.1   0.9
ASSIGN (RESID 22  AND NAME HB*  ) (RESID 22  AND NAME HG2  )    2.7   0.9   0.8
ASSIGN (RESID 9   AND NAME HA   ) (RESID 13  AND NAME HG2  )    4.3   2.5   1.3
ASSIGN (RESID 2   AND NAME HA   ) (RESID 6   AND NAME HG2  )    3.5   1.7   1.1
ASSIGN (RESID 20  AND NAME HA   ) (RESID 20  AND NAME HG2  )    2.4   0.6   0.7
ASSIGN (RESID 1   AND NAME HA   ) (RESID 4   AND NAME HG*  )    3.6   1.8   1.1
ASSIGN (RESID 38  AND NAME HA   ) (RESID 41  AND NAME HB*  )    2.9   1.1   0.9
ASSIGN (RESID 8   AND NAME HA   ) (RESID 11  AND NAME HB2  )    2.0   0.2   0.6
ASSIGN (RESID 14  AND NAME HB*  ) (RESID 18  AND NAME HB*  )    5.5   3.7   1.7
ASSIGN (RESID 40  AND NAME HG2* ) (RESID 8   AND NAME HB1  )    3.1   1.3   0.9
ASSIGN (RESID 9   AND NAME HG2* ) (RESID 39  AND NAME HB2  )    3.7   1.9   1.1
ASSIGN (RESID 54  AND NAME HG1* ) (RESID 54  AND NAME HB   )    2.7   0.9   0.8
ASSIGN (RESID 19  AND NAME HD1* ) (RESID 19  AND NAME HB2  )    3.8   2.0   1.1
ASSIGN (RESID 42  AND NAME HB*  ) (RESID 43  AND NAME HB2  )    4.3   2.5   1.3
ASSIGN (RESID 60  AND NAME HA   ) (RESID 60  AND NAME HB2  )    2.2   0.4   0.7
ASSIGN (RESID 48  AND NAME HA   ) (RESID 51  AND NAME HB1  )    3.5   1.7   1.1
ASSIGN (RESID 46  AND NAME HA   ) (RESID 46  AND NAME HG2  )    3.4   1.6   1.0
ASSIGN (RESID 41  AND NAME HA   ) (RESID 44  AND NAME HB2  )    3.1   1.3   0.9
ASSIGN (RESID 23  AND NAME HA   ) (RESID 26  AND NAME HG   )    3.4   1.6   1.0
ASSIGN (RESID 38  AND NAME HE*  ) (RESID 38  AND NAME HB*  )    4.8   3.0   1.5
ASSIGN (RESID 39  AND NAME HB2  ) (RESID 39  AND NAME HG2  )    2.8   1.0   0.8
ASSIGN (RESID 35  AND NAME HB*  ) (RESID 38  AND NAME HB*  )    5.5   3.7   1.7
ASSIGN (RESID 23  AND NAME HG2* ) (RESID 57  AND NAME HG   )    3.9   2.1   1.2
ASSIGN (RESID 43  AND NAME HD1* ) (RESID 43  AND NAME HG   )    2.8   1.0   0.9
ASSIGN (RESID 57  AND NAME HD1* ) (RESID 57  AND NAME HG   )    2.7   0.9   0.8
ASSIGN (RESID 51  AND NAME HB2  ) (RESID 51  AND NAME HD*  )    3.3   1.5   1.0
ASSIGN (RESID 40  AND NAME HA   ) (RESID 39  AND NAME HG1  )    3.4   1.6   1.0
ASSIGN (RESID 41  AND NAME HA   ) (RESID 44  AND NAME HD1  )    4.4   2.6   1.3
ASSIGN (RESID 38  AND NAME HA   ) (RESID 38  AND NAME HD2  )    3.2   1.4   1.0
ASSIGN (RESID 53  AND NAME HA   ) (RESID 53  AND NAME HD*  )    3.8   2.0   1.1
ASSIGN (RESID 7   AND NAME HA   ) (RESID 7   AND NAME HG1  )    2.4   0.6   0.7
ASSIGN (RESID 38  AND NAME HA   ) (RESID 42  AND NAME HB*  )    5.2   3.4   1.6
ASSIGN (RESID 33  AND NAME HA   ) (RESID 35  AND NAME HB*  )    4.9   3.1   1.5
ASSIGN (RESID 28  AND NAME HB1  ) (RESID 24  AND NAME HB*  )    4.5   2.7   1.4
ASSIGN (RESID 38  AND NAME HE*  ) (RESID 38  AND NAME HG*  )    4.1   2.3   1.2
ASSIGN (RESID 1   AND NAME HB1  ) (RESID 3   AND NAME HB*  )    4.1   2.3   1.2
ASSIGN (RESID 60  AND NAME HB1  ) (RESID 60  AND NAME HG1  )    2.9   1.1   0.9
ASSIGN (RESID 44  AND NAME HB1  ) (RESID 44  AND NAME HG*  )    4.3   2.5   1.3
ASSIGN (RESID 51  AND NAME HB1  ) (RESID 51  AND NAME HG*  )    3.9   2.1   1.2
ASSIGN (RESID 60  AND NAME HD*  ) (RESID 60  AND NAME HG2  )    4.3   2.5   1.3
ASSIGN (RESID 23  AND NAME HG1* ) (RESID 53  AND NAME HG*  )    4.6   2.8   1.4
ASSIGN (RESID 23  AND NAME HG1* ) (RESID 23  AND NAME HG2* )    3.2   1.4   1.0
ASSIGN (RESID 5   AND NAME HD2* ) (RESID 40  AND NAME HG2* )    3.5   1.7   1.0
ASSIGN (RESID 37  AND NAME HD1  ) (RESID 5   AND NAME HD1* )    4.2   2.4   1.2
ASSIGN (RESID 36  AND NAME HA   ) (RESID 40  AND NAME HG2* )    4.0   2.2   1.2
ASSIGN (RESID 62  AND NAME HA*  ) (RESID 26  AND NAME HD1* )    4.7   2.9   1.4
ASSIGN (RESID 22  AND NAME HG1  ) (RESID 54  AND NAME HG1* )    3.9   2.1   1.2
ASSIGN (RESID 7   AND NAME HN   ) (RESID 6   AND NAME HG2  )    5.0   3.2   1.5
ASSIGN (RESID 25  AND NAME HN   ) (RESID 25  AND NAME HG2  )    3.6   1.8   1.1
ASSIGN (RESID 9   AND NAME HN   ) (RESID 8   AND NAME HB2  )    3.1   1.3   0.9
ASSIGN (RESID 8   AND NAME HN   ) (RESID 8   AND NAME HB2  )    2.6   0.8   0.8
ASSIGN (RESID 20  AND NAME HN   ) (RESID 20  AND NAME HG1  )    3.0   1.2   0.9
ASSIGN (RESID 11  AND NAME HN   ) (RESID 11  AND NAME HB1  )    3.0   1.2   0.9
ASSIGN (RESID 29  AND NAME HN   ) (RESID 29  AND NAME HB1  )    3.1   1.3   0.9
ASSIGN (RESID 3   AND NAME HN   ) (RESID 1   AND NAME HB2  )    3.9   2.1   1.2
ASSIGN (RESID 2   AND NAME HN   ) (RESID 2   AND NAME HB   )    2.4   0.6   0.7
ASSIGN (RESID 3   AND NAME HN   ) (RESID 1   AND NAME HB1  )    2.9   1.1   0.9
ASSIGN (RESID 16  AND NAME HD21 ) (RESID 43  AND NAME HB2  )    3.9   2.1   1.1
ASSIGN (RESID 54  AND NAME HN   ) (RESID 53  AND NAME HB1  )    2.8   1.0   0.8
ASSIGN (RESID 6   AND NAME HN   ) (RESID 6   AND NAME HB1  )    3.2   1.4   1.0
ASSIGN (RESID 51  AND NAME HN   ) (RESID 51  AND NAME HB2  )    2.5   0.7   0.8
ASSIGN (RESID 46  AND NAME HN   ) (RESID 46  AND NAME HG2  )    3.6   1.8   1.0
ASSIGN (RESID 5   AND NAME HN   ) (RESID 5   AND NAME HG   )    2.4   0.6   0.7
ASSIGN (RESID 44  AND NAME HN   ) (RESID 44  AND NAME HB1  )    2.9   1.1   0.8
ASSIGN (RESID 46  AND NAME HN   ) (RESID 46  AND NAME HG1  )    3.5   1.7   1.0
ASSIGN (RESID 37  AND NAME HN   ) (RESID 38  AND NAME HD2  )    3.5   1.7   1.0
ASSIGN (RESID 36  AND NAME HN   ) (RESID 36  AND NAME HB1  )    3.1   1.3   0.9
ASSIGN (RESID 57  AND NAME HN   ) (RESID 57  AND NAME HB1  )    3.1   1.3   0.9
ASSIGN (RESID 26  AND NAME HN   ) (RESID 26  AND NAME HB1  )    3.4   1.6   1.0
ASSIGN (RESID 43  AND NAME HN   ) (RESID 43  AND NAME HB1  )    3.3   1.5   1.0
ASSIGN (RESID 19  AND NAME HN   ) (RESID 19  AND NAME HB1  )    3.1   1.3   0.9
ASSIGN (RESID 6   AND NAME HN   ) (RESID 36  AND NAME HD2* )    4.9   3.1   1.4
ASSIGN (RESID 58  AND NAME HN   ) (RESID 26  AND NAME HD2* )    4.6   2.8   1.4
ASSIGN (RESID 26  AND NAME HN   ) (RESID 26  AND NAME HD1* )    4.1   2.3   1.2
ASSIGN (RESID 16  AND NAME HD22 ) (RESID 43  AND NAME HD1* )    5.5   3.7   1.7
ASSIGN (RESID 16  AND NAME HD21 ) (RESID 16  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 16  AND NAME HD22 ) (RESID 16  AND NAME HA   )    4.6   2.8   1.4
ASSIGN (RESID 35  AND NAME HN   ) (RESID 32  AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 20  AND NAME HN   ) (RESID 17  AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID 52  AND NAME HN   ) (RESID 48  AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID 14  AND NAME HN   ) (RESID 11  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 52  AND NAME HE21 ) (RESID 49  AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID 54  AND NAME HN   ) (RESID 53  AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID 37  AND NAME HN   ) (RESID 36  AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID 37  AND NAME HN   ) (RESID 34  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 38  AND NAME HN   ) (RESID 34  AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 30  AND NAME HN   ) (RESID 27  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 29  AND NAME HN   ) (RESID 28  AND NAME HB2  )    3.2   1.4   1.0
ASSIGN (RESID 60  AND NAME HN   ) (RESID 59  AND NAME HB2  )    3.2   1.4   1.0
ASSIGN (RESID 61  AND NAME HN   ) (RESID 61  AND NAME HB1  )    3.2   1.4   0.9
ASSIGN (RESID 37  AND NAME HN   ) (RESID 5   AND NAME HD1* )    4.5   2.7   1.3
ASSIGN (RESID 60  AND NAME HN   ) (RESID 60  AND NAME HG2  )    4.3   2.5   1.3
ASSIGN (RESID 51  AND NAME HN   ) (RESID 51  AND NAME HB1  )    3.0   1.2   0.9
ASSIGN (RESID 37  AND NAME HN   ) (RESID 37  AND NAME HB1  )    2.8   1.0   0.8
ASSIGN (RESID 33  AND NAME HN   ) (RESID 32  AND NAME HB2  )    3.4   1.6   1.0
ASSIGN (RESID 45  AND NAME HN   ) (RESID 44  AND NAME HB2  )    2.2   0.4   0.7
ASSIGN (RESID 4   AND NAME HN   ) (RESID 4   AND NAME HB1  )    3.1   1.3   0.9
ASSIGN (RESID 35  AND NAME HN   ) (RESID 34  AND NAME HB2  )    3.0   1.2   0.9
ASSIGN (RESID 25  AND NAME HN   ) (RESID 25  AND NAME HG1  )    4.2   2.4   1.2
ASSIGN (RESID 14  AND NAME HN   ) (RESID 13  AND NAME HG2  )    5.0   3.2   1.5
ASSIGN (RESID 16  AND NAME HD22 ) (RESID 20  AND NAME HG2  )    4.1   2.3   1.2
ASSIGN (RESID 5   AND NAME HN   ) (RESID 8   AND NAME HG2  )    5.0   3.2   1.5
ASSIGN (RESID 17  AND NAME HN   ) (RESID 18  AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID 6   AND NAME HN   ) (RESID 5   AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 37  AND NAME HN   ) (RESID 35  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 36  AND NAME HN   ) (RESID 35  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 39  AND NAME HN   ) (RESID 38  AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 39  AND NAME HN   ) (RESID 35  AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID 28  AND NAME HN   ) (RESID 25  AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID 4   AND NAME HN   ) (RESID 1   AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 47  AND NAME HD22 ) (RESID 44  AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID 10  AND NAME HN   ) (RESID 7   AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 47  AND NAME HN   ) (RESID 47  AND NAME HD22 )    5.0   3.2   1.5
ASSIGN (RESID 16  AND NAME HN   ) (RESID 16  AND NAME HD22 )    5.0   3.2   1.5
ASSIGN (RESID 16  AND NAME HN   ) (RESID 16  AND NAME HD21 )    3.7   1.9   1.1
ASSIGN (RESID 2   AND NAME HN   ) (RESID 4   AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID 19  AND NAME HN   ) (RESID 17  AND NAME HN   )    3.3   1.5   0.9
ASSIGN (RESID 28  AND NAME HN   ) (RESID 30  AND NAME HN   )    3.0   1.2   0.9
ASSIGN (RESID 12  AND NAME HB*  ) (RESID 9   AND NAME HN   )    4.9   3.1   1.5
ASSIGN (RESID 37  AND NAME HD2  ) (RESID 37  AND NAME HN   )    3.5   1.7   1.0
ASSIGN (RESID 34  AND NAME HB1  ) (RESID 34  AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID 8   AND NAME HG1  ) (RESID 8   AND NAME HN   )    3.8   2.0   1.0
ASSIGN (RESID 44  AND NAME HD2  ) (RESID 46  AND NAME HN   )    4.8   3.0   1.4
ASSIGN (RESID 39  AND NAME HB2  ) (RESID 38  AND NAME HN   )    4.0   2.2   1.1
ASSIGN (RESID 58  AND NAME HA   ) (RESID 59  AND NAME HN   )    3.1   1.3   0.9
ASSIGN (RESID 54  AND NAME HA   ) (RESID 55  AND NAME HN   )    3.1   1.3   0.9
ASSIGN (RESID 1   AND NAME HG1  ) (RESID 4   AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID 53  AND NAME HB1  ) (RESID 53  AND NAME HN   )    2.9   1.1   0.8
ASSIGN (RESID 6   AND NAME HB1  ) (RESID 7   AND NAME HN   )    5.0   3.2   1.5
ASSIGN (RESID 43  AND NAME HB2  ) (RESID 16  AND NAME HD22 )    5.0   3.2   1.4
ASSIGN (RESID 28  AND NAME HB1  ) (RESID 28  AND NAME HA   )    2.5   0.7   0.7
ASSIGN (RESID 33  AND NAME HG2* ) (RESID 32  AND NAME HA   )    4.9   3.1   1.5
ASSIGN (RESID 19  AND NAME HB1  ) (RESID 16  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 11  AND NAME HB1  ) (RESID 12  AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID 17  AND NAME HB1  ) (RESID 14  AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 28  AND NAME HB2  ) (RESID 25  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 8   AND NAME HG2  ) (RESID 8   AND NAME HA   )    3.9   2.1   1.2
ASSIGN (RESID 4   AND NAME HB2  ) (RESID 1   AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID 8   AND NAME HG1  ) (RESID 8   AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 11  AND NAME HB1  ) (RESID 8   AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 11  AND NAME HB1  ) (RESID 11  AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 8   AND NAME HG1  ) (RESID 5   AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID 5   AND NAME HG   ) (RESID 5   AND NAME HA   )    3.6   1.8   1.1
ASSIGN (RESID 26  AND NAME HD1* ) (RESID 26  AND NAME HA   )    3.9   2.1   1.2
ASSIGN (RESID 19  AND NAME HD1* ) (RESID 19  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 57  AND NAME HD1* ) (RESID 27  AND NAME HA   )    5.5   3.7   1.7
ASSIGN (RESID 9   AND NAME HG1* ) (RESID 6   AND NAME HA   )    4.9   3.1   1.5
ASSIGN (RESID 37  AND NAME HD1  ) (RESID 37  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 37  AND NAME HD2  ) (RESID 37  AND NAME HA   )    4.2   2.4   1.2
ASSIGN (RESID 6   AND NAME HB1  ) (RESID 6   AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 34  AND NAME HB1  ) (RESID 34  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 20  AND NAME HG1  ) (RESID 20  AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID 46  AND NAME HD1  ) (RESID 43  AND NAME HA   )    4.7   2.9   1.4
ASSIGN (RESID 43  AND NAME HD2* ) (RESID 9   AND NAME HA   )    5.5   3.7   1.7
ASSIGN (RESID 57  AND NAME HD2* ) (RESID 54  AND NAME HA   )    4.6   2.8   1.3
ASSIGN (RESID 26  AND NAME HD2* ) (RESID 54  AND NAME HA   )    4.8   3.0   1.3
ASSIGN (RESID 43  AND NAME HB1  ) (RESID 40  AND NAME HA   )    3.9   2.1   1.1
ASSIGN (RESID 39  AND NAME HG2  ) (RESID 40  AND NAME HA   )    4.3   2.5   1.2
ASSIGN (RESID 13  AND NAME HB2  ) (RESID 9   AND NAME HA   )    4.2   2.4   1.2
ASSIGN (RESID 26  AND NAME HB1  ) (RESID 23  AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID 26  AND NAME HD2* ) (RESID 23  AND NAME HA   )    5.5   3.7   1.7
ASSIGN (RESID 57  AND NAME HD2* ) (RESID 23  AND NAME HA   )    4.4   2.6   1.3
ASSIGN (RESID 43  AND NAME HD2* ) (RESID 47  AND NAME HB2  )    5.5   3.7   1.7
ASSIGN (RESID 38  AND NAME HD2  ) (RESID 37  AND NAME HE2  )    3.8   2.0   1.0
ASSIGN (RESID 5   AND NAME HD2* ) (RESID 37  AND NAME HE2  )    5.5   3.7   1.7
ASSIGN (RESID 16  AND NAME HB1  ) (RESID 43  AND NAME HD1* )    5.1   3.3   1.5
ASSIGN (RESID 11  AND NAME HB1  ) (RESID 11  AND NAME HG2  )    1.9   0.1   0.6
ASSIGN (RESID 26  AND NAME HG   ) (RESID 22  AND NAME HG2  )    4.4   2.6   1.3
ASSIGN (RESID 5   AND NAME HD1* ) (RESID 4   AND NAME HB2  )    5.5   3.7   1.7
ASSIGN (RESID 34  AND NAME HB1  ) (RESID 32  AND NAME HG1  )    3.4   1.6   1.0
ASSIGN (RESID 22  AND NAME HG2  ) (RESID 25  AND NAME HB2  )    5.5   3.7   1.6
ASSIGN (RESID 5   AND NAME HA   ) (RESID 8   AND NAME HB1  )    2.3   0.5   0.7
ASSIGN (RESID 13  AND NAME HA   ) (RESID 13  AND NAME HB1  )    2.5   0.7   0.7
ASSIGN (RESID 4   AND NAME HA   ) (RESID 7   AND NAME HB*  )    3.2   1.4   1.0
ASSIGN (RESID 1   AND NAME HA   ) (RESID 1   AND NAME HB1  )    2.5   0.7   0.8
ASSIGN (RESID 60  AND NAME HA   ) (RESID 60  AND NAME HB1  )    2.5   0.7   0.8
ASSIGN (RESID 4   AND NAME HB2  ) (RESID 5   AND NAME HB2  )    3.4   1.6   1.0
ASSIGN (RESID 3   AND NAME HB*  ) (RESID 1   AND NAME HB2  )    4.7   2.9   1.4
ASSIGN (RESID 43  AND NAME HD1* ) (RESID 9   AND NAME HB   )    5.5   3.7   1.7
ASSIGN (RESID 19  AND NAME HD2* ) (RESID 19  AND NAME HB2  )    3.4   1.6   1.0
ASSIGN (RESID 43  AND NAME HD2* ) (RESID 39  AND NAME HG1  )    5.0   3.2   1.5
ASSIGN (RESID 40  AND NAME HG2* ) (RESID 12  AND NAME HB*  )    5.5   3.7   1.7
ASSIGN (RESID 60  AND NAME HA   ) (RESID 60  AND NAME HG2  )    2.8   1.0   0.9
ASSIGN (RESID 49  AND NAME HB*  ) (RESID 53  AND NAME HG*  )    4.4   2.6   1.2
ASSIGN (RESID 57  AND NAME HD2* ) (RESID 53  AND NAME HG*  )    5.5   3.7   1.7
ASSIGN (RESID 39  AND NAME HG1  ) (RESID 40  AND NAME HG2* )    5.5   3.7   1.7
ASSIGN (RESID 57  AND NAME HA   ) (RESID 57  AND NAME HD1* )    3.7   1.9   1.1
ASSIGN (RESID 27  AND NAME HB2  ) (RESID 57  AND NAME HD2* )    4.7   2.9   1.4
ASSIGN (RESID 50  AND NAME HB*  ) (RESID 19  AND NAME HD2* )    4.3   2.5   1.2
ASSIGN (RESID 54  AND NAME HG2* ) (RESID 19  AND NAME HD1* )    4.3   2.5   1.2
ASSIGN (RESID 57  AND NAME HN   ) (RESID 53  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 22  AND NAME HN   ) (RESID 21  AND NAME HG*  )    3.8   2.0   1.1
ASSIGN (RESID 35  AND NAME HN   ) (RESID 34  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 5   AND NAME HN   ) (RESID 5   AND NAME HB1  )    3.0   1.2   0.9
ASSIGN (RESID 40  AND NAME HN   ) (RESID 39  AND NAME HB2  )    3.2   1.4   0.9
ASSIGN (RESID 57  AND NAME HN   ) (RESID 54  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 33  AND NAME HN   ) (RESID 36  AND NAME HN   )    5.0   3.2   1.5
ASSIGN (RESID 55  AND NAME HN   ) (RESID 51  AND NAME HA   )    3.5   1.7   1.1
ASSIGN (RESID 55  AND NAME HN   ) (RESID 52  AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 41  AND NAME HN   ) (RESID 37  AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 45  AND NAME HN   ) (RESID 41  AND NAME HA   )    3.6   1.8   1.1
ASSIGN (RESID 19  AND NAME HN   ) (RESID 19  AND NAME HG   )    2.4   0.6   0.7
ASSIGN (RESID 17  AND NAME HN   ) (RESID 43  AND NAME HD2* )    5.5   3.7   1.7
ASSIGN (RESID 34  AND NAME HN   ) (RESID 33  AND NAME HG2* )    3.8   2.0   1.1
ASSIGN (RESID 37  AND NAME HN   ) (RESID 40  AND NAME HG2* )    4.6   2.8   1.3
ASSIGN (RESID 43  AND NAME HB2  ) (RESID 13  AND NAME HN   )    4.1   2.3   1.2
ASSIGN (RESID 29  AND NAME HB1  ) (RESID 30  AND NAME HN   )    3.2   1.4   1.0
ASSIGN (RESID 4   AND NAME HB1  ) (RESID 5   AND NAME HN   )    2.8   1.0   0.8
ASSIGN (RESID 4   AND NAME HB2  ) (RESID 7   AND NAME HN   )    4.2   2.4   1.2
ASSIGN (RESID 38  AND NAME HA   ) (RESID 41  AND NAME HG2  )    2.8   1.0   0.8
ASSIGN (RESID 37  AND NAME HB2  ) (RESID 38  AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID 19  AND NAME HG   ) (RESID 19  AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID 45  AND NAME HB*  ) (RESID 46  AND NAME HA   )    4.5   2.7   1.3
ASSIGN (RESID 14  AND NAME HB*  ) (RESID 11  AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 43  AND NAME HD1* ) (RESID 43  AND NAME HA   )    4.0   2.2   1.2
ASSIGN (RESID 23  AND NAME HG1* ) (RESID 27  AND NAME HA   )    5.5   3.7   1.7
ASSIGN (RESID 19  AND NAME HB2  ) (RESID 20  AND NAME HA   )    3.2   1.4   0.9
ASSIGN (RESID 2   AND NAME HA   ) (RESID 5   AND NAME HA   )    4.4   2.6   1.2
ASSIGN (RESID 36  AND NAME HB1  ) (RESID 37  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 43  AND NAME HG   ) (RESID 39  AND NAME HD2  )    3.9   2.1   1.2
ASSIGN (RESID 40  AND NAME HG1* ) (RESID 8   AND NAME HG2  )    5.5   3.7   1.7
ASSIGN (RESID 51  AND NAME HD*  ) (RESID 19  AND NAME HD2* )    5.5   3.7   1.7
ASSIGN (RESID 37  AND NAME HN   ) (RESID 33  AND NAME HG1* )    5.3   3.5   1.6
ASSIGN (RESID 15  AND NAME HN   ) (RESID 12  AND NAME HB*  )    4.9   3.1   1.5
ASSIGN (RESID 16  AND NAME HD21 ) (RESID 46  AND NAME HG1  )    3.9   2.1   1.2
ASSIGN (RESID 39  AND NAME HN   ) (RESID 39  AND NAME HG2  )    4.3   2.5   1.3
ASSIGN (RESID 56  AND NAME HN   ) (RESID 54  AND NAME HB   )    3.8   2.0   1.1
ASSIGN (RESID 6   AND NAME HN   ) (RESID 4   AND NAME HB2  )    3.8   2.0   1.0
ASSIGN (RESID 34  AND NAME HN   ) (RESID 33  AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID 59  AND NAME HN   ) (RESID 55  AND NAME HA   )    3.3   1.5   0.9
ASSIGN (RESID 59  AND NAME HN   ) (RESID 56  AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID 3   AND NAME HN   ) (RESID 4   AND NAME HA   )    4.3   2.5   1.3
ASSIGN (RESID 51  AND NAME HN   ) (RESID 50  AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID 19  AND NAME HN   ) (RESID 15  AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 23  AND NAME HN   ) (RESID 19  AND NAME HA   )    3.2   1.4   0.9
ASSIGN (RESID 15  AND NAME HN   ) (RESID 12  AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID 33  AND NAME HN   ) (RESID 35  AND NAME HN   )    3.2   1.4   0.9
ASSIGN (RESID 35  AND NAME HN   ) (RESID 37  AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID 24  AND NAME HN   ) (RESID 27  AND NAME HN   )    5.0   3.2   1.5
ASSIGN (RESID 2   AND NAME HB   ) (RESID 6   AND NAME HN   )    4.9   3.1   1.5
ASSIGN (RESID 12  AND NAME HN   ) (RESID 13  AND NAME HB2  )    3.6   1.8   1.0
ASSIGN (RESID 12  AND NAME HA   ) (RESID 14  AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID 25  AND NAME HB1  ) (RESID 22  AND NAME HN   )    4.3   2.5   1.2
ASSIGN (RESID 50  AND NAME HA   ) (RESID 52  AND NAME HN   )    4.1   2.3   1.2
ASSIGN (RESID 16  AND NAME HB1  ) (RESID 47  AND NAME HD22 )    5.0   3.2   1.5
ASSIGN (RESID 35  AND NAME HB*  ) (RESID 32  AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID 15  AND NAME HB2  ) (RESID 12  AND NAME HA   )    4.7   2.9   1.4
ASSIGN (RESID 43  AND NAME HA   ) (RESID 42  AND NAME HA   )    4.0   2.2   1.1
ASSIGN (RESID 36  AND NAME HA   ) (RESID 39  AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID 33  AND NAME HA   ) (RESID 36  AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID 59  AND NAME HB1  ) (RESID 60  AND NAME HA   )    3.5   1.7   0.9
ASSIGN (RESID 34  AND NAME HG*  ) (RESID 35  AND NAME HA   )    5.5   3.7   1.7
ASSIGN (RESID 13  AND NAME HB2  ) (RESID 13  AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID 22  AND NAME HG1  ) (RESID 22  AND NAME HA   )    2.5   0.7   0.8
ASSIGN (RESID 8   AND NAME HB1  ) (RESID 8   AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID 29  AND NAME HB2  ) (RESID 29  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 4   AND NAME HB1  ) (RESID 5   AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID 29  AND NAME HB2  ) (RESID 26  AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID 33  AND NAME HB   ) (RESID 1   AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID 53  AND NAME HB1  ) (RESID 50  AND NAME HA   )    3.0   1.2   0.8
ASSIGN (RESID 60  AND NAME HB2  ) (RESID 57  AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID 26  AND NAME HG   ) (RESID 26  AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID 9   AND NAME HG2* ) (RESID 39  AND NAME HA   )    5.5   3.7   1.7
ASSIGN (RESID 23  AND NAME HG1* ) (RESID 20  AND NAME HA   )    4.2   2.4   1.2
ASSIGN (RESID 38  AND NAME HD2  ) (RESID 37  AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID 54  AND NAME HB   ) (RESID 55  AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID 41  AND NAME HG1  ) (RESID 41  AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID 61  AND NAME HB1  ) (RESID 58  AND NAME HA   )    4.6   2.8   1.2
ASSIGN (RESID 54  AND NAME HA   ) (RESID 51  AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID 9   AND NAME HA   ) (RESID 6   AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID 40  AND NAME HA   ) (RESID 37  AND NAME HA   )    4.1   2.3   1.2
ASSIGN (RESID 40  AND NAME HA   ) (RESID 41  AND NAME HA   )    4.1   2.3   1.2
ASSIGN (RESID 5   AND NAME HD2* ) (RESID 33  AND NAME HA   )    5.1   3.3   1.5
ASSIGN (RESID 39  AND NAME HB1  ) (RESID 40  AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID 5   AND NAME HB2  ) (RESID 33  AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID 27  AND NAME HB2  ) (RESID 28  AND NAME HB2  )    3.5   1.7   1.0
ASSIGN (RESID 27  AND NAME HB2  ) (RESID 28  AND NAME HB1  )    3.8   2.0   1.1
ASSIGN (RESID 39  AND NAME HB1  ) (RESID 39  AND NAME HD1  )    3.2   1.4   1.0
ASSIGN (RESID 22  AND NAME HA   ) (RESID 25  AND NAME HB2  )    2.8   1.0   0.8
ASSIGN (RESID 27  AND NAME HG2  ) (RESID 23  AND NAME HB   )    4.2   2.4   1.3
ASSIGN (RESID 19  AND NAME HG   ) (RESID 15  AND NAME HG1  )    5.0   3.2   1.5
ASSIGN (RESID 54  AND NAME HG2* ) (RESID 22  AND NAME HG1  )    4.0   2.2   1.2
ASSIGN (RESID 19  AND NAME HD2* ) (RESID 15  AND NAME HG1  )    5.0   3.2   1.4
ASSIGN (RESID 26  AND NAME HD2* ) (RESID 57  AND NAME HB2  )    3.9   2.1   1.2
ASSIGN (RESID 36  AND NAME HA   ) (RESID 38  AND NAME HB*  )    4.9   3.1   1.3
ASSIGN (RESID 2   AND NAME HA   ) (RESID 5   AND NAME HG   )    4.1   2.3   1.2
ASSIGN (RESID 37  AND NAME HB2  ) (RESID 37  AND NAME HD2  )    2.9   1.1   0.8
ASSIGN (RESID 36  AND NAME HD2* ) (RESID 35  AND NAME HB*  )    5.5   3.7   1.7
ASSIGN (RESID 39  AND NAME HA   ) (RESID 9   AND NAME HG1* )    4.7   2.9   1.4


{  Dihedral Constraints }

{*J-HN-HA < 6 Hz*}
       assign ( resid 1A and name c )
              ( resid  1 and name n )
              ( resid  1 and name ca )
              ( resid  1 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid  1 and name c )
              ( resid  2 and name n )
              ( resid  2 and name ca )
              ( resid  2 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid  2 and name c )
              ( resid  3 and name n )
              ( resid  3 and name ca )
              ( resid  3 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid  3 and name c )
              ( resid  4 and name n )
              ( resid  4 and name ca )
              ( resid  4 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid  5 and name c )
              ( resid  6 and name n )
              ( resid  6 and name ca )
              ( resid  6 and name c ) 1.0 -60.0 30.0 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 ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid  7 and name c )
              ( resid  8 and name n )
              ( resid  8 and name ca )
              ( resid  8 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid  8 and name c )
              ( resid  9 and name n )
              ( resid  9 and name ca )
              ( resid  9 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid  9 and name c )
              ( resid 10 and name n )
              ( resid 10 and name ca )
              ( resid 10 and name c ) 1.0 -60.0 30.0 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 ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 11 and name c )
              ( resid 12 and name n )
              ( resid 12 and name ca )
              ( resid 12 and name c ) 1.0 -60.0 30.0 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 ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 13 and name c )
              ( resid 14 and name n )
              ( resid 14 and name ca )
              ( resid 14 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 14 and name c )
              ( resid 15 and name n )
              ( resid 15 and name ca )
              ( resid 15 and name c ) 1.0 -60.0 30.0 2
{*J-HN-HA < 6 Hz*}
       assign ( resid 15 and name c )
              ( resid 16 and name n )
              ( resid 16 and name ca )
              ( resid 16 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 16 and name c )
              ( resid 17 and name n )
              ( resid 17 and name ca )
              ( resid 17 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 17 and name c )
              ( resid 18 and name n )
              ( resid 18 and name ca )
              ( resid 18 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 18 and name c )
              ( resid 19 and name n )
              ( resid 19 and name ca )
              ( resid 19 and name c ) 1.0 -60.0 30.0 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 ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 21 and name c )
              ( resid 22 and name n )
              ( resid 22 and name ca )
              ( resid 22 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 22 and name c )
              ( resid 23 and name n )
              ( resid 23 and name ca )
              ( resid 23 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 23 and name c )
              ( resid 24 and name n )
              ( resid 24 and name ca )
              ( resid 24 and name c ) 1.0 -60.0 30.0 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 ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 26 and name c )
              ( resid 27 and name n )
              ( resid 27 and name ca )
              ( resid 27 and name c ) 1.0 -60.0 30.0 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 ) 1.0 -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 ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 32A and name c )
              ( resid 32 and name n )
              ( resid 32 and name ca )
              ( resid 32 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 32 and name c )
              ( resid 33 and name n )
              ( resid 33 and name ca )
              ( resid 33 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 33 and name c )
              ( resid 34 and name n )
              ( resid 34 and name ca )
              ( resid 34 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 34 and name c )
              ( resid 35 and name n )
              ( resid 35 and name ca )
              ( resid 35 and name c ) 1.0 -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 ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 37 and name c )
              ( resid 38 and name n )
              ( resid 38 and name ca )
              ( resid 38 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 38 and name c )
              ( resid 39 and name n )
              ( resid 39 and name ca )
              ( resid 39 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 39 and name c )
              ( resid 40 and name n )
              ( resid 40 and name ca )
              ( resid 40 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 40 and name c )
              ( resid 41 and name n )
              ( resid 41 and name ca )
              ( resid 41 and name c ) 1.0 -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 ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 42 and name c )
              ( resid 43 and name n )
              ( resid 43 and name ca )
              ( resid 43 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 43 and name c )
              ( resid 44 and name n )
              ( resid 44 and name ca )
              ( resid 44 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 44 and name c )
              ( resid 45 and name n )
              ( resid 45 and name ca )
              ( resid 45 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 45 and name c )
              ( resid 46 and name n )
              ( resid 46 and name ca )
              ( resid 46 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 46 and name c )
              ( resid 47 and name n )
              ( resid 47 and name ca )
              ( resid 47 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 47 and name c )
              ( resid 48 and name n )
              ( resid 48 and name ca )
              ( resid 48 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 48 and name c )
              ( resid 49 and name n )
              ( resid 49 and name ca )
              ( resid 49 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 49 and name c )
              ( resid 50 and name n )
              ( resid 50 and name ca )
              ( resid 50 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 50 and name c )
              ( resid 51 and name n )
              ( resid 51 and name ca )
              ( resid 51 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 51 and name c )
              ( resid 52 and name n )
              ( resid 52 and name ca )
              ( resid 52 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 52 and name c )
              ( resid 53 and name n )
              ( resid 53 and name ca )
              ( resid 53 and name c ) 1.0 -60.0 30.0 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 ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 54 and name c )
              ( resid 55 and name n )
              ( resid 55 and name ca )
              ( resid 55 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 55 and name c )
              ( resid 56 and name n )
              ( resid 56 and name ca )
              ( resid 56 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 56 and name c )
              ( resid 57 and name n )
              ( resid 57 and name ca )
              ( resid 57 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 57 and name c )
              ( resid 58 and name n )
              ( resid 58 and name ca )
              ( resid 58 and name c ) 1.0 -60.0 30.0 2

       assign ( resid 16 and name n )
              ( resid 16 and name ca )
              ( resid 16 and name cb )
              ( resid 16 and name cg ) 1.0 180.0 30.0 2

       assign ( resid 47 and name n )
              ( resid 47 and name ca )
              ( resid 47 and name cb )
              ( resid 47 and name cg) 1.0 -60.0 30.0 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ACE   0          1H        ACE   0 -19.398   2.019  -6.900
    2   2H    ACE   0          2H        ACE   0 -18.782   0.553  -7.668
    3   3H    ACE   0          3H        ACE   0 -17.855   1.334  -6.384
    4    H    GLU   1           H        GLU   1 -18.965  -1.421  -6.615
    5    HA   GLU   1           HA       GLU   1 -21.037  -1.542  -4.603
    6   1HB   GLU   1          1HB       GLU   1 -21.106  -3.114  -6.464
    7   2HB   GLU   1          2HB       GLU   1 -19.524  -3.739  -6.017
    8   1HG   GLU   1          1HG       GLU   1 -21.226  -5.260  -5.270
    9   2HG   GLU   1          2HG       GLU   1 -20.457  -4.493  -3.875
   10    H    VAL   2           H        VAL   2 -20.830  -2.686  -2.600
   11    HA   VAL   2           HA       VAL   2 -18.618  -1.975  -1.054
   12    HB   VAL   2           HB       VAL   2 -20.497  -4.270  -0.483
   13   1HG1  VAL   2          1HG1      VAL   2 -18.622  -2.649   1.188
   14   2HG1  VAL   2          2HG1      VAL   2 -20.037  -3.413   1.907
   15   3HG1  VAL   2          3HG1      VAL   2 -18.815  -4.399   1.106
   16   1HG2  VAL   2          1HG2      VAL   2 -20.889  -1.333  -0.346
   17   2HG2  VAL   2          2HG2      VAL   2 -22.044  -2.613  -0.715
   18   3HG2  VAL   2          3HG2      VAL   2 -21.561  -2.316   0.955
   19    H    ALA   3           H        ALA   3 -19.483  -5.123  -2.473
   20    HA   ALA   3           HA       ALA   3 -17.299  -6.596  -1.556
   21   1HB   ALA   3          1HB       ALA   3 -19.459  -6.976  -3.370
   22   2HB   ALA   3          2HB       ALA   3 -17.977  -7.551  -4.132
   23   3HB   ALA   3          3HB       ALA   3 -18.466  -8.189  -2.563
   24    H    GLN   4           H        GLN   4 -17.641  -4.562  -4.417
   25    HA   GLN   4           HA       GLN   4 -15.188  -5.225  -5.657
   26   1HB   GLN   4          1HB       GLN   4 -16.521  -2.522  -5.755
   27   2HB   GLN   4          2HB       GLN   4 -15.476  -3.244  -6.968
   28   1HG   GLN   4          1HG       GLN   4 -17.293  -5.014  -7.226
   29   2HG   GLN   4          2HG       GLN   4 -18.316  -3.919  -6.299
   30   1HE2  GLN   4          1HE2      GLN   4 -17.926  -3.382 -10.191
   31   2HE2  GLN   4          2HE2      GLN   4 -17.504  -4.820  -9.328
   32    H    LEU   5           H        LEU   5 -16.127  -2.643  -3.450
   33    HA   LEU   5           HA       LEU   5 -13.607  -1.403  -3.314
   34   1HB   LEU   5          1HB       LEU   5 -15.959  -1.435  -1.449
   35   2HB   LEU   5          2HB       LEU   5 -14.545  -0.431  -1.178
   36    HG   LEU   5           HG       LEU   5 -16.341  -0.284  -3.603
   37   1HD1  LEU   5          1HD1      LEU   5 -16.933   0.557  -1.076
   38   2HD1  LEU   5          2HD1      LEU   5 -16.195   1.993  -1.783
   39   3HD1  LEU   5          3HD1      LEU   5 -17.591   1.247  -2.560
   40   1HD2  LEU   5          1HD2      LEU   5 -13.751   0.460  -3.504
   41   2HD2  LEU   5          2HD2      LEU   5 -14.973   1.294  -4.468
   42   3HD2  LEU   5          3HD2      LEU   5 -14.519   1.921  -2.884
   43    H    GLU   6           H        GLU   6 -15.077  -4.012  -1.451
   44    HA   GLU   6           HA       GLU   6 -13.084  -4.176   0.543
   45   1HB   GLU   6          1HB       GLU   6 -15.119  -6.119  -0.506
   46   2HB   GLU   6          2HB       GLU   6 -13.929  -6.620   0.688
   47   1HG   GLU   6          1HG       GLU   6 -15.811  -4.305   1.051
   48   2HG   GLU   6          2HG       GLU   6 -16.124  -5.940   1.629
   49    H    LYS   7           H        LYS   7 -13.411  -5.723  -2.640
   50    HA   LYS   7           HA       LYS   7 -11.071  -7.317  -2.303
   51   1HB   LYS   7          1HB       LYS   7 -11.371  -8.040  -4.515
   52   2HB   LYS   7          2HB       LYS   7 -13.001  -7.773  -3.906
   53   1HG   LYS   7          1HG       LYS   7 -13.346  -5.955  -5.209
   54   2HG   LYS   7          2HG       LYS   7 -11.631  -5.549  -5.234
   55   1HD   LYS   7          1HD       LYS   7 -12.383  -6.292  -7.439
   56   2HD   LYS   7          2HD       LYS   7 -11.208  -7.420  -6.759
   57   1HE   LYS   7          1HE       LYS   7 -13.120  -8.830  -5.990
   58   2HE   LYS   7          2HE       LYS   7 -14.204  -7.747  -6.863
   59   1HZ   LYS   7          1HZ       LYS   7 -12.491  -8.316  -8.790
   60   2HZ   LYS   7          2HZ       LYS   7 -12.348  -9.744  -7.887
   61   3HZ   LYS   7          3HZ       LYS   7 -13.866  -9.264  -8.482
   62    H    GLU   8           H        GLU   8 -11.702  -4.083  -3.201
   63    HA   GLU   8           HA       GLU   8  -9.175  -3.611  -4.503
   64   1HB   GLU   8          1HB       GLU   8 -11.140  -2.308  -5.122
   65   2HB   GLU   8          2HB       GLU   8 -11.333  -1.760  -3.465
   66   1HG   GLU   8          1HG       GLU   8 -10.409   0.002  -4.749
   67   2HG   GLU   8          2HG       GLU   8  -9.169  -0.587  -3.646
   68    H    VAL   9           H        VAL   9 -10.650  -3.021  -1.337
   69    HA   VAL   9           HA       VAL   9  -8.457  -1.660  -0.180
   70    HB   VAL   9           HB       VAL   9 -10.670  -3.297   1.097
   71   1HG1  VAL   9          1HG1      VAL   9  -8.513  -3.163   2.457
   72   2HG1  VAL   9          2HG1      VAL   9  -8.834  -1.432   2.579
   73   3HG1  VAL   9          3HG1      VAL   9  -9.986  -2.590   3.239
   74   1HG2  VAL   9          1HG2      VAL   9 -10.801  -0.857  -0.089
   75   2HG2  VAL   9          2HG2      VAL   9 -11.873  -1.407   1.197
   76   3HG2  VAL   9          3HG2      VAL   9 -10.468  -0.410   1.584
   77    H    ALA  10           H        ALA  10  -9.393  -5.061  -0.369
   78    HA   ALA  10           HA       ALA  10  -7.250  -6.095   1.163
   79   1HB   ALA  10          1HB       ALA  10  -8.956  -7.375  -0.965
   80   2HB   ALA  10          2HB       ALA  10  -7.818  -8.251   0.059
   81   3HB   ALA  10          3HB       ALA  10  -9.206  -7.434   0.779
   82    H    GLN  11           H        GLN  11  -7.525  -5.044  -2.130
   83    HA   GLN  11           HA       GLN  11  -5.207  -6.373  -3.133
   84   1HB   GLN  11          1HB       GLN  11  -7.145  -5.386  -4.500
   85   2HB   GLN  11          2HB       GLN  11  -6.423  -3.817  -4.191
   86   1HG   GLN  11          1HG       GLN  11  -5.699  -4.498  -6.330
   87   2HG   GLN  11          2HG       GLN  11  -4.324  -4.647  -5.241
   88   1HE2  GLN  11          1HE2      GLN  11  -5.764  -8.357  -5.587
   89   2HE2  GLN  11          2HE2      GLN  11  -6.526  -7.110  -4.664
   90    H    ALA  12           H        ALA  12  -5.952  -3.086  -2.080
   91    HA   ALA  12           HA       ALA  12  -3.344  -2.050  -2.295
   92   1HB   ALA  12          1HB       ALA  12  -5.546  -0.784  -2.053
   93   2HB   ALA  12          2HB       ALA  12  -5.363  -1.058  -0.322
   94   3HB   ALA  12          3HB       ALA  12  -4.139  -0.146  -1.203
   95    H    GLU  13           H        GLU  13  -5.107  -3.479   0.420
   96    HA   GLU  13           HA       GLU  13  -3.194  -3.093   2.417
   97   1HB   GLU  13          1HB       GLU  13  -5.397  -5.079   2.003
   98   2HB   GLU  13          2HB       GLU  13  -4.303  -5.261   3.366
   99   1HG   GLU  13          1HG       GLU  13  -5.894  -2.771   2.804
  100   2HG   GLU  13          2HG       GLU  13  -6.436  -4.070   3.864
  101    H    ALA  14           H        ALA  14  -3.593  -5.770   0.112
  102    HA   ALA  14           HA       ALA  14  -1.565  -7.413   1.153
  103   1HB   ALA  14          1HB       ALA  14  -3.365  -7.596  -0.935
  104   2HB   ALA  14          2HB       ALA  14  -1.795  -7.579  -1.737
  105   3HB   ALA  14          3HB       ALA  14  -2.141  -8.791  -0.506
  106    H    GLU  15           H        GLU  15  -1.475  -4.952  -1.417
  107    HA   GLU  15           HA       GLU  15   1.290  -5.255  -1.967
  108   1HB   GLU  15          1HB       GLU  15  -0.594  -2.937  -2.433
  109   2HB   GLU  15          2HB       GLU  15   1.076  -2.952  -2.977
  110   1HG   GLU  15          1HG       GLU  15   0.625  -4.878  -4.380
  111   2HG   GLU  15          2HG       GLU  15  -1.040  -4.913  -3.812
  112    H    ASN  16           H        ASN  16  -0.538  -2.931  -0.019
  113    HA   ASN  16           HA       ASN  16   1.472  -1.319   0.942
  114   1HB   ASN  16          1HB       ASN  16  -1.040  -1.151   1.310
  115   2HB   ASN  16          2HB       ASN  16  -0.848  -2.331   2.599
  116   1HD2  ASN  16          1HD2      ASN  16  -0.357   1.499   3.364
  117   2HD2  ASN  16          2HD2      ASN  16  -1.123   0.848   1.951
  118    H    TYR  17           H        TYR  17   0.311  -4.367   2.300
  119    HA   TYR  17           HA       TYR  17   1.939  -4.496   4.548
  120   1HB   TYR  17          1HB       TYR  17   0.047  -6.046   4.025
  121   2HB   TYR  17          2HB       TYR  17   1.064  -6.816   2.813
  122    HD1  TYR  17           HD1      TYR  17   1.296  -5.864   6.433
  123    HD2  TYR  17           HD2      TYR  17   2.092  -8.776   3.429
  124    HE1  TYR  17           HE1      TYR  17   2.232  -7.368   8.144
  125    HE2  TYR  17           HE2      TYR  17   3.023 -10.290   5.129
  126    HH   TYR  17           HH       TYR  17   2.873 -10.674   7.532
  127    H    GLN  18           H        GLN  18   2.549  -5.563   1.244
  128    HA   GLN  18           HA       GLN  18   5.109  -6.687   1.785
  129   1HB   GLN  18          1HB       GLN  18   3.787  -5.857  -0.796
  130   2HB   GLN  18          2HB       GLN  18   5.345  -6.668  -0.712
  131   1HG   GLN  18          1HG       GLN  18   4.343  -8.601   0.296
  132   2HG   GLN  18          2HG       GLN  18   2.780  -7.788   0.386
  133   1HE2  GLN  18          1HE2      GLN  18   1.824  -8.979  -2.693
  134   2HE2  GLN  18          2HE2      GLN  18   1.435  -8.485  -1.077
  135    H    LEU  19           H        LEU  19   4.028  -3.573   0.504
  136    HA   LEU  19           HA       LEU  19   6.520  -2.546  -0.242
  137   1HB   LEU  19          1HB       LEU  19   4.335  -0.879   0.986
  138   2HB   LEU  19          2HB       LEU  19   5.530  -0.385  -0.195
  139    HG   LEU  19           HG       LEU  19   3.152  -2.183  -0.652
  140   1HD1  LEU  19          1HD1      LEU  19   3.666   0.651  -0.943
  141   2HD1  LEU  19          2HD1      LEU  19   3.117  -0.092  -2.445
  142   3HD1  LEU  19          3HD1      LEU  19   2.143  -0.237  -0.982
  143   1HD2  LEU  19          1HD2      LEU  19   5.283  -2.800  -1.926
  144   2HD2  LEU  19          2HD2      LEU  19   3.809  -2.536  -2.857
  145   3HD2  LEU  19          3HD2      LEU  19   5.046  -1.280  -2.792
  146    H    GLU  20           H        GLU  20   4.816  -2.338   2.865
  147    HA   GLU  20           HA       GLU  20   6.785  -0.820   4.176
  148   1HB   GLU  20          1HB       GLU  20   4.708  -2.719   5.267
  149   2HB   GLU  20          2HB       GLU  20   5.701  -1.668   6.267
  150   1HG   GLU  20          1HG       GLU  20   3.899  -0.655   4.083
  151   2HG   GLU  20          2HG       GLU  20   3.398  -0.822   5.764
  152    H    GLN  21           H        GLN  21   6.454  -4.294   3.683
  153    HA   GLN  21           HA       GLN  21   8.469  -5.076   5.534
  154   1HB   GLN  21          1HB       GLN  21   7.617  -6.509   3.005
  155   2HB   GLN  21          2HB       GLN  21   8.527  -7.210   4.334
  156   1HG   GLN  21          1HG       GLN  21   5.669  -6.292   4.362
  157   2HG   GLN  21          2HG       GLN  21   6.265  -7.943   4.460
  158   1HE2  GLN  21          1HE2      GLN  21   5.590  -5.930   7.770
  159   2HE2  GLN  21          2HE2      GLN  21   4.973  -5.545   6.194
  160    H    GLU  22           H        GLU  22   8.455  -4.427   2.061
  161    HA   GLU  22           HA       GLU  22  11.203  -4.955   1.677
  162   1HB   GLU  22          1HB       GLU  22   9.203  -3.421   0.030
  163   2HB   GLU  22          2HB       GLU  22  10.868  -3.676  -0.480
  164   1HG   GLU  22          1HG       GLU  22  10.201  -6.200   0.096
  165   2HG   GLU  22          2HG       GLU  22   8.612  -5.572  -0.334
  166    H    VAL  23           H        VAL  23   9.416  -1.917   2.245
  167    HA   VAL  23           HA       VAL  23  11.648  -0.221   1.957
  168    HB   VAL  23           HB       VAL  23   9.082   0.120   3.513
  169   1HG1  VAL  23          1HG1      VAL  23  11.397   1.423   4.208
  170   2HG1  VAL  23          2HG1      VAL  23  10.654   2.547   3.070
  171   3HG1  VAL  23          3HG1      VAL  23   9.763   2.019   4.498
  172   1HG2  VAL  23          1HG2      VAL  23   9.690   0.373   0.829
  173   2HG2  VAL  23          2HG2      VAL  23   8.285   1.060   1.648
  174   3HG2  VAL  23          3HG2      VAL  23   9.741   2.032   1.427
  175    H    ALA  24           H        ALA  24  10.283  -1.809   4.830
  176    HA   ALA  24           HA       ALA  24  12.073  -0.794   6.720
  177   1HB   ALA  24          1HB       ALA  24   9.933  -2.415   6.859
  178   2HB   ALA  24          2HB       ALA  24  11.222  -3.596   7.082
  179   3HB   ALA  24          3HB       ALA  24  11.090  -2.219   8.173
  180    H    GLN  25           H        GLN  25  12.265  -3.709   4.714
  181    HA   GLN  25           HA       GLN  25  14.711  -4.649   5.772
  182   1HB   GLN  25          1HB       GLN  25  12.976  -5.932   4.394
  183   2HB   GLN  25          2HB       GLN  25  13.718  -5.191   2.982
  184   1HG   GLN  25          1HG       GLN  25  14.646  -7.365   3.253
  185   2HG   GLN  25          2HG       GLN  25  15.887  -6.184   3.669
  186   1HE2  GLN  25          1HE2      GLN  25  14.989  -9.037   6.244
  187   2HE2  GLN  25          2HE2      GLN  25  14.635  -9.044   4.548
  188    H    LEU  26           H        LEU  26  13.991  -2.853   2.767
  189    HA   LEU  26           HA       LEU  26  16.640  -2.634   1.895
  190   1HB   LEU  26          1HB       LEU  26  14.300  -0.793   1.422
  191   2HB   LEU  26          2HB       LEU  26  15.831  -0.663   0.584
  192    HG   LEU  26           HG       LEU  26  13.937  -3.013   0.434
  193   1HD1  LEU  26          1HD1      LEU  26  14.536  -0.727  -1.426
  194   2HD1  LEU  26          2HD1      LEU  26  13.833  -2.240  -1.997
  195   3HD1  LEU  26          3HD1      LEU  26  12.972  -1.259  -0.811
  196   1HD2  LEU  26          1HD2      LEU  26  16.735  -2.775  -0.172
  197   2HD2  LEU  26          2HD2      LEU  26  15.684  -4.189  -0.267
  198   3HD2  LEU  26          3HD2      LEU  26  15.811  -3.090  -1.640
  199    H    GLU  27           H        GLU  27  14.774  -0.576   4.093
  200    HA   GLU  27           HA       GLU  27  16.820   1.411   4.332
  201   1HB   GLU  27          1HB       GLU  27  14.397   0.734   6.007
  202   2HB   GLU  27          2HB       GLU  27  15.484   2.051   6.413
  203   1HG   GLU  27          1HG       GLU  27  14.117   1.880   3.748
  204   2HG   GLU  27          2HG       GLU  27  13.353   2.623   5.151
  205    H    HIS  28           H        HIS  28  15.880  -1.445   6.173
  206    HA   HIS  28           HA       HIS  28  17.618  -1.090   8.352
  207   1HB   HIS  28          1HB       HIS  28  15.768  -2.644   8.445
  208   2HB   HIS  28          2HB       HIS  28  16.442  -3.589   7.126
  209    HD1  HIS  28           HD1      HIS  28  17.891  -2.471  10.496
  210    HD2  HIS  28           HD2      HIS  28  17.336  -5.847   8.143
  211    HE1  HIS  28           HE1      HIS  28  18.959  -4.390  11.753
  212    H    GLU  29           H        GLU  29  18.099  -2.392   5.155
  213    HA   GLU  29           HA       GLU  29  20.769  -3.347   5.787
  214   1HB   GLU  29          1HB       GLU  29  19.198  -3.354   3.206
  215   2HB   GLU  29          2HB       GLU  29  20.786  -4.081   3.415
  216   1HG   GLU  29          1HG       GLU  29  18.355  -4.881   4.999
  217   2HG   GLU  29          2HG       GLU  29  18.867  -5.672   3.508
  218    H    CYS  30           H        CYS  30  19.211  -0.646   4.250
  219    HA   CYS  30           HA       CYS  30  21.843   0.417   3.442
  220   1HB   CYS  30          1HB       CYS  30  20.200   0.039   1.601
  221   2HB   CYS  30          2HB       CYS  30  19.126   1.191   2.370
  222    H    GLY  31           H        GLY  31  18.684   1.890   4.002
  223   1HA   GLY  31          1HA       GLY  31  19.278   4.369   4.769
  224   2HA   GLY  31          2HA       GLY  31  17.956   3.466   5.482
  225   1HN   NH2  32          1HN       NH2  32  20.876   5.068   6.111
  226   2HN   NH2  32          2HN       NH2  32  21.091   4.530   7.747
  227   1H    ACE   0          1H        ACE   0 -19.588  -3.212   4.378
  228   2H    ACE   0          2H        ACE   0 -19.737  -2.395   5.936
  229   3H    ACE   0          3H        ACE   0 -18.275  -2.191   4.967
  230    H    GLU   1           H        GLU   1 -18.746   0.117   5.229
  231    HA   GLU   1           HA       GLU   1 -21.005   1.115   3.686
  232   1HB   GLU   1          1HB       GLU   1 -20.502   2.157   5.854
  233   2HB   GLU   1          2HB       GLU   1 -18.903   2.598   5.272
  234   1HG   GLU   1          1HG       GLU   1 -20.465   4.482   5.247
  235   2HG   GLU   1          2HG       GLU   1 -19.866   4.086   3.637
  236    H    VAL   2           H        VAL   2 -20.848   1.771   1.662
  237    HA   VAL   2           HA       VAL   2 -18.587   1.322   0.089
  238    HB   VAL   2           HB       VAL   2 -21.052   2.988  -0.427
  239   1HG1  VAL   2          1HG1      VAL   2 -19.124   3.886  -1.724
  240   2HG1  VAL   2          2HG1      VAL   2 -18.921   2.286  -2.442
  241   3HG1  VAL   2          3HG1      VAL   2 -20.400   3.201  -2.733
  242   1HG2  VAL   2          1HG2      VAL   2 -20.094   0.280  -1.338
  243   2HG2  VAL   2          2HG2      VAL   2 -21.510   0.648  -0.352
  244   3HG2  VAL   2          3HG2      VAL   2 -21.474   1.112  -2.054
  245    H    GLN   3           H        GLN   3 -19.906   4.442   1.225
  246    HA   GLN   3           HA       GLN   3 -17.874   6.075   0.218
  247   1HB   GLN   3          1HB       GLN   3 -19.999   6.933   1.121
  248   2HB   GLN   3          2HB       GLN   3 -19.503   6.453   2.740
  249   1HG   GLN   3          1HG       GLN   3 -17.615   8.019   2.602
  250   2HG   GLN   3          2HG       GLN   3 -18.169   8.523   1.007
  251   1HE2  GLN   3          1HE2      GLN   3 -21.242   9.462   3.281
  252   2HE2  GLN   3          2HE2      GLN   3 -20.902   7.887   2.663
  253    H    ALA   4           H        ALA   4 -18.103   4.263   3.210
  254    HA   ALA   4           HA       ALA   4 -15.807   5.281   4.488
  255   1HB   ALA   4          1HB       ALA   4 -17.827   3.397   5.028
  256   2HB   ALA   4          2HB       ALA   4 -16.288   2.556   5.215
  257   3HB   ALA   4          3HB       ALA   4 -16.608   4.026   6.136
  258    H    LEU   5           H        LEU   5 -16.323   2.349   2.544
  259    HA   LEU   5           HA       LEU   5 -13.666   1.431   2.695
  260   1HB   LEU   5          1HB       LEU   5 -15.787   0.902   0.615
  261   2HB   LEU   5          2HB       LEU   5 -14.270   0.030   0.735
  262    HG   LEU   5           HG       LEU   5 -16.429   0.071   2.847
  263   1HD1  LEU   5          1HD1      LEU   5 -16.003  -1.544   0.480
  264   2HD1  LEU   5          2HD1      LEU   5 -16.047  -2.515   1.950
  265   3HD1  LEU   5          3HD1      LEU   5 -17.400  -1.456   1.552
  266   1HD2  LEU   5          1HD2      LEU   5 -13.988  -0.170   3.568
  267   2HD2  LEU   5          2HD2      LEU   5 -15.123  -1.410   4.096
  268   3HD2  LEU   5          3HD2      LEU   5 -14.031  -1.731   2.749
  269    H    LYS   6           H        LYS   6 -15.270   3.675   0.501
  270    HA   LYS   6           HA       LYS   6 -13.272   3.789  -1.475
  271   1HB   LYS   6          1HB       LYS   6 -15.177   5.925  -0.498
  272   2HB   LYS   6          2HB       LYS   6 -14.160   6.094  -1.922
  273   1HG   LYS   6          1HG       LYS   6 -15.307   4.303  -3.027
  274   2HG   LYS   6          2HG       LYS   6 -16.227   3.940  -1.565
  275   1HD   LYS   6          1HD       LYS   6 -17.581   5.201  -3.130
  276   2HD   LYS   6          2HD       LYS   6 -17.267   6.156  -1.682
  277   1HE   LYS   6          1HE       LYS   6 -15.390   7.256  -2.904
  278   2HE   LYS   6          2HE       LYS   6 -15.901   6.400  -4.358
  279   1HZ   LYS   6          1HZ       LYS   6 -17.937   7.945  -2.949
  280   2HZ   LYS   6          2HZ       LYS   6 -16.735   8.820  -3.767
  281   3HZ   LYS   6          3HZ       LYS   6 -17.703   7.713  -4.614
  282    H    LYS   7           H        LYS   7 -13.708   5.605   1.542
  283    HA   LYS   7           HA       LYS   7 -11.376   7.200   1.199
  284   1HB   LYS   7          1HB       LYS   7 -13.250   6.664   3.456
  285   2HB   LYS   7          2HB       LYS   7 -11.672   7.343   3.842
  286   1HG   LYS   7          1HG       LYS   7 -13.314   9.108   3.575
  287   2HG   LYS   7          2HG       LYS   7 -12.097   9.202   2.305
  288   1HD   LYS   7          1HD       LYS   7 -13.884   7.670   1.048
  289   2HD   LYS   7          2HD       LYS   7 -14.976   8.530   2.132
  290   1HE   LYS   7          1HE       LYS   7 -12.995   9.848   0.283
  291   2HE   LYS   7          2HE       LYS   7 -14.704   9.628  -0.076
  292   1HZ   LYS   7          1HZ       LYS   7 -13.797  11.082   2.339
  293   2HZ   LYS   7          2HZ       LYS   7 -13.993  11.858   0.842
  294   3HZ   LYS   7          3HZ       LYS   7 -15.322  11.117   1.592
  295    H    ARG   8           H        ARG   8 -12.000   4.022   2.471
  296    HA   ARG   8           HA       ARG   8  -9.522   3.645   3.814
  297   1HB   ARG   8          1HB       ARG   8 -11.477   2.148   4.145
  298   2HB   ARG   8          2HB       ARG   8 -11.298   1.574   2.491
  299   1HG   ARG   8          1HG       ARG   8 -10.324  -0.048   3.935
  300   2HG   ARG   8          2HG       ARG   8  -9.007   0.775   3.095
  301   1HD   ARG   8          1HD       ARG   8  -8.859   2.291   5.122
  302   2HD   ARG   8          2HD       ARG   8  -9.937   1.151   5.925
  303    HE   ARG   8           HE       ARG   8  -7.768  -0.273   4.871
  304   1HH1  ARG   8          1HH1      ARG   8  -8.462   2.074   7.367
  305   2HH1  ARG   8          2HH1      ARG   8  -7.150   1.572   8.386
  306   1HH2  ARG   8          1HH2      ARG   8  -6.037  -0.960   6.230
  307   2HH2  ARG   8          2HH2      ARG   8  -5.791  -0.139   7.749
  308    H    VAL   9           H        VAL   9 -10.713   2.979   0.563
  309    HA   VAL   9           HA       VAL   9  -8.403   1.808  -0.512
  310    HB   VAL   9           HB       VAL   9 -10.579   3.417  -1.869
  311   1HG1  VAL   9          1HG1      VAL   9  -8.382   1.749  -3.089
  312   2HG1  VAL   9          2HG1      VAL   9  -9.800   2.322  -3.962
  313   3HG1  VAL   9          3HG1      VAL   9  -8.643   3.480  -3.296
  314   1HG2  VAL   9          1HG2      VAL   9 -10.124   0.460  -1.525
  315   2HG2  VAL   9          2HG2      VAL   9 -11.450   1.428  -0.874
  316   3HG2  VAL   9          3HG2      VAL   9 -11.325   1.155  -2.613
  317    H    GLN  10           H        GLN  10  -9.511   5.184  -0.488
  318    HA   GLN  10           HA       GLN  10  -7.323   6.244  -1.898
  319   1HB   GLN  10          1HB       GLN  10  -9.117   7.602   0.120
  320   2HB   GLN  10          2HB       GLN  10  -8.038   8.425  -0.999
  321   1HG   GLN  10          1HG       GLN  10 -10.429   6.743  -1.700
  322   2HG   GLN  10          2HG       GLN  10 -10.290   8.493  -1.832
  323   1HE2  GLN  10          1HE2      GLN  10  -9.445   6.316  -4.957
  324   2HE2  GLN  10          2HE2      GLN  10 -10.473   5.895  -3.631
  325    H    ALA  11           H        ALA  11  -7.850   5.755   1.578
  326    HA   ALA  11           HA       ALA  11  -5.524   7.103   2.454
  327   1HB   ALA  11          1HB       ALA  11  -7.659   5.813   3.674
  328   2HB   ALA  11          2HB       ALA  11  -6.256   4.843   4.126
  329   3HB   ALA  11          3HB       ALA  11  -6.287   6.569   4.485
  330    H    LEU  12           H        LEU  12  -6.196   3.746   1.630
  331    HA   LEU  12           HA       LEU  12  -3.641   2.721   2.220
  332   1HB   LEU  12          1HB       LEU  12  -5.872   1.785   0.445
  333   2HB   LEU  12          2HB       LEU  12  -4.345   0.931   0.506
  334    HG   LEU  12           HG       LEU  12  -5.982   1.474   2.971
  335   1HD1  LEU  12          1HD1      LEU  12  -6.027  -0.950   1.169
  336   2HD1  LEU  12          2HD1      LEU  12  -6.780  -0.843   2.760
  337   3HD1  LEU  12          3HD1      LEU  12  -7.355   0.178   1.442
  338   1HD2  LEU  12          1HD2      LEU  12  -3.564  -0.123   2.253
  339   2HD2  LEU  12          2HD2      LEU  12  -3.859   0.898   3.660
  340   3HD2  LEU  12          3HD2      LEU  12  -4.614  -0.690   3.550
  341    H    LYS  13           H        LYS  13  -5.102   3.745  -0.863
  342    HA   LYS  13           HA       LYS  13  -2.863   3.314  -2.468
  343   1HB   LYS  13          1HB       LYS  13  -5.334   4.893  -2.689
  344   2HB   LYS  13          2HB       LYS  13  -3.999   5.455  -3.687
  345   1HG   LYS  13          1HG       LYS  13  -5.409   3.911  -4.917
  346   2HG   LYS  13          2HG       LYS  13  -3.793   3.240  -4.690
  347   1HD   LYS  13          1HD       LYS  13  -4.758   2.042  -2.658
  348   2HD   LYS  13          2HD       LYS  13  -6.342   2.497  -3.282
  349   1HE   LYS  13          1HE       LYS  13  -4.262   0.802  -4.656
  350   2HE   LYS  13          2HE       LYS  13  -5.808   0.260  -4.010
  351   1HZ   LYS  13          1HZ       LYS  13  -6.053   2.384  -5.946
  352   2HZ   LYS  13          2HZ       LYS  13  -5.343   0.974  -6.572
  353   3HZ   LYS  13          3HZ       LYS  13  -6.872   0.899  -5.846
  354    H    ALA  14           H        ALA  14  -3.717   6.072  -0.463
  355    HA   ALA  14           HA       ALA  14  -1.700   7.823  -1.371
  356   1HB   ALA  14          1HB       ALA  14  -3.395   7.639   1.061
  357   2HB   ALA  14          2HB       ALA  14  -1.974   8.681   1.122
  358   3HB   ALA  14          3HB       ALA  14  -3.218   8.957  -0.097
  359    H    ARG  15           H        ARG  15  -1.747   5.405   1.219
  360    HA   ARG  15           HA       ARG  15   0.959   5.913   2.031
  361   1HB   ARG  15          1HB       ARG  15  -0.714   4.967   3.581
  362   2HB   ARG  15          2HB       ARG  15  -0.836   3.534   2.574
  363   1HG   ARG  15          1HG       ARG  15   0.538   2.919   4.367
  364   2HG   ARG  15          2HG       ARG  15   1.634   3.184   3.011
  365   1HD   ARG  15          1HD       ARG  15   2.167   5.405   3.869
  366   2HD   ARG  15          2HD       ARG  15   1.053   5.162   5.215
  367    HE   ARG  15           HE       ARG  15   2.961   3.072   5.151
  368   1HH1  ARG  15          1HH1      ARG  15   2.623   6.453   5.984
  369   2HH1  ARG  15          2HH1      ARG  15   3.947   6.441   7.108
  370   1HH2  ARG  15          1HH2      ARG  15   4.698   3.033   6.605
  371   2HH2  ARG  15          2HH2      ARG  15   5.139   4.486   7.472
  372    H    ASN  16           H        ASN  16  -0.673   3.648  -0.095
  373    HA   ASN  16           HA       ASN  16   1.487   1.920  -0.620
  374   1HB   ASN  16          1HB       ASN  16  -1.094   2.583  -1.993
  375   2HB   ASN  16          2HB       ASN  16   0.094   1.605  -2.832
  376   1HD2  ASN  16          1HD2      ASN  16  -1.101  -1.265  -1.343
  377   2HD2  ASN  16          2HD2      ASN  16  -0.472  -0.453  -2.735
  378    H    TYR  17           H        TYR  17   0.283   4.803  -2.260
  379    HA   TYR  17           HA       TYR  17   2.042   4.811  -4.432
  380   1HB   TYR  17          1HB       TYR  17  -0.056   6.291  -3.787
  381   2HB   TYR  17          2HB       TYR  17   1.179   7.377  -3.167
  382    HD1  TYR  17           HD1      TYR  17   2.683   5.722  -5.820
  383    HD2  TYR  17           HD2      TYR  17  -0.274   8.685  -5.045
  384    HE1  TYR  17           HE1      TYR  17   2.987   6.615  -8.092
  385    HE2  TYR  17           HE2      TYR  17   0.019   9.579  -7.314
  386    HH   TYR  17           HH       TYR  17   1.534   9.615  -9.099
  387    H    ALA  18           H        ALA  18   2.336   6.261  -1.205
  388    HA   ALA  18           HA       ALA  18   4.869   7.461  -1.685
  389   1HB   ALA  18          1HB       ALA  18   3.060   7.845   0.204
  390   2HB   ALA  18          2HB       ALA  18   4.068   6.685   1.071
  391   3HB   ALA  18          3HB       ALA  18   4.768   8.192   0.478
  392    H    ALA  19           H        ALA  19   3.868   4.426  -0.148
  393    HA   ALA  19           HA       ALA  19   6.431   3.592   0.640
  394   1HB   ALA  19          1HB       ALA  19   3.788   2.307   0.339
  395   2HB   ALA  19          2HB       ALA  19   5.196   1.247   0.396
  396   3HB   ALA  19          3HB       ALA  19   4.879   2.361   1.725
  397    H    LYS  20           H        LYS  20   4.576   2.943  -2.327
  398    HA   LYS  20           HA       LYS  20   6.328   1.122  -3.518
  399   1HB   LYS  20          1HB       LYS  20   4.395   3.117  -4.678
  400   2HB   LYS  20          2HB       LYS  20   5.406   2.124  -5.719
  401   1HG   LYS  20          1HG       LYS  20   4.446   0.110  -4.753
  402   2HG   LYS  20          2HG       LYS  20   3.446   1.093  -3.679
  403   1HD   LYS  20          1HD       LYS  20   2.288   2.040  -5.579
  404   2HD   LYS  20          2HD       LYS  20   3.354   1.183  -6.694
  405   1HE   LYS  20          1HE       LYS  20   2.528  -0.959  -5.805
  406   2HE   LYS  20          2HE       LYS  20   1.429  -0.078  -4.745
  407   1HZ   LYS  20          1HZ       LYS  20   1.187   0.701  -7.494
  408   2HZ   LYS  20          2HZ       LYS  20   0.858  -0.947  -7.251
  409   3HZ   LYS  20          3HZ       LYS  20  -0.015   0.225  -6.394
  410    H    GLN  21           H        GLN  21   6.269   4.668  -3.698
  411    HA   GLN  21           HA       GLN  21   8.472   4.937  -5.437
  412   1HB   GLN  21          1HB       GLN  21   7.401   6.820  -3.332
  413   2HB   GLN  21          2HB       GLN  21   8.645   7.253  -4.496
  414   1HG   GLN  21          1HG       GLN  21   7.126   7.000  -6.315
  415   2HG   GLN  21          2HG       GLN  21   5.892   6.318  -5.255
  416   1HE2  GLN  21          1HE2      GLN  21   4.525   9.354  -4.449
  417   2HE2  GLN  21          2HE2      GLN  21   4.416   7.629  -4.558
  418    H    LYS  22           H        LYS  22   8.198   4.686  -1.947
  419    HA   LYS  22           HA       LYS  22  10.891   5.224  -1.322
  420   1HB   LYS  22          1HB       LYS  22   8.597   3.941   0.061
  421   2HB   LYS  22          2HB       LYS  22  10.201   3.563   0.678
  422   1HG   LYS  22          1HG       LYS  22   9.101   6.343   0.322
  423   2HG   LYS  22          2HG       LYS  22   9.138   5.445   1.844
  424   1HD   LYS  22          1HD       LYS  22  11.600   6.008   0.211
  425   2HD   LYS  22          2HD       LYS  22  11.024   7.090   1.480
  426   1HE   LYS  22          1HE       LYS  22  11.640   4.177   1.917
  427   2HE   LYS  22          2HE       LYS  22  12.818   5.464   2.163
  428   1HZ   LYS  22          1HZ       LYS  22  11.077   6.458   3.709
  429   2HZ   LYS  22          2HZ       LYS  22  10.331   4.939   3.671
  430   3HZ   LYS  22          3HZ       LYS  22  11.915   5.088   4.255
  431    H    VAL  23           H        VAL  23   9.188   2.154  -1.903
  432    HA   VAL  23           HA       VAL  23  11.378   0.468  -1.485
  433    HB   VAL  23           HB       VAL  23   9.155  -0.005  -3.478
  434   1HG1  VAL  23          1HG1      VAL  23  11.459  -1.514  -2.717
  435   2HG1  VAL  23          2HG1      VAL  23  10.006  -2.372  -2.206
  436   3HG1  VAL  23          3HG1      VAL  23  10.211  -1.909  -3.896
  437   1HG2  VAL  23          1HG2      VAL  23   8.671   0.526  -0.916
  438   2HG2  VAL  23          2HG2      VAL  23   7.762  -0.688  -1.814
  439   3HG2  VAL  23          3HG2      VAL  23   9.087  -1.182  -0.757
  440    H    GLN  24           H        GLN  24  10.210   1.949  -4.518
  441    HA   GLN  24           HA       GLN  24  12.297   0.805  -6.082
  442   1HB   GLN  24          1HB       GLN  24  10.609   3.229  -6.724
  443   2HB   GLN  24          2HB       GLN  24  11.535   2.263  -7.867
  444   1HG   GLN  24          1HG       GLN  24  10.003   0.354  -6.730
  445   2HG   GLN  24          2HG       GLN  24   8.922   1.745  -6.640
  446   1HE2  GLN  24          1HE2      GLN  24   9.118  -0.281  -9.981
  447   2HE2  GLN  24          2HE2      GLN  24   9.554  -0.845  -8.399
  448    H    ALA  25           H        ALA  25  12.013   3.736  -4.210
  449    HA   ALA  25           HA       ALA  25  14.293   5.051  -5.337
  450   1HB   ALA  25          1HB       ALA  25  12.666   5.431  -2.854
  451   2HB   ALA  25          2HB       ALA  25  14.207   6.271  -3.035
  452   3HB   ALA  25          3HB       ALA  25  12.916   6.533  -4.209
  453    H    LEU  26           H        LEU  26  13.683   2.918  -2.625
  454    HA   LEU  26           HA       LEU  26  16.339   2.942  -1.617
  455   1HB   LEU  26          1HB       LEU  26  14.067   0.998  -1.255
  456   2HB   LEU  26          2HB       LEU  26  15.587   0.896  -0.390
  457    HG   LEU  26           HG       LEU  26  13.681   3.229  -0.233
  458   1HD1  LEU  26          1HD1      LEU  26  14.074   0.839   1.539
  459   2HD1  LEU  26          2HD1      LEU  26  13.361   2.342   2.122
  460   3HD1  LEU  26          3HD1      LEU  26  12.581   1.441   0.821
  461   1HD2  LEU  26          1HD2      LEU  26  16.347   3.238   0.258
  462   2HD2  LEU  26          2HD2      LEU  26  15.177   4.279   1.076
  463   3HD2  LEU  26          3HD2      LEU  26  15.706   2.786   1.841
  464    H    ARG  27           H        ARG  27  14.636   1.027  -4.043
  465    HA   ARG  27           HA       ARG  27  16.629  -0.991  -4.268
  466   1HB   ARG  27          1HB       ARG  27  14.116  -0.510  -5.424
  467   2HB   ARG  27          2HB       ARG  27  15.247  -0.474  -6.768
  468   1HG   ARG  27          1HG       ARG  27  14.709  -2.692  -6.718
  469   2HG   ARG  27          2HG       ARG  27  16.142  -2.680  -5.686
  470   1HD   ARG  27          1HD       ARG  27  14.441  -2.295  -3.766
  471   2HD   ARG  27          2HD       ARG  27  13.261  -2.918  -4.918
  472    HE   ARG  27           HE       ARG  27  15.592  -4.593  -4.632
  473   1HH1  ARG  27          1HH1      ARG  27  12.371  -3.887  -3.492
  474   2HH1  ARG  27          2HH1      ARG  27  12.186  -5.391  -2.646
  475   1HH2  ARG  27          1HH2      ARG  27  15.391  -6.573  -3.477
  476   2HH2  ARG  27          2HH2      ARG  27  13.923  -6.909  -2.601
  477    H    HIS  28           H        HIS  28  16.230   2.215  -5.468
  478    HA   HIS  28           HA       HIS  28  18.291   2.058  -7.488
  479   1HB   HIS  28          1HB       HIS  28  16.402   3.621  -7.716
  480   2HB   HIS  28          2HB       HIS  28  16.870   4.405  -6.212
  481    HD1  HIS  28           HD1      HIS  28  18.270   3.880  -9.730
  482    HD2  HIS  28           HD2      HIS  28  18.520   6.503  -6.509
  483    HE1  HIS  28           HE1      HIS  28  19.747   5.794 -10.478
  484    H    LYS  29           H        LYS  29  17.859   3.311  -4.255
  485    HA   LYS  29           HA       LYS  29  20.412   4.470  -3.923
  486   1HB   LYS  29          1HB       LYS  29  18.460   5.138  -2.628
  487   2HB   LYS  29          2HB       LYS  29  18.369   3.542  -1.901
  488   1HG   LYS  29          1HG       LYS  29  20.503   3.927  -0.779
  489   2HG   LYS  29          2HG       LYS  29  20.602   5.526  -1.521
  490   1HD   LYS  29          1HD       LYS  29  18.574   6.214  -0.381
  491   2HD   LYS  29          2HD       LYS  29  18.383   4.598   0.299
  492   1HE   LYS  29          1HE       LYS  29  20.461   4.858   1.535
  493   2HE   LYS  29          2HE       LYS  29  20.696   6.457   0.832
  494   1HZ   LYS  29          1HZ       LYS  29  18.228   5.868   2.325
  495   2HZ   LYS  29          2HZ       LYS  29  19.654   6.223   3.168
  496   3HZ   LYS  29          3HZ       LYS  29  19.006   7.353   2.084
  497    H    CYS  30           H        CYS  30  19.085   1.319  -2.961
  498    HA   CYS  30           HA       CYS  30  21.807   0.275  -2.773
  499   1HB   CYS  30          1HB       CYS  30  19.890   0.401  -0.465
  500   2HB   CYS  30          2HB       CYS  30  21.155  -0.816  -0.541
  501    H    GLY  31           H        GLY  31  19.980  -0.411  -4.741
  502   1HA   GLY  31          1HA       GLY  31  18.882  -2.998  -3.881
  503   2HA   GLY  31          2HA       GLY  31  18.473  -2.152  -5.371
  504   1HN   NH2  32          1HN       NH2  32  21.654  -2.806  -4.022
  505   2HN   NH2  32          2HN       NH2  32  22.246  -3.721  -5.372
  Start of MODEL    2
    1   1H    ACE   0          1H        ACE   0 -19.028   2.168  -5.717
    2   2H    ACE   0          2H        ACE   0 -20.019   1.390  -6.954
    3   3H    ACE   0          3H        ACE   0 -18.448   0.705  -6.523
    4    H    GLU   1           H        GLU   1 -19.347  -1.303  -5.959
    5    HA   GLU   1           HA       GLU   1 -21.312  -1.369  -3.808
    6   1HB   GLU   1          1HB       GLU   1 -21.550  -2.879  -5.762
    7   2HB   GLU   1          2HB       GLU   1 -20.029  -3.648  -5.331
    8   1HG   GLU   1          1HG       GLU   1 -21.960  -4.956  -4.626
    9   2HG   GLU   1          2HG       GLU   1 -20.969  -4.444  -3.262
   10    H    VAL   2           H        VAL   2 -20.967  -2.563  -1.875
   11    HA   VAL   2           HA       VAL   2 -18.651  -1.964  -0.484
   12    HB   VAL   2           HB       VAL   2 -20.437  -4.316   0.148
   13   1HG1  VAL   2          1HG1      VAL   2 -18.194  -3.241   1.443
   14   2HG1  VAL   2          2HG1      VAL   2 -19.593  -2.752   2.397
   15   3HG1  VAL   2          3HG1      VAL   2 -19.311  -4.461   2.051
   16   1HG2  VAL   2          1HG2      VAL   2 -20.949  -1.394   0.377
   17   2HG2  VAL   2          2HG2      VAL   2 -22.054  -2.703  -0.039
   18   3HG2  VAL   2          3HG2      VAL   2 -21.560  -2.463   1.639
   19    H    ALA   3           H        ALA   3 -19.622  -5.115  -1.819
   20    HA   ALA   3           HA       ALA   3 -17.383  -6.588  -1.128
   21   1HB   ALA   3          1HB       ALA   3 -19.523  -7.446  -2.097
   22   2HB   ALA   3          2HB       ALA   3 -18.931  -6.942  -3.679
   23   3HB   ALA   3          3HB       ALA   3 -18.061  -8.171  -2.761
   24    H    GLN   4           H        GLN   4 -17.883  -4.489  -3.909
   25    HA   GLN   4           HA       GLN   4 -15.558  -5.179  -5.349
   26   1HB   GLN   4          1HB       GLN   4 -16.995  -2.527  -5.271
   27   2HB   GLN   4          2HB       GLN   4 -15.906  -3.075  -6.539
   28   1HG   GLN   4          1HG       GLN   4 -18.501  -4.430  -5.837
   29   2HG   GLN   4          2HG       GLN   4 -18.320  -3.235  -7.119
   30   1HE2  GLN   4          1HE2      GLN   4 -15.874  -5.809  -8.578
   31   2HE2  GLN   4          2HE2      GLN   4 -15.560  -4.387  -7.641
   32    H    LEU   5           H        LEU   5 -16.239  -2.584  -3.045
   33    HA   LEU   5           HA       LEU   5 -13.672  -1.436  -3.066
   34   1HB   LEU   5          1HB       LEU   5 -15.918  -1.385  -1.070
   35   2HB   LEU   5          2HB       LEU   5 -14.448  -0.441  -0.875
   36    HG   LEU   5           HG       LEU   5 -16.335  -0.202  -3.225
   37   1HD1  LEU   5          1HD1      LEU   5 -16.268   1.087  -0.562
   38   2HD1  LEU   5          2HD1      LEU   5 -16.614   2.115  -1.954
   39   3HD1  LEU   5          3HD1      LEU   5 -17.634   0.716  -1.613
   40   1HD2  LEU   5          1HD2      LEU   5 -13.754   1.047  -2.476
   41   2HD2  LEU   5          2HD2      LEU   5 -14.415   0.677  -4.067
   42   3HD2  LEU   5          3HD2      LEU   5 -14.982   2.094  -3.185
   43    H    GLU   6           H        GLU   6 -15.146  -3.997  -1.171
   44    HA   GLU   6           HA       GLU   6 -13.165  -4.291   0.797
   45   1HB   GLU   6          1HB       GLU   6 -15.153  -6.180  -0.450
   46   2HB   GLU   6          2HB       GLU   6 -14.011  -6.738   0.765
   47   1HG   GLU   6          1HG       GLU   6 -15.578  -4.320   1.417
   48   2HG   GLU   6          2HG       GLU   6 -16.449  -5.852   1.359
   49    H    LYS   7           H        LYS   7 -13.486  -5.661  -2.450
   50    HA   LYS   7           HA       LYS   7 -11.174  -7.316  -2.323
   51   1HB   LYS   7          1HB       LYS   7 -12.599  -6.101  -4.701
   52   2HB   LYS   7          2HB       LYS   7 -11.361  -7.342  -4.804
   53   1HG   LYS   7          1HG       LYS   7 -12.748  -8.942  -3.744
   54   2HG   LYS   7          2HG       LYS   7 -13.924  -7.710  -3.285
   55   1HD   LYS   7          1HD       LYS   7 -14.499  -7.345  -5.606
   56   2HD   LYS   7          2HD       LYS   7 -13.250  -8.479  -6.119
   57   1HE   LYS   7          1HE       LYS   7 -15.611  -9.198  -4.395
   58   2HE   LYS   7          2HE       LYS   7 -15.538  -9.434  -6.141
   59   1HZ   LYS   7          1HZ       LYS   7 -13.330 -10.681  -5.471
   60   2HZ   LYS   7          2HZ       LYS   7 -14.170 -10.897  -4.010
   61   3HZ   LYS   7          3HZ       LYS   7 -14.837 -11.459  -5.461
   62    H    GLU   8           H        GLU   8 -11.772  -3.992  -3.164
   63    HA   GLU   8           HA       GLU   8  -9.201  -3.457  -4.281
   64   1HB   GLU   8          1HB       GLU   8 -11.293  -2.186  -4.774
   65   2HB   GLU   8          2HB       GLU   8 -11.258  -1.556  -3.135
   66   1HG   GLU   8          1HG       GLU   8 -10.409   0.098  -4.577
   67   2HG   GLU   8          2HG       GLU   8  -9.053  -0.537  -3.646
   68    H    VAL   9           H        VAL   9 -10.714  -2.957  -1.109
   69    HA   VAL   9           HA       VAL   9  -8.549  -1.591   0.079
   70    HB   VAL   9           HB       VAL   9 -10.771  -3.239   1.312
   71   1HG1  VAL   9          1HG1      VAL   9  -8.370  -2.566   2.552
   72   2HG1  VAL   9          2HG1      VAL   9  -9.509  -1.338   3.097
   73   3HG1  VAL   9          3HG1      VAL   9  -9.869  -3.047   3.346
   74   1HG2  VAL   9          1HG2      VAL   9 -10.324  -0.302   0.861
   75   2HG2  VAL   9          2HG2      VAL   9 -11.691  -1.302   0.366
   76   3HG2  VAL   9          3HG2      VAL   9 -11.466  -0.896   2.068
   77    H    ALA  10           H        ALA  10  -9.455  -5.003  -0.078
   78    HA   ALA  10           HA       ALA  10  -7.298  -5.981   1.474
   79   1HB   ALA  10          1HB       ALA  10  -9.039  -7.313  -0.597
   80   2HB   ALA  10          2HB       ALA  10  -7.824  -8.167   0.353
   81   3HB   ALA  10          3HB       ALA  10  -9.189  -7.397   1.158
   82    H    GLN  11           H        GLN  11  -7.638  -5.060  -1.856
   83    HA   GLN  11           HA       GLN  11  -5.352  -6.329  -2.929
   84   1HB   GLN  11          1HB       GLN  11  -7.234  -5.336  -4.269
   85   2HB   GLN  11          2HB       GLN  11  -6.675  -3.745  -3.795
   86   1HG   GLN  11          1HG       GLN  11  -5.936  -4.300  -6.039
   87   2HG   GLN  11          2HG       GLN  11  -4.572  -4.091  -4.945
   88   1HE2  GLN  11          1HE2      GLN  11  -3.215  -7.112  -5.872
   89   2HE2  GLN  11          2HE2      GLN  11  -3.013  -5.454  -5.408
   90    H    ALA  12           H        ALA  12  -5.994  -3.035  -1.851
   91    HA   ALA  12           HA       ALA  12  -3.359  -2.104  -2.100
   92   1HB   ALA  12          1HB       ALA  12  -5.833  -1.011  -1.483
   93   2HB   ALA  12          2HB       ALA  12  -4.823  -0.698  -0.070
   94   3HB   ALA  12          3HB       ALA  12  -4.301  -0.154  -1.665
   95    H    GLU  13           H        GLU  13  -5.145  -3.376   0.692
   96    HA   GLU  13           HA       GLU  13  -3.227  -2.905   2.658
   97   1HB   GLU  13          1HB       GLU  13  -5.442  -4.880   2.332
   98   2HB   GLU  13          2HB       GLU  13  -4.307  -5.096   3.654
   99   1HG   GLU  13          1HG       GLU  13  -5.822  -2.545   3.190
  100   2HG   GLU  13          2HG       GLU  13  -6.426  -3.860   4.196
  101    H    ALA  14           H        ALA  14  -3.659  -5.769   0.582
  102    HA   ALA  14           HA       ALA  14  -1.566  -7.288   1.678
  103   1HB   ALA  14          1HB       ALA  14  -2.995  -7.323  -0.952
  104   2HB   ALA  14          2HB       ALA  14  -1.588  -8.357  -0.696
  105   3HB   ALA  14          3HB       ALA  14  -3.004  -8.520   0.344
  106    H    GLU  15           H        GLU  15  -1.609  -5.030  -1.056
  107    HA   GLU  15           HA       GLU  15   1.105  -5.362  -1.774
  108   1HB   GLU  15          1HB       GLU  15  -0.793  -3.052  -2.199
  109   2HB   GLU  15          2HB       GLU  15   0.818  -3.134  -2.895
  110   1HG   GLU  15          1HG       GLU  15   0.246  -4.977  -4.245
  111   2HG   GLU  15          2HG       GLU  15  -1.264  -5.227  -3.380
  112    H    ASN  16           H        ASN  16  -0.574  -2.925   0.184
  113    HA   ASN  16           HA       ASN  16   1.549  -1.296   0.880
  114   1HB   ASN  16          1HB       ASN  16  -0.959  -1.053   1.396
  115   2HB   ASN  16          2HB       ASN  16  -0.663  -2.078   2.790
  116   1HD2  ASN  16          1HD2      ASN  16  -0.180   1.796   3.155
  117   2HD2  ASN  16          2HD2      ASN  16  -1.116   0.984   1.937
  118    H    TYR  17           H        TYR  17   0.394  -4.245   2.448
  119    HA   TYR  17           HA       TYR  17   2.151  -4.302   4.621
  120   1HB   TYR  17          1HB       TYR  17   0.172  -5.765   4.392
  121   2HB   TYR  17          2HB       TYR  17   0.972  -6.630   3.088
  122    HD1  TYR  17           HD1      TYR  17   1.985  -5.565   6.536
  123    HD2  TYR  17           HD2      TYR  17   1.643  -8.721   3.712
  124    HE1  TYR  17           HE1      TYR  17   2.970  -7.124   8.164
  125    HE2  TYR  17           HE2      TYR  17   2.625 -10.282   5.328
  126    HH   TYR  17           HH       TYR  17   3.067  -9.474   8.633
  127    H    GLN  18           H        GLN  18   2.516  -5.508   1.317
  128    HA   GLN  18           HA       GLN  18   5.059  -6.721   1.796
  129   1HB   GLN  18          1HB       GLN  18   3.642  -5.970  -0.756
  130   2HB   GLN  18          2HB       GLN  18   5.190  -6.805  -0.712
  131   1HG   GLN  18          1HG       GLN  18   4.119  -8.622   0.578
  132   2HG   GLN  18          2HG       GLN  18   2.568  -7.804   0.369
  133   1HE2  GLN  18          1HE2      GLN  18   3.918 -10.251  -2.438
  134   2HE2  GLN  18          2HE2      GLN  18   4.540 -10.139  -0.826
  135    H    LEU  19           H        LEU  19   3.990  -3.615   0.503
  136    HA   LEU  19           HA       LEU  19   6.525  -2.706  -0.362
  137   1HB   LEU  19          1HB       LEU  19   4.381  -0.900   0.740
  138   2HB   LEU  19          2HB       LEU  19   5.572  -0.536  -0.487
  139    HG   LEU  19           HG       LEU  19   3.098  -2.224  -0.764
  140   1HD1  LEU  19          1HD1      LEU  19   3.779   0.501  -1.311
  141   2HD1  LEU  19          2HD1      LEU  19   3.344  -0.331  -2.802
  142   3HD1  LEU  19          3HD1      LEU  19   2.219  -0.316  -1.443
  143   1HD2  LEU  19          1HD2      LEU  19   5.212  -3.133  -1.933
  144   2HD2  LEU  19          2HD2      LEU  19   3.730  -2.950  -2.867
  145   3HD2  LEU  19          3HD2      LEU  19   5.016  -1.750  -3.009
  146    H    GLU  20           H        GLU  20   4.777  -2.223   2.712
  147    HA   GLU  20           HA       GLU  20   6.809  -0.704   3.940
  148   1HB   GLU  20          1HB       GLU  20   4.673  -2.457   5.157
  149   2HB   GLU  20          2HB       GLU  20   5.725  -1.401   6.089
  150   1HG   GLU  20          1HG       GLU  20   4.790   0.399   4.374
  151   2HG   GLU  20          2HG       GLU  20   3.438  -0.735   4.331
  152    H    GLN  21           H        GLN  21   6.242  -4.162   3.698
  153    HA   GLN  21           HA       GLN  21   8.197  -5.011   5.540
  154   1HB   GLN  21          1HB       GLN  21   6.381  -6.436   4.568
  155   2HB   GLN  21          2HB       GLN  21   7.261  -6.449   3.046
  156   1HG   GLN  21          1HG       GLN  21   9.126  -7.580   4.114
  157   2HG   GLN  21          2HG       GLN  21   8.286  -7.524   5.664
  158   1HE2  GLN  21          1HE2      GLN  21   6.656 -10.496   5.122
  159   2HE2  GLN  21          2HE2      GLN  21   7.294  -9.311   6.203
  160    H    GLU  22           H        GLU  22   8.278  -4.412   2.059
  161    HA   GLU  22           HA       GLU  22  11.006  -5.090   1.685
  162   1HB   GLU  22          1HB       GLU  22   9.519  -5.083  -0.205
  163   2HB   GLU  22          2HB       GLU  22   9.102  -3.396   0.063
  164   1HG   GLU  22          1HG       GLU  22  10.892  -2.652  -1.030
  165   2HG   GLU  22          2HG       GLU  22  11.948  -3.855  -0.305
  166    H    VAL  23           H        VAL  23   9.319  -2.001   2.231
  167    HA   VAL  23           HA       VAL  23  11.521  -0.293   2.016
  168    HB   VAL  23           HB       VAL  23   8.986  -0.070   3.643
  169   1HG1  VAL  23          1HG1      VAL  23  11.315   1.307   4.250
  170   2HG1  VAL  23          2HG1      VAL  23  10.395   2.438   3.255
  171   3HG1  VAL  23          3HG1      VAL  23   9.675   1.759   4.716
  172   1HG2  VAL  23          1HG2      VAL  23   9.261   0.127   1.010
  173   2HG2  VAL  23          2HG2      VAL  23   8.146   1.159   1.907
  174   3HG2  VAL  23          3HG2      VAL  23   9.730   1.774   1.433
  175    H    ALA  24           H        ALA  24  10.267  -2.074   4.814
  176    HA   ALA  24           HA       ALA  24  12.055  -1.059   6.725
  177   1HB   ALA  24          1HB       ALA  24  10.178  -3.282   6.551
  178   2HB   ALA  24          2HB       ALA  24  11.577  -3.632   7.567
  179   3HB   ALA  24          3HB       ALA  24  10.565  -2.230   7.911
  180    H    GLN  25           H        GLN  25  12.274  -3.875   4.596
  181    HA   GLN  25           HA       GLN  25  14.729  -4.881   5.537
  182   1HB   GLN  25          1HB       GLN  25  13.139  -6.094   4.038
  183   2HB   GLN  25          2HB       GLN  25  13.629  -5.033   2.727
  184   1HG   GLN  25          1HG       GLN  25  15.933  -5.864   2.948
  185   2HG   GLN  25          2HG       GLN  25  15.390  -6.982   4.199
  186   1HE2  GLN  25          1HE2      GLN  25  14.391  -9.390   1.943
  187   2HE2  GLN  25          2HE2      GLN  25  14.807  -8.930   3.565
  188    H    LEU  26           H        LEU  26  14.028  -2.717   2.802
  189    HA   LEU  26           HA       LEU  26  16.711  -2.349   2.053
  190   1HB   LEU  26          1HB       LEU  26  14.362  -0.499   1.640
  191   2HB   LEU  26          2HB       LEU  26  15.891  -0.414   0.789
  192    HG   LEU  26           HG       LEU  26  14.024  -2.777   0.657
  193   1HD1  LEU  26          1HD1      LEU  26  13.246  -0.512  -0.344
  194   2HD1  LEU  26          2HD1      LEU  26  14.457  -0.843  -1.581
  195   3HD1  LEU  26          3HD1      LEU  26  13.132  -1.978  -1.318
  196   1HD2  LEU  26          1HD2      LEU  26  16.742  -2.318  -0.190
  197   2HD2  LEU  26          2HD2      LEU  26  15.794  -3.804  -0.217
  198   3HD2  LEU  26          3HD2      LEU  26  15.702  -2.675  -1.569
  199    H    GLU  27           H        GLU  27  14.631  -0.357   4.175
  200    HA   GLU  27           HA       GLU  27  16.594   1.619   4.694
  201   1HB   GLU  27          1HB       GLU  27  14.190   0.701   6.270
  202   2HB   GLU  27          2HB       GLU  27  15.210   2.031   6.795
  203   1HG   GLU  27          1HG       GLU  27  13.893   1.981   4.100
  204   2HG   GLU  27          2HG       GLU  27  13.100   2.627   5.533
  205    H    HIS  28           H        HIS  28  15.805  -1.429   6.269
  206    HA   HIS  28           HA       HIS  28  17.578  -1.165   8.459
  207   1HB   HIS  28          1HB       HIS  28  15.736  -2.761   8.478
  208   2HB   HIS  28          2HB       HIS  28  16.433  -3.625   7.117
  209    HD1  HIS  28           HD1      HIS  28  17.883  -2.624  10.541
  210    HD2  HIS  28           HD2      HIS  28  17.392  -5.916   8.040
  211    HE1  HIS  28           HE1      HIS  28  18.947  -4.590  11.727
  212    H    GLU  29           H        GLU  29  17.933  -2.429   5.186
  213    HA   GLU  29           HA       GLU  29  20.565  -3.468   5.527
  214   1HB   GLU  29          1HB       GLU  29  18.976  -2.652   3.092
  215   2HB   GLU  29          2HB       GLU  29  20.612  -3.282   2.980
  216   1HG   GLU  29          1HG       GLU  29  18.345  -4.771   4.293
  217   2HG   GLU  29          2HG       GLU  29  18.788  -4.948   2.593
  218    H    CYS  30           H        CYS  30  19.197  -0.394   4.644
  219    HA   CYS  30           HA       CYS  30  21.631   0.867   3.859
  220   1HB   CYS  30          1HB       CYS  30  18.940   1.945   4.694
  221   2HB   CYS  30          2HB       CYS  30  20.267   2.989   4.213
  222    H    GLY  31           H        GLY  31  19.711   0.912   6.858
  223   1HA   GLY  31          1HA       GLY  31  21.161   0.759   8.909
  224   2HA   GLY  31          2HA       GLY  31  22.047   2.108   8.215
  225   1HN   NH2  32          1HN       NH2  32  21.543   4.008   9.022
  226   2HN   NH2  32          2HN       NH2  32  20.007   4.475   9.669
  227   1H    ACE   0          1H        ACE   0 -19.501  -2.296   6.865
  228   2H    ACE   0          2H        ACE   0 -18.253  -1.054   6.981
  229   3H    ACE   0          3H        ACE   0 -18.124  -2.323   5.760
  230    H    GLU   1           H        GLU   1 -18.858   0.837   6.175
  231    HA   GLU   1           HA       GLU   1 -21.069   1.004   4.317
  232   1HB   GLU   1          1HB       GLU   1 -20.164   2.611   6.382
  233   2HB   GLU   1          2HB       GLU   1 -19.673   3.497   4.948
  234   1HG   GLU   1          1HG       GLU   1 -22.484   2.514   5.353
  235   2HG   GLU   1          2HG       GLU   1 -21.920   4.072   5.949
  236    H    VAL   2           H        VAL   2 -20.951   1.723   2.230
  237    HA   VAL   2           HA       VAL   2 -18.686   1.176   0.702
  238    HB   VAL   2           HB       VAL   2 -21.065   2.935   0.082
  239   1HG1  VAL   2          1HG1      VAL   2 -18.778   3.250  -1.247
  240   2HG1  VAL   2          2HG1      VAL   2 -19.396   1.843  -2.114
  241   3HG1  VAL   2          3HG1      VAL   2 -20.349   3.323  -2.042
  242   1HG2  VAL   2          1HG2      VAL   2 -21.559   0.572   0.435
  243   2HG2  VAL   2          2HG2      VAL   2 -21.803   1.031  -1.250
  244   3HG2  VAL   2          3HG2      VAL   2 -20.361   0.132  -0.783
  245    H    GLN   3           H        GLN   3 -19.961   4.318   1.766
  246    HA   GLN   3           HA       GLN   3 -17.912   5.892   0.636
  247   1HB   GLN   3          1HB       GLN   3 -20.199   6.621   1.519
  248   2HB   GLN   3          2HB       GLN   3 -19.490   6.570   3.128
  249   1HG   GLN   3          1HG       GLN   3 -18.243   8.196   0.942
  250   2HG   GLN   3          2HG       GLN   3 -19.609   8.813   1.867
  251   1HE2  GLN   3          1HE2      GLN   3 -17.423   8.377   4.920
  252   2HE2  GLN   3          2HE2      GLN   3 -18.788   7.486   4.323
  253    H    ALA   4           H        ALA   4 -18.238   4.247   3.716
  254    HA   ALA   4           HA       ALA   4 -15.991   5.342   5.022
  255   1HB   ALA   4          1HB       ALA   4 -17.893   3.961   6.012
  256   2HB   ALA   4          2HB       ALA   4 -17.016   2.547   5.431
  257   3HB   ALA   4          3HB       ALA   4 -16.268   3.624   6.609
  258    H    LEU   5           H        LEU   5 -16.403   2.490   2.974
  259    HA   LEU   5           HA       LEU   5 -13.718   1.594   3.208
  260   1HB   LEU   5          1HB       LEU   5 -15.865   0.986   1.182
  261   2HB   LEU   5          2HB       LEU   5 -14.296   0.204   1.198
  262    HG   LEU   5           HG       LEU   5 -16.332   0.077   3.422
  263   1HD1  LEU   5          1HD1      LEU   5 -16.117  -1.367   0.989
  264   2HD1  LEU   5          2HD1      LEU   5 -15.675  -2.448   2.311
  265   3HD1  LEU   5          3HD1      LEU   5 -17.237  -1.627   2.327
  266   1HD2  LEU   5          1HD2      LEU   5 -13.767  -0.042   3.897
  267   2HD2  LEU   5          2HD2      LEU   5 -14.858  -1.218   4.631
  268   3HD2  LEU   5          3HD2      LEU   5 -13.912  -1.659   3.209
  269    H    LYS   6           H        LYS   6 -15.355   3.824   1.040
  270    HA   LYS   6           HA       LYS   6 -13.387   3.916  -0.963
  271   1HB   LYS   6          1HB       LYS   6 -15.328   6.025  -0.012
  272   2HB   LYS   6          2HB       LYS   6 -14.328   6.190  -1.445
  273   1HG   LYS   6          1HG       LYS   6 -15.398   4.253  -2.444
  274   2HG   LYS   6          2HG       LYS   6 -16.377   4.036  -0.993
  275   1HD   LYS   6          1HD       LYS   6 -17.714   5.134  -2.627
  276   2HD   LYS   6          2HD       LYS   6 -17.313   6.315  -1.380
  277   1HE   LYS   6          1HE       LYS   6 -15.535   7.210  -2.793
  278   2HE   LYS   6          2HE       LYS   6 -15.918   6.022  -4.037
  279   1HZ   LYS   6          1HZ       LYS   6 -18.133   7.018  -4.221
  280   2HZ   LYS   6          2HZ       LYS   6 -17.706   8.186  -3.070
  281   3HZ   LYS   6          3HZ       LYS   6 -16.906   8.132  -4.566
  282    H    LYS   7           H        LYS   7 -13.737   5.600   2.101
  283    HA   LYS   7           HA       LYS   7 -11.522   7.339   1.739
  284   1HB   LYS   7          1HB       LYS   7 -12.550   6.337   4.401
  285   2HB   LYS   7          2HB       LYS   7 -11.687   7.834   4.083
  286   1HG   LYS   7          1HG       LYS   7 -14.538   7.141   3.505
  287   2HG   LYS   7          2HG       LYS   7 -13.879   8.518   4.385
  288   1HD   LYS   7          1HD       LYS   7 -13.653   8.051   1.413
  289   2HD   LYS   7          2HD       LYS   7 -14.775   9.169   2.194
  290   1HE   LYS   7          1HE       LYS   7 -12.959  10.523   3.000
  291   2HE   LYS   7          2HE       LYS   7 -11.772   9.344   2.442
  292   1HZ   LYS   7          1HZ       LYS   7 -12.817   9.777   0.149
  293   2HZ   LYS   7          2HZ       LYS   7 -13.423  11.198   0.847
  294   3HZ   LYS   7          3HZ       LYS   7 -11.748  10.928   0.787
  295    H    ARG   8           H        ARG   8 -11.910   4.070   2.940
  296    HA   ARG   8           HA       ARG   8  -9.315   3.747   4.023
  297   1HB   ARG   8          1HB       ARG   8 -11.250   2.210   4.441
  298   2HB   ARG   8          2HB       ARG   8 -11.075   1.619   2.793
  299   1HG   ARG   8          1HG       ARG   8  -9.943   0.036   4.032
  300   2HG   ARG   8          2HG       ARG   8  -8.645   1.096   3.478
  301   1HD   ARG   8          1HD       ARG   8  -9.011   2.336   5.707
  302   2HD   ARG   8          2HD       ARG   8  -9.879   0.882   6.197
  303    HE   ARG   8           HE       ARG   8  -7.847  -0.367   5.947
  304   1HH1  ARG   8          1HH1      ARG   8  -7.522   3.126   5.894
  305   2HH1  ARG   8          2HH1      ARG   8  -5.791   3.096   6.117
  306   1HH2  ARG   8          1HH2      ARG   8  -5.572  -0.410   6.246
  307   2HH2  ARG   8          2HH2      ARG   8  -4.695   1.092   6.312
  308    H    VAL   9           H        VAL   9 -10.738   3.063   0.864
  309    HA   VAL   9           HA       VAL   9  -8.509   1.969  -0.406
  310    HB   VAL   9           HB       VAL   9 -10.745   3.638  -1.585
  311   1HG1  VAL   9          1HG1      VAL   9  -8.687   1.902  -2.944
  312   2HG1  VAL   9          2HG1      VAL   9 -10.149   2.508  -3.726
  313   3HG1  VAL   9          3HG1      VAL   9  -8.925   3.639  -3.146
  314   1HG2  VAL   9          1HG2      VAL   9 -11.447   1.576  -0.414
  315   2HG2  VAL   9          2HG2      VAL   9 -11.778   1.527  -2.145
  316   3HG2  VAL   9          3HG2      VAL   9 -10.403   0.643  -1.487
  317    H    GLN  10           H        GLN  10  -9.618   5.355  -0.309
  318    HA   GLN  10           HA       GLN  10  -7.546   6.456  -1.835
  319   1HB   GLN  10          1HB       GLN  10  -9.200   7.702   0.362
  320   2HB   GLN  10          2HB       GLN  10  -8.158   8.606  -0.724
  321   1HG   GLN  10          1HG       GLN  10 -10.488   6.916  -1.602
  322   2HG   GLN  10          2HG       GLN  10 -10.551   8.658  -1.346
  323   1HE2  GLN  10          1HE2      GLN  10  -9.610   9.300  -4.595
  324   2HE2  GLN  10          2HE2      GLN  10 -10.498   9.732  -3.176
  325    H    ALA  11           H        ALA  11  -7.783   5.877   1.649
  326    HA   ALA  11           HA       ALA  11  -5.373   7.197   2.342
  327   1HB   ALA  11          1HB       ALA  11  -7.384   6.339   3.812
  328   2HB   ALA  11          2HB       ALA  11  -6.367   4.904   3.961
  329   3HB   ALA  11          3HB       ALA  11  -5.756   6.476   4.481
  330    H    LEU  12           H        LEU  12  -6.152   3.812   1.669
  331    HA   LEU  12           HA       LEU  12  -3.594   2.756   2.159
  332   1HB   LEU  12          1HB       LEU  12  -5.920   1.826   0.524
  333   2HB   LEU  12          2HB       LEU  12  -4.424   0.920   0.565
  334    HG   LEU  12           HG       LEU  12  -5.957   1.621   3.062
  335   1HD1  LEU  12          1HD1      LEU  12  -6.655  -0.247   1.002
  336   2HD1  LEU  12          2HD1      LEU  12  -6.219  -1.115   2.472
  337   3HD1  LEU  12          3HD1      LEU  12  -7.489   0.106   2.514
  338   1HD2  LEU  12          1HD2      LEU  12  -3.407   0.541   2.563
  339   2HD2  LEU  12          2HD2      LEU  12  -4.255   0.646   4.108
  340   3HD2  LEU  12          3HD2      LEU  12  -4.418  -0.799   3.105
  341    H    LYS  13           H        LYS  13  -5.146   3.656  -0.924
  342    HA   LYS  13           HA       LYS  13  -2.962   3.079  -2.578
  343   1HB   LYS  13          1HB       LYS  13  -5.340   4.870  -2.806
  344   2HB   LYS  13          2HB       LYS  13  -4.048   5.047  -3.985
  345   1HG   LYS  13          1HG       LYS  13  -5.903   3.562  -4.711
  346   2HG   LYS  13          2HG       LYS  13  -4.319   2.790  -4.724
  347   1HD   LYS  13          1HD       LYS  13  -4.797   1.573  -2.747
  348   2HD   LYS  13          2HD       LYS  13  -6.237   2.538  -2.421
  349   1HE   LYS  13          1HE       LYS  13  -6.878   0.370  -3.265
  350   2HE   LYS  13          2HE       LYS  13  -7.289   1.616  -4.438
  351   1HZ   LYS  13          1HZ       LYS  13  -4.821  -0.026  -4.602
  352   2HZ   LYS  13          2HZ       LYS  13  -6.277  -0.431  -5.379
  353   3HZ   LYS  13          3HZ       LYS  13  -5.463   0.997  -5.793
  354    H    ALA  14           H        ALA  14  -3.685   5.950  -0.659
  355    HA   ALA  14           HA       ALA  14  -1.685   7.629  -1.735
  356   1HB   ALA  14          1HB       ALA  14  -3.648   7.938   0.130
  357   2HB   ALA  14          2HB       ALA  14  -2.197   7.942   1.134
  358   3HB   ALA  14          3HB       ALA  14  -2.362   9.104  -0.182
  359    H    ARG  15           H        ARG  15  -1.707   5.306   0.919
  360    HA   ARG  15           HA       ARG  15   1.003   5.726   1.719
  361   1HB   ARG  15          1HB       ARG  15  -0.878   3.398   2.144
  362   2HB   ARG  15          2HB       ARG  15   0.713   3.522   2.879
  363   1HG   ARG  15          1HG       ARG  15  -1.425   5.585   3.282
  364   2HG   ARG  15          2HG       ARG  15  -1.250   4.169   4.319
  365   1HD   ARG  15          1HD       ARG  15   0.886   6.235   3.818
  366   2HD   ARG  15          2HD       ARG  15  -0.159   6.169   5.230
  367    HE   ARG  15           HE       ARG  15   0.928   4.157   5.909
  368   1HH1  ARG  15          1HH1      ARG  15   2.465   5.785   3.218
  369   2HH1  ARG  15          2HH1      ARG  15   4.000   5.017   3.451
  370   1HH2  ARG  15          1HH2      ARG  15   2.927   3.122   6.214
  371   2HH2  ARG  15          2HH2      ARG  15   4.266   3.472   5.165
  372    H    ASN  16           H        ASN  16  -0.649   3.341  -0.286
  373    HA   ASN  16           HA       ASN  16   1.498   1.702  -0.934
  374   1HB   ASN  16          1HB       ASN  16  -1.108   2.384  -2.252
  375   2HB   ASN  16          2HB       ASN  16   0.040   1.357  -3.085
  376   1HD2  ASN  16          1HD2      ASN  16  -1.140  -1.445  -1.471
  377   2HD2  ASN  16          2HD2      ASN  16  -0.522  -0.693  -2.896
  378    H    TYR  17           H        TYR  17   0.264   4.592  -2.546
  379    HA   TYR  17           HA       TYR  17   1.975   4.621  -4.761
  380   1HB   TYR  17          1HB       TYR  17  -0.115   6.028  -4.247
  381   2HB   TYR  17          2HB       TYR  17   0.966   7.089  -3.359
  382    HD1  TYR  17           HD1      TYR  17   0.918   5.405  -6.700
  383    HD2  TYR  17           HD2      TYR  17   1.634   8.968  -4.486
  384    HE1  TYR  17           HE1      TYR  17   1.446   6.589  -8.788
  385    HE2  TYR  17           HE2      TYR  17   2.164  10.161  -6.567
  386    HH   TYR  17           HH       TYR  17   1.444   8.891  -9.630
  387    H    ALA  18           H        ALA  18   2.318   6.074  -1.546
  388    HA   ALA  18           HA       ALA  18   4.831   7.308  -2.104
  389   1HB   ALA  18          1HB       ALA  18   3.301   6.786   0.421
  390   2HB   ALA  18          2HB       ALA  18   4.912   7.502   0.439
  391   3HB   ALA  18          3HB       ALA  18   3.594   8.321  -0.399
  392    H    ALA  19           H        ALA  19   3.867   4.315  -0.472
  393    HA   ALA  19           HA       ALA  19   6.429   3.557   0.400
  394   1HB   ALA  19          1HB       ALA  19   4.401   2.544   1.280
  395   2HB   ALA  19          2HB       ALA  19   4.072   1.806  -0.288
  396   3HB   ALA  19          3HB       ALA  19   5.488   1.310   0.641
  397    H    LYS  20           H        LYS  20   4.731   2.976  -2.656
  398    HA   LYS  20           HA       LYS  20   6.565   1.151  -3.768
  399   1HB   LYS  20          1HB       LYS  20   4.578   3.071  -4.936
  400   2HB   LYS  20          2HB       LYS  20   5.667   2.174  -5.988
  401   1HG   LYS  20          1HG       LYS  20   4.806   0.078  -5.158
  402   2HG   LYS  20          2HG       LYS  20   3.784   0.924  -3.994
  403   1HD   LYS  20          1HD       LYS  20   2.459   1.871  -5.739
  404   2HD   LYS  20          2HD       LYS  20   3.584   1.304  -6.974
  405   1HE   LYS  20          1HE       LYS  20   1.982  -0.488  -5.158
  406   2HE   LYS  20          2HE       LYS  20   1.529  -0.068  -6.808
  407   1HZ   LYS  20          1HZ       LYS  20   4.160  -0.976  -6.890
  408   2HZ   LYS  20          2HZ       LYS  20   3.298  -2.081  -5.932
  409   3HZ   LYS  20          3HZ       LYS  20   2.775  -1.743  -7.506
  410    H    GLN  21           H        GLN  21   6.504   4.652  -3.608
  411    HA   GLN  21           HA       GLN  21   8.737   5.078  -5.339
  412   1HB   GLN  21          1HB       GLN  21   7.570   6.843  -3.165
  413   2HB   GLN  21          2HB       GLN  21   8.787   7.353  -4.328
  414   1HG   GLN  21          1HG       GLN  21   7.263   7.134  -6.138
  415   2HG   GLN  21          2HG       GLN  21   6.065   6.352  -5.107
  416   1HE2  GLN  21          1HE2      GLN  21   4.518   9.320  -4.343
  417   2HE2  GLN  21          2HE2      GLN  21   4.462   7.602  -4.583
  418    H    LYS  22           H        LYS  22   8.269   4.715  -1.878
  419    HA   LYS  22           HA       LYS  22  10.888   5.211  -1.020
  420   1HB   LYS  22          1HB       LYS  22   8.655   3.499   0.056
  421   2HB   LYS  22          2HB       LYS  22  10.224   3.523   0.840
  422   1HG   LYS  22          1HG       LYS  22   8.571   5.986   0.363
  423   2HG   LYS  22          2HG       LYS  22   8.513   5.027   1.842
  424   1HD   LYS  22          1HD       LYS  22  10.972   6.351   0.709
  425   2HD   LYS  22          2HD       LYS  22  10.000   6.969   2.043
  426   1HE   LYS  22          1HE       LYS  22  10.518   4.902   3.316
  427   2HE   LYS  22          2HE       LYS  22  11.567   4.391   1.996
  428   1HZ   LYS  22          1HZ       LYS  22  12.757   6.596   2.377
  429   2HZ   LYS  22          2HZ       LYS  22  11.922   6.668   3.851
  430   3HZ   LYS  22          3HZ       LYS  22  12.989   5.385   3.546
  431    H    VAL  23           H        VAL  23   9.295   2.188  -1.935
  432    HA   VAL  23           HA       VAL  23  11.387   0.424  -1.540
  433    HB   VAL  23           HB       VAL  23   9.255   0.390  -3.691
  434   1HG1  VAL  23          1HG1      VAL  23  11.549  -1.192  -3.556
  435   2HG1  VAL  23          2HG1      VAL  23  10.247  -2.205  -2.937
  436   3HG1  VAL  23          3HG1      VAL  23  10.110  -1.474  -4.539
  437   1HG2  VAL  23          1HG2      VAL  23   8.727   0.305  -1.127
  438   2HG2  VAL  23          2HG2      VAL  23   7.908  -0.783  -2.243
  439   3HG2  VAL  23          3HG2      VAL  23   9.261  -1.368  -1.276
  440    H    GLN  24           H        GLN  24  10.560   2.123  -4.576
  441    HA   GLN  24           HA       GLN  24  12.799   1.175  -6.002
  442   1HB   GLN  24          1HB       GLN  24  11.193   3.695  -6.463
  443   2HB   GLN  24          2HB       GLN  24  12.290   2.949  -7.619
  444   1HG   GLN  24          1HG       GLN  24  10.892   0.991  -7.744
  445   2HG   GLN  24          2HG       GLN  24   9.824   1.639  -6.499
  446   1HE2  GLN  24          1HE2      GLN  24   7.853   3.330  -8.754
  447   2HE2  GLN  24          2HE2      GLN  24   8.079   2.634  -7.189
  448    H    ALA  25           H        ALA  25  12.322   4.030  -3.990
  449    HA   ALA  25           HA       ALA  25  14.765   5.294  -4.704
  450   1HB   ALA  25          1HB       ALA  25  12.687   5.669  -2.646
  451   2HB   ALA  25          2HB       ALA  25  14.286   6.307  -2.265
  452   3HB   ALA  25          3HB       ALA  25  13.449   6.840  -3.721
  453    H    LEU  26           H        LEU  26  13.823   3.184  -2.019
  454    HA   LEU  26           HA       LEU  26  16.326   3.235  -0.705
  455   1HB   LEU  26          1HB       LEU  26  14.193   1.114  -0.616
  456   2HB   LEU  26          2HB       LEU  26  15.500   1.311   0.534
  457    HG   LEU  26           HG       LEU  26  13.270   3.282   0.074
  458   1HD1  LEU  26          1HD1      LEU  26  13.136   0.892   1.383
  459   2HD1  LEU  26          2HD1      LEU  26  13.549   2.011   2.683
  460   3HD1  LEU  26          3HD1      LEU  26  12.110   2.290   1.701
  461   1HD2  LEU  26          1HD2      LEU  26  15.737   3.888   0.944
  462   2HD2  LEU  26          2HD2      LEU  26  14.274   4.707   1.492
  463   3HD2  LEU  26          3HD2      LEU  26  14.975   3.413   2.464
  464    H    ARG  27           H        ARG  27  14.969   1.113  -3.191
  465    HA   ARG  27           HA       ARG  27  17.063  -0.795  -3.079
  466   1HB   ARG  27          1HB       ARG  27  14.979  -0.122  -5.133
  467   2HB   ARG  27          2HB       ARG  27  16.254  -1.269  -5.510
  468   1HG   ARG  27          1HG       ARG  27  15.570  -2.605  -3.568
  469   2HG   ARG  27          2HG       ARG  27  14.266  -1.453  -3.266
  470   1HD   ARG  27          1HD       ARG  27  13.118  -2.943  -4.498
  471   2HD   ARG  27          2HD       ARG  27  13.753  -1.967  -5.803
  472    HE   ARG  27           HE       ARG  27  15.011  -3.745  -6.492
  473   1HH1  ARG  27          1HH1      ARG  27  13.757  -4.409  -3.293
  474   2HH1  ARG  27          2HH1      ARG  27  14.596  -5.924  -3.127
  475   1HH2  ARG  27          1HH2      ARG  27  16.002  -5.802  -6.368
  476   2HH2  ARG  27          2HH2      ARG  27  15.831  -6.756  -4.914
  477    H    HIS  28           H        HIS  28  16.641   2.261  -4.654
  478    HA   HIS  28           HA       HIS  28  18.966   2.085  -6.344
  479   1HB   HIS  28          1HB       HIS  28  16.980   3.556  -6.812
  480   2HB   HIS  28          2HB       HIS  28  17.410   4.509  -5.402
  481    HD1  HIS  28           HD1      HIS  28  17.291   6.207  -7.734
  482    HD2  HIS  28           HD2      HIS  28  20.679   3.932  -6.958
  483    HE1  HIS  28           HE1      HIS  28  19.186   7.299  -9.007
  484    H    LYS  29           H        LYS  29  18.063   3.588  -3.312
  485    HA   LYS  29           HA       LYS  29  20.408   4.906  -2.629
  486   1HB   LYS  29          1HB       LYS  29  18.309   5.315  -1.519
  487   2HB   LYS  29          2HB       LYS  29  18.213   3.653  -0.975
  488   1HG   LYS  29          1HG       LYS  29  20.139   4.046   0.503
  489   2HG   LYS  29          2HG       LYS  29  20.158   5.738  -0.015
  490   1HD   LYS  29          1HD       LYS  29  17.934   6.082   0.850
  491   2HD   LYS  29          2HD       LYS  29  17.771   4.368   1.223
  492   1HE   LYS  29          1HE       LYS  29  19.587   4.574   2.870
  493   2HE   LYS  29          2HE       LYS  29  19.696   6.300   2.520
  494   1HZ   LYS  29          1HZ       LYS  29  17.268   6.393   3.166
  495   2HZ   LYS  29          2HZ       LYS  29  17.448   4.829   3.786
  496   3HZ   LYS  29          3HZ       LYS  29  18.362   6.104   4.432
  497    H    CYS  30           H        CYS  30  19.376   1.591  -1.909
  498    HA   CYS  30           HA       CYS  30  22.182   0.921  -1.355
  499   1HB   CYS  30          1HB       CYS  30  19.863  -0.015   0.339
  500   2HB   CYS  30          2HB       CYS  30  21.556  -0.438   0.565
  501    H    GLY  31           H        GLY  31  19.025  -0.771  -1.347
  502   1HA   GLY  31          1HA       GLY  31  18.285  -2.445  -2.785
  503   2HA   GLY  31          2HA       GLY  31  19.822  -2.350  -3.641
  504   1HN   NH2  32          1HN       NH2  32  21.510  -3.635  -3.012
  505   2HN   NH2  32          2HN       NH2  32  21.386  -4.864  -1.796
  Start of MODEL    3
    1   1H    ACE   0          1H        ACE   0 -17.670   0.840  -6.396
    2   2H    ACE   0          2H        ACE   0 -18.375   2.264  -5.624
    3   3H    ACE   0          3H        ACE   0 -19.206   1.492  -6.978
    4    H    GLU   1           H        GLU   1 -18.895  -1.186  -6.227
    5    HA   GLU   1           HA       GLU   1 -21.000  -1.428  -4.308
    6   1HB   GLU   1          1HB       GLU   1 -20.358  -2.947  -6.362
    7   2HB   GLU   1          2HB       GLU   1 -19.339  -3.755  -5.180
    8   1HG   GLU   1          1HG       GLU   1 -21.316  -4.968  -5.170
    9   2HG   GLU   1          2HG       GLU   1 -21.437  -3.934  -3.752
   10    H    VAL   2           H        VAL   2 -20.866  -2.653  -2.312
   11    HA   VAL   2           HA       VAL   2 -18.777  -1.860  -0.629
   12    HB   VAL   2           HB       VAL   2 -20.514  -4.277  -0.141
   13   1HG1  VAL   2          1HG1      VAL   2 -18.640  -3.854   1.418
   14   2HG1  VAL   2          2HG1      VAL   2 -19.340  -2.277   1.784
   15   3HG1  VAL   2          3HG1      VAL   2 -20.223  -3.749   2.189
   16   1HG2  VAL   2          1HG2      VAL   2 -21.387  -1.616  -0.603
   17   2HG2  VAL   2          2HG2      VAL   2 -22.338  -3.016  -0.106
   18   3HG2  VAL   2          3HG2      VAL   2 -21.601  -1.974   1.111
   19    H    ALA   3           H        ALA   3 -19.472  -5.118  -1.916
   20    HA   ALA   3           HA       ALA   3 -17.219  -6.429  -0.971
   21   1HB   ALA   3          1HB       ALA   3 -19.231  -7.434  -2.143
   22   2HB   ALA   3          2HB       ALA   3 -18.437  -7.005  -3.659
   23   3HB   ALA   3          3HB       ALA   3 -17.661  -8.130  -2.547
   24    H    GLN   4           H        GLN   4 -17.628  -4.635  -3.991
   25    HA   GLN   4           HA       GLN   4 -15.159  -5.137  -5.177
   26   1HB   GLN   4          1HB       GLN   4 -16.838  -2.628  -5.236
   27   2HB   GLN   4          2HB       GLN   4 -15.495  -2.951  -6.326
   28   1HG   GLN   4          1HG       GLN   4 -17.952  -4.675  -6.112
   29   2HG   GLN   4          2HG       GLN   4 -17.745  -3.382  -7.291
   30   1HE2  GLN   4          1HE2      GLN   4 -16.113  -5.405  -9.540
   31   2HE2  GLN   4          2HE2      GLN   4 -17.084  -4.006  -9.191
   32    H    LEU   5           H        LEU   5 -16.136  -2.461  -3.084
   33    HA   LEU   5           HA       LEU   5 -13.629  -1.236  -2.897
   34   1HB   LEU   5          1HB       LEU   5 -16.021  -1.217  -1.084
   35   2HB   LEU   5          2HB       LEU   5 -14.614  -0.198  -0.820
   36    HG   LEU   5           HG       LEU   5 -16.347  -0.139  -3.298
   37   1HD1  LEU   5          1HD1      LEU   5 -17.004   0.792  -0.801
   38   2HD1  LEU   5          2HD1      LEU   5 -16.318   2.210  -1.592
   39   3HD1  LEU   5          3HD1      LEU   5 -17.674   1.357  -2.331
   40   1HD2  LEU   5          1HD2      LEU   5 -13.737   0.851  -2.767
   41   2HD2  LEU   5          2HD2      LEU   5 -14.723   1.064  -4.211
   42   3HD2  LEU   5          3HD2      LEU   5 -14.836   2.227  -2.890
   43    H    GLU   6           H        GLU   6 -15.190  -3.703  -0.893
   44    HA   GLU   6           HA       GLU   6 -13.270  -3.859   1.152
   45   1HB   GLU   6          1HB       GLU   6 -15.046  -6.013  -0.019
   46   2HB   GLU   6          2HB       GLU   6 -14.118  -6.197   1.461
   47   1HG   GLU   6          1HG       GLU   6 -15.886  -3.853   1.353
   48   2HG   GLU   6          2HG       GLU   6 -16.691  -5.421   1.359
   49    H    LYS   7           H        LYS   7 -13.498  -5.460  -1.985
   50    HA   LYS   7           HA       LYS   7 -11.187  -7.093  -1.645
   51   1HB   LYS   7          1HB       LYS   7 -12.641  -6.201  -4.143
   52   2HB   LYS   7          2HB       LYS   7 -11.378  -7.425  -4.106
   53   1HG   LYS   7          1HG       LYS   7 -12.731  -8.863  -2.743
   54   2HG   LYS   7          2HG       LYS   7 -13.961  -7.612  -2.575
   55   1HD   LYS   7          1HD       LYS   7 -14.796  -9.079  -4.206
   56   2HD   LYS   7          2HD       LYS   7 -14.173  -7.702  -5.111
   57   1HE   LYS   7          1HE       LYS   7 -12.570 -10.191  -4.618
   58   2HE   LYS   7          2HE       LYS   7 -13.626  -9.998  -6.013
   59   1HZ   LYS   7          1HZ       LYS   7 -12.318  -7.941  -6.532
   60   2HZ   LYS   7          2HZ       LYS   7 -11.206  -8.419  -5.342
   61   3HZ   LYS   7          3HZ       LYS   7 -11.469  -9.399  -6.696
   62    H    GLU   8           H        GLU   8 -11.780  -3.900  -2.977
   63    HA   GLU   8           HA       GLU   8  -9.192  -3.514  -4.092
   64   1HB   GLU   8          1HB       GLU   8 -11.170  -2.196  -4.761
   65   2HB   GLU   8          2HB       GLU   8 -11.256  -1.503  -3.148
   66   1HG   GLU   8          1HG       GLU   8 -10.274   0.126  -4.481
   67   2HG   GLU   8          2HG       GLU   8  -8.941  -0.578  -3.569
   68    H    VAL   9           H        VAL   9 -10.693  -2.857  -0.972
   69    HA   VAL   9           HA       VAL   9  -8.541  -1.432   0.184
   70    HB   VAL   9           HB       VAL   9 -10.770  -3.048   1.445
   71   1HG1  VAL   9          1HG1      VAL   9  -8.331  -2.190   2.648
   72   2HG1  VAL   9          2HG1      VAL   9  -9.652  -1.220   3.300
   73   3HG1  VAL   9          3HG1      VAL   9  -9.718  -2.979   3.402
   74   1HG2  VAL   9          1HG2      VAL   9 -10.308  -0.136   0.905
   75   2HG2  VAL   9          2HG2      VAL   9 -11.711  -1.132   0.523
   76   3HG2  VAL   9          3HG2      VAL   9 -11.395  -0.657   2.192
   77    H    ALA  10           H        ALA  10  -9.512  -4.836   0.296
   78    HA   ALA  10           HA       ALA  10  -7.371  -5.769   1.854
   79   1HB   ALA  10          1HB       ALA  10  -9.591  -6.893   0.523
   80   2HB   ALA  10          2HB       ALA  10  -8.163  -7.771  -0.025
   81   3HB   ALA  10          3HB       ALA  10  -8.524  -7.663   1.698
   82    H    GLN  11           H        GLN  11  -7.656  -5.062  -1.555
   83    HA   GLN  11           HA       GLN  11  -5.329  -6.403  -2.454
   84   1HB   GLN  11          1HB       GLN  11  -7.282  -5.399  -3.843
   85   2HB   GLN  11          2HB       GLN  11  -6.429  -3.874  -3.671
   86   1HG   GLN  11          1HG       GLN  11  -5.821  -4.822  -5.770
   87   2HG   GLN  11          2HG       GLN  11  -4.428  -4.928  -4.692
   88   1HE2  GLN  11          1HE2      GLN  11  -5.703  -8.169  -6.526
   89   2HE2  GLN  11          2HE2      GLN  11  -6.071  -6.534  -6.961
   90    H    ALA  12           H        ALA  12  -6.030  -3.094  -1.473
   91    HA   ALA  12           HA       ALA  12  -3.396  -2.121  -1.787
   92   1HB   ALA  12          1HB       ALA  12  -5.730  -1.090  -0.207
   93   2HB   ALA  12          2HB       ALA  12  -4.198  -0.231  -0.357
   94   3HB   ALA  12          3HB       ALA  12  -5.173  -0.552  -1.792
   95    H    GLU  13           H        GLU  13  -5.207  -3.287   1.017
   96    HA   GLU  13           HA       GLU  13  -3.300  -2.843   2.994
   97   1HB   GLU  13          1HB       GLU  13  -5.478  -4.888   2.666
   98   2HB   GLU  13          2HB       GLU  13  -4.456  -4.870   4.094
   99   1HG   GLU  13          1HG       GLU  13  -5.786  -2.342   3.306
  100   2HG   GLU  13          2HG       GLU  13  -6.784  -3.627   3.992
  101    H    ALA  14           H        ALA  14  -3.770  -5.636   0.864
  102    HA   ALA  14           HA       ALA  14  -1.762  -7.275   1.950
  103   1HB   ALA  14          1HB       ALA  14  -3.293  -7.189  -0.585
  104   2HB   ALA  14          2HB       ALA  14  -1.791  -8.116  -0.588
  105   3HB   ALA  14          3HB       ALA  14  -3.069  -8.508   0.562
  106    H    GLU  15           H        GLU  15  -1.682  -5.039  -0.824
  107    HA   GLU  15           HA       GLU  15   1.039  -5.391  -1.447
  108   1HB   GLU  15          1HB       GLU  15  -0.767  -3.004  -1.836
  109   2HB   GLU  15          2HB       GLU  15   0.864  -3.107  -2.480
  110   1HG   GLU  15          1HG       GLU  15   0.229  -5.015  -3.831
  111   2HG   GLU  15          2HG       GLU  15  -1.400  -4.956  -3.161
  112    H    ASN  16           H        ASN  16  -0.624  -2.976   0.533
  113    HA   ASN  16           HA       ASN  16   1.471  -1.371   1.296
  114   1HB   ASN  16          1HB       ASN  16  -1.046  -1.212   1.832
  115   2HB   ASN  16          2HB       ASN  16  -0.690  -2.228   3.221
  116   1HD2  ASN  16          1HD2      ASN  16  -0.301   1.647   3.543
  117   2HD2  ASN  16          2HD2      ASN  16  -1.213   0.816   2.330
  118    H    TYR  17           H        TYR  17   0.350  -4.332   2.879
  119    HA   TYR  17           HA       TYR  17   2.188  -4.389   4.985
  120   1HB   TYR  17          1HB       TYR  17   0.104  -5.857   4.545
  121   2HB   TYR  17          2HB       TYR  17   1.187  -6.867   3.598
  122    HD1  TYR  17           HD1      TYR  17   2.887  -5.368   6.343
  123    HD2  TYR  17           HD2      TYR  17   0.306  -8.589   5.310
  124    HE1  TYR  17           HE1      TYR  17   3.542  -6.545   8.400
  125    HE2  TYR  17           HE2      TYR  17   0.953  -9.768   7.370
  126    HH   TYR  17           HH       TYR  17   1.849  -9.157   9.637
  127    H    GLN  18           H        GLN  18   2.402  -5.593   1.672
  128    HA   GLN  18           HA       GLN  18   4.922  -6.887   2.000
  129   1HB   GLN  18          1HB       GLN  18   3.616  -5.874  -0.531
  130   2HB   GLN  18          2HB       GLN  18   4.956  -7.008  -0.445
  131   1HG   GLN  18          1HG       GLN  18   3.553  -8.656   0.609
  132   2HG   GLN  18          2HG       GLN  18   2.208  -7.515   0.667
  133   1HE2  GLN  18          1HE2      GLN  18   2.525  -9.881  -2.435
  134   2HE2  GLN  18          2HE2      GLN  18   3.195 -10.142  -0.854
  135    H    LEU  19           H        LEU  19   3.919  -3.728   0.765
  136    HA   LEU  19           HA       LEU  19   6.390  -2.807  -0.153
  137   1HB   LEU  19          1HB       LEU  19   4.321  -1.055   1.145
  138   2HB   LEU  19          2HB       LEU  19   5.483  -0.610  -0.085
  139    HG   LEU  19           HG       LEU  19   3.008  -2.290  -0.422
  140   1HD1  LEU  19          1HD1      LEU  19   3.919   0.391  -1.385
  141   2HD1  LEU  19          2HD1      LEU  19   2.630  -0.500  -2.194
  142   3HD1  LEU  19          3HD1      LEU  19   2.450  -0.027  -0.504
  143   1HD2  LEU  19          1HD2      LEU  19   4.987  -3.200  -1.683
  144   2HD2  LEU  19          2HD2      LEU  19   3.598  -2.730  -2.663
  145   3HD2  LEU  19          3HD2      LEU  19   5.010  -1.678  -2.573
  146    H    GLU  20           H        GLU  20   4.877  -2.310   3.032
  147    HA   GLU  20           HA       GLU  20   7.003  -0.825   4.102
  148   1HB   GLU  20          1HB       GLU  20   5.058  -2.552   5.631
  149   2HB   GLU  20          2HB       GLU  20   5.981  -1.189   6.259
  150   1HG   GLU  20          1HG       GLU  20   4.674  -0.054   4.155
  151   2HG   GLU  20          2HG       GLU  20   3.496  -1.235   4.721
  152    H    GLN  21           H        GLN  21   6.496  -4.287   3.845
  153    HA   GLN  21           HA       GLN  21   8.547  -5.081   5.643
  154   1HB   GLN  21          1HB       GLN  21   7.246  -6.473   3.300
  155   2HB   GLN  21          2HB       GLN  21   8.514  -7.228   4.253
  156   1HG   GLN  21          1HG       GLN  21   7.155  -7.104   6.238
  157   2HG   GLN  21          2HG       GLN  21   5.901  -6.232   5.358
  158   1HE2  GLN  21          1HE2      GLN  21   4.290  -9.132   4.439
  159   2HE2  GLN  21          2HE2      GLN  21   4.254  -7.443   4.827
  160    H    GLU  22           H        GLU  22   8.434  -4.385   2.191
  161    HA   GLU  22           HA       GLU  22  11.133  -5.044   1.614
  162   1HB   GLU  22          1HB       GLU  22   9.237  -4.825  -0.040
  163   2HB   GLU  22          2HB       GLU  22   9.348  -3.082   0.161
  164   1HG   GLU  22          1HG       GLU  22  10.502  -3.757  -1.826
  165   2HG   GLU  22          2HG       GLU  22  11.658  -3.150  -0.645
  166    H    VAL  23           H        VAL  23   9.434  -2.024   2.350
  167    HA   VAL  23           HA       VAL  23  11.568  -0.240   2.122
  168    HB   VAL  23           HB       VAL  23   9.132  -0.171   3.902
  169   1HG1  VAL  23          1HG1      VAL  23  11.228   1.943   3.487
  170   2HG1  VAL  23          2HG1      VAL  23   9.613   2.282   4.110
  171   3HG1  VAL  23          3HG1      VAL  23  10.698   1.222   5.006
  172   1HG2  VAL  23          1HG2      VAL  23   8.670  -0.083   1.514
  173   2HG2  VAL  23          2HG2      VAL  23   8.323   1.471   2.269
  174   3HG2  VAL  23          3HG2      VAL  23   9.802   1.258   1.333
  175    H    ALA  24           H        ALA  24  10.384  -2.014   4.966
  176    HA   ALA  24           HA       ALA  24  12.257  -1.053   6.805
  177   1HB   ALA  24          1HB       ALA  24  10.322  -3.215   6.697
  178   2HB   ALA  24          2HB       ALA  24  11.760  -3.643   7.624
  179   3HB   ALA  24          3HB       ALA  24  10.824  -2.213   8.059
  180    H    GLN  25           H        GLN  25  12.388  -3.824   4.607
  181    HA   GLN  25           HA       GLN  25  14.852  -4.856   5.526
  182   1HB   GLN  25          1HB       GLN  25  13.236  -6.118   4.119
  183   2HB   GLN  25          2HB       GLN  25  13.649  -5.083   2.759
  184   1HG   GLN  25          1HG       GLN  25  14.850  -7.098   2.489
  185   2HG   GLN  25          2HG       GLN  25  16.011  -5.869   2.986
  186   1HE2  GLN  25          1HE2      GLN  25  15.036  -8.079   6.215
  187   2HE2  GLN  25          2HE2      GLN  25  13.895  -7.045   5.426
  188    H    LEU  26           H        LEU  26  14.061  -2.679   2.816
  189    HA   LEU  26           HA       LEU  26  16.701  -2.377   1.912
  190   1HB   LEU  26          1HB       LEU  26  14.419  -0.413   1.671
  191   2HB   LEU  26          2HB       LEU  26  15.904  -0.381   0.741
  192    HG   LEU  26           HG       LEU  26  13.797  -2.542   0.627
  193   1HD1  LEU  26          1HD1      LEU  26  14.289  -0.100  -0.913
  194   2HD1  LEU  26          2HD1      LEU  26  14.082  -1.555  -1.887
  195   3HD1  LEU  26          3HD1      LEU  26  12.824  -1.069  -0.752
  196   1HD2  LEU  26          1HD2      LEU  26  16.549  -2.706   0.050
  197   2HD2  LEU  26          2HD2      LEU  26  15.288  -3.885  -0.307
  198   3HD2  LEU  26          3HD2      LEU  26  15.703  -2.649  -1.496
  199    H    GLU  27           H        GLU  27  14.836  -0.413   4.225
  200    HA   GLU  27           HA       GLU  27  16.884   1.497   4.656
  201   1HB   GLU  27          1HB       GLU  27  14.480   0.644   6.240
  202   2HB   GLU  27          2HB       GLU  27  15.610   1.829   6.879
  203   1HG   GLU  27          1HG       GLU  27  14.207   2.119   4.232
  204   2HG   GLU  27          2HG       GLU  27  13.599   2.775   5.752
  205    H    HIS  28           H        HIS  28  16.022  -1.498   6.298
  206    HA   HIS  28           HA       HIS  28  17.890  -1.322   8.399
  207   1HB   HIS  28          1HB       HIS  28  15.961  -2.808   8.486
  208   2HB   HIS  28          2HB       HIS  28  16.573  -3.727   7.120
  209    HD1  HIS  28           HD1      HIS  28  17.992  -2.810  10.576
  210    HD2  HIS  28           HD2      HIS  28  17.573  -6.015   7.958
  211    HE1  HIS  28           HE1      HIS  28  19.068  -4.800  11.709
  212    H    GLU  29           H        GLU  29  18.066  -2.897   5.212
  213    HA   GLU  29           HA       GLU  29  20.722  -3.883   5.633
  214   1HB   GLU  29          1HB       GLU  29  18.963  -3.649   3.203
  215   2HB   GLU  29          2HB       GLU  29  20.612  -4.257   3.109
  216   1HG   GLU  29          1HG       GLU  29  18.452  -5.435   4.844
  217   2HG   GLU  29          2HG       GLU  29  18.899  -6.032   3.246
  218    H    CYS  30           H        CYS  30  19.391  -0.901   4.547
  219    HA   CYS  30           HA       CYS  30  21.740  -0.012   3.147
  220   1HB   CYS  30          1HB       CYS  30  19.521   0.827   2.546
  221   2HB   CYS  30          2HB       CYS  30  19.337   1.530   4.149
  222    H    GLY  31           H        GLY  31  20.610   0.034   6.415
  223   1HA   GLY  31          1HA       GLY  31  22.944   1.691   7.148
  224   2HA   GLY  31          2HA       GLY  31  21.405   1.804   7.987
  225   1HN   NH2  32          1HN       NH2  32  23.883  -0.575   7.119
  226   2HN   NH2  32          2HN       NH2  32  23.785  -1.471   8.602
  227   1H    ACE   0          1H        ACE   0 -19.837  -2.847   5.149
  228   2H    ACE   0          2H        ACE   0 -20.419  -2.141   6.661
  229   3H    ACE   0          3H        ACE   0 -18.785  -1.787   6.091
  230    H    GLU   1           H        GLU   1 -18.989   0.419   5.907
  231    HA   GLU   1           HA       GLU   1 -21.183   1.477   4.320
  232   1HB   GLU   1          1HB       GLU   1 -20.742   2.720   6.311
  233   2HB   GLU   1          2HB       GLU   1 -19.027   2.819   5.942
  234   1HG   GLU   1          1HG       GLU   1 -20.186   4.932   5.547
  235   2HG   GLU   1          2HG       GLU   1 -19.465   4.284   4.077
  236    H    VAL   2           H        VAL   2 -21.036   1.967   2.265
  237    HA   VAL   2           HA       VAL   2 -18.846   1.316   0.671
  238    HB   VAL   2           HB       VAL   2 -21.242   3.073   0.129
  239   1HG1  VAL   2          1HG1      VAL   2 -19.298   3.803  -1.254
  240   2HG1  VAL   2          2HG1      VAL   2 -19.229   2.172  -1.921
  241   3HG1  VAL   2          3HG1      VAL   2 -20.655   3.176  -2.190
  242   1HG2  VAL   2          1HG2      VAL   2 -20.468   0.243  -0.478
  243   2HG2  VAL   2          2HG2      VAL   2 -21.953   0.862   0.242
  244   3HG2  VAL   2          3HG2      VAL   2 -21.649   1.082  -1.483
  245    H    GLN   3           H        GLN   3 -19.963   4.545   1.729
  246    HA   GLN   3           HA       GLN   3 -17.892   6.014   0.546
  247   1HB   GLN   3          1HB       GLN   3 -19.902   7.076   1.436
  248   2HB   GLN   3          2HB       GLN   3 -19.457   6.595   3.066
  249   1HG   GLN   3          1HG       GLN   3 -17.454   8.003   2.923
  250   2HG   GLN   3          2HG       GLN   3 -17.945   8.508   1.307
  251   1HE2  GLN   3          1HE2      GLN   3 -19.305  10.432   4.490
  252   2HE2  GLN   3          2HE2      GLN   3 -17.986   9.302   4.491
  253    H    ALA   4           H        ALA   4 -18.140   4.500   3.718
  254    HA   ALA   4           HA       ALA   4 -15.783   5.404   4.887
  255   1HB   ALA   4          1HB       ALA   4 -17.530   3.016   5.238
  256   2HB   ALA   4          2HB       ALA   4 -15.972   3.058   6.065
  257   3HB   ALA   4          3HB       ALA   4 -17.167   4.321   6.367
  258    H    LEU   5           H        LEU   5 -16.380   2.598   2.818
  259    HA   LEU   5           HA       LEU   5 -13.733   1.594   2.971
  260   1HB   LEU   5          1HB       LEU   5 -15.898   1.105   0.928
  261   2HB   LEU   5          2HB       LEU   5 -14.409   0.187   1.054
  262    HG   LEU   5           HG       LEU   5 -16.544   0.333   3.185
  263   1HD1  LEU   5          1HD1      LEU   5 -16.936  -0.930   0.931
  264   2HD1  LEU   5          2HD1      LEU   5 -15.857  -2.127   1.652
  265   3HD1  LEU   5          3HD1      LEU   5 -17.357  -1.687   2.467
  266   1HD2  LEU   5          1HD2      LEU   5 -13.872  -0.998   3.021
  267   2HD2  LEU   5          2HD2      LEU   5 -14.595  -0.092   4.351
  268   3HD2  LEU   5          3HD2      LEU   5 -15.166  -1.718   3.976
  269    H    LYS   6           H        LYS   6 -15.357   3.854   0.801
  270    HA   LYS   6           HA       LYS   6 -13.366   3.908  -1.207
  271   1HB   LYS   6          1HB       LYS   6 -15.298   6.062  -0.318
  272   2HB   LYS   6          2HB       LYS   6 -14.329   6.134  -1.782
  273   1HG   LYS   6          1HG       LYS   6 -15.459   4.165  -2.649
  274   2HG   LYS   6          2HG       LYS   6 -16.400   4.039  -1.163
  275   1HD   LYS   6          1HD       LYS   6 -17.799   5.071  -2.783
  276   2HD   LYS   6          2HD       LYS   6 -17.295   6.335  -1.658
  277   1HE   LYS   6          1HE       LYS   6 -15.653   7.143  -3.214
  278   2HE   LYS   6          2HE       LYS   6 -15.952   5.785  -4.298
  279   1HZ   LYS   6          1HZ       LYS   6 -18.322   6.681  -4.397
  280   2HZ   LYS   6          2HZ       LYS   6 -17.694   8.108  -3.734
  281   3HZ   LYS   6          3HZ       LYS   6 -17.120   7.545  -5.230
  282    H    LYS   7           H        LYS   7 -13.811   5.700   1.792
  283    HA   LYS   7           HA       LYS   7 -11.558   7.403   1.412
  284   1HB   LYS   7          1HB       LYS   7 -12.703   6.636   4.100
  285   2HB   LYS   7          2HB       LYS   7 -11.867   8.117   3.659
  286   1HG   LYS   7          1HG       LYS   7 -14.669   7.283   3.020
  287   2HG   LYS   7          2HG       LYS   7 -14.106   8.735   3.844
  288   1HD   LYS   7          1HD       LYS   7 -13.668   8.101   0.928
  289   2HD   LYS   7          2HD       LYS   7 -14.908   9.184   1.557
  290   1HE   LYS   7          1HE       LYS   7 -11.939   9.555   1.925
  291   2HE   LYS   7          2HE       LYS   7 -12.918  10.380   0.714
  292   1HZ   LYS   7          1HZ       LYS   7 -14.235  10.844   3.053
  293   2HZ   LYS   7          2HZ       LYS   7 -12.601  10.954   3.498
  294   3HZ   LYS   7          3HZ       LYS   7 -13.209  11.933   2.255
  295    H    ARG   8           H        ARG   8 -12.098   4.259   2.855
  296    HA   ARG   8           HA       ARG   8  -9.603   3.896   4.119
  297   1HB   ARG   8          1HB       ARG   8 -11.549   2.428   4.507
  298   2HB   ARG   8          2HB       ARG   8 -11.447   1.852   2.850
  299   1HG   ARG   8          1HG       ARG   8 -10.447   0.157   4.048
  300   2HG   ARG   8          2HG       ARG   8  -9.066   1.103   3.500
  301   1HD   ARG   8          1HD       ARG   8  -8.934   2.199   5.662
  302   2HD   ARG   8          2HD       ARG   8 -10.363   1.325   6.213
  303    HE   ARG   8           HE       ARG   8  -8.321  -0.456   5.341
  304   1HH1  ARG   8          1HH1      ARG   8  -9.317   1.549   8.022
  305   2HH1  ARG   8          2HH1      ARG   8  -8.442   0.633   9.202
  306   1HH2  ARG   8          1HH2      ARG   8  -7.133  -1.667   6.887
  307   2HH2  ARG   8          2HH2      ARG   8  -7.199  -1.191   8.562
  308    H    VAL   9           H        VAL   9 -10.803   3.168   0.883
  309    HA   VAL   9           HA       VAL   9  -8.519   1.936  -0.160
  310    HB   VAL   9           HB       VAL   9 -10.652   3.561  -1.566
  311   1HG1  VAL   9          1HG1      VAL   9  -8.552   3.479  -2.876
  312   2HG1  VAL   9          2HG1      VAL   9  -8.608   1.720  -2.805
  313   3HG1  VAL   9          3HG1      VAL   9  -9.877   2.610  -3.650
  314   1HG2  VAL   9          1HG2      VAL   9 -10.845   1.113  -0.346
  315   2HG2  VAL   9          2HG2      VAL   9 -11.897   1.703  -1.634
  316   3HG2  VAL   9          3HG2      VAL   9 -10.512   0.682  -2.024
  317    H    GLN  10           H        GLN  10  -9.587   5.325  -0.412
  318    HA   GLN  10           HA       GLN  10  -7.378   6.319  -1.783
  319   1HB   GLN  10          1HB       GLN  10  -9.237   7.681   0.159
  320   2HB   GLN  10          2HB       GLN  10  -8.047   8.535  -0.817
  321   1HG   GLN  10          1HG       GLN  10 -10.306   6.855  -1.879
  322   2HG   GLN  10          2HG       GLN  10 -10.276   8.614  -1.813
  323   1HE2  GLN  10          1HE2      GLN  10  -8.821   6.770  -4.995
  324   2HE2  GLN  10          2HE2      GLN  10  -9.893   6.082  -3.823
  325    H    ALA  11           H        ALA  11  -7.851   5.900   1.698
  326    HA   ALA  11           HA       ALA  11  -5.509   7.284   2.500
  327   1HB   ALA  11          1HB       ALA  11  -7.655   6.187   3.800
  328   2HB   ALA  11          2HB       ALA  11  -6.348   5.090   4.244
  329   3HB   ALA  11          3HB       ALA  11  -6.204   6.815   4.583
  330    H    LEU  12           H        LEU  12  -6.206   3.937   1.685
  331    HA   LEU  12           HA       LEU  12  -3.652   2.919   2.404
  332   1HB   LEU  12          1HB       LEU  12  -5.918   1.876   0.743
  333   2HB   LEU  12          2HB       LEU  12  -4.397   1.013   0.829
  334    HG   LEU  12           HG       LEU  12  -5.979   1.732   3.289
  335   1HD1  LEU  12          1HD1      LEU  12  -6.756  -0.075   1.271
  336   2HD1  LEU  12          2HD1      LEU  12  -6.127  -1.047   2.601
  337   3HD1  LEU  12          3HD1      LEU  12  -7.437   0.101   2.887
  338   1HD2  LEU  12          1HD2      LEU  12  -3.407   0.747   2.898
  339   2HD2  LEU  12          2HD2      LEU  12  -4.333   0.715   4.398
  340   3HD2  LEU  12          3HD2      LEU  12  -4.370  -0.671   3.310
  341    H    LYS  13           H        LYS  13  -5.142   3.752  -0.729
  342    HA   LYS  13           HA       LYS  13  -2.949   3.113  -2.341
  343   1HB   LYS  13          1HB       LYS  13  -4.908   5.371  -2.816
  344   2HB   LYS  13          2HB       LYS  13  -3.912   4.579  -4.026
  345   1HG   LYS  13          1HG       LYS  13  -6.300   3.507  -2.568
  346   2HG   LYS  13          2HG       LYS  13  -6.056   3.700  -4.304
  347   1HD   LYS  13          1HD       LYS  13  -4.128   1.996  -3.974
  348   2HD   LYS  13          2HD       LYS  13  -4.938   1.629  -2.451
  349   1HE   LYS  13          1HE       LYS  13  -7.017   1.164  -3.657
  350   2HE   LYS  13          2HE       LYS  13  -6.207   1.511  -5.182
  351   1HZ   LYS  13          1HZ       LYS  13  -4.652  -0.344  -4.615
  352   2HZ   LYS  13          2HZ       LYS  13  -5.687  -0.743  -3.335
  353   3HZ   LYS  13          3HZ       LYS  13  -6.254  -0.817  -4.928
  354    H    ALA  14           H        ALA  14  -3.697   6.087  -0.570
  355    HA   ALA  14           HA       ALA  14  -1.611   7.653  -1.665
  356   1HB   ALA  14          1HB       ALA  14  -3.662   8.320  -0.176
  357   2HB   ALA  14          2HB       ALA  14  -2.526   8.061   1.147
  358   3HB   ALA  14          3HB       ALA  14  -2.167   9.254  -0.100
  359    H    ARG  15           H        ARG  15  -1.706   5.258   0.865
  360    HA   ARG  15           HA       ARG  15   0.965   5.888   1.838
  361   1HB   ARG  15          1HB       ARG  15  -0.768   5.075   3.372
  362   2HB   ARG  15          2HB       ARG  15  -0.870   3.576   2.459
  363   1HG   ARG  15          1HG       ARG  15   1.041   2.748   3.341
  364   2HG   ARG  15          2HG       ARG  15   1.802   4.340   3.453
  365   1HD   ARG  15          1HD       ARG  15   0.569   4.900   5.370
  366   2HD   ARG  15          2HD       ARG  15  -0.495   3.504   5.197
  367    HE   ARG  15           HE       ARG  15   2.108   2.536   5.493
  368   1HH1  ARG  15          1HH1      ARG  15  -0.233   4.356   7.359
  369   2HH1  ARG  15          2HH1      ARG  15   0.320   3.732   8.886
  370   1HH2  ARG  15          1HH2      ARG  15   2.767   1.640   7.491
  371   2HH2  ARG  15          2HH2      ARG  15   1.981   2.150   8.962
  372    H    ASN  16           H        ASN  16  -0.689   3.458  -0.061
  373    HA   ASN  16           HA       ASN  16   1.426   1.689  -0.507
  374   1HB   ASN  16          1HB       ASN  16  -1.148   2.333  -1.893
  375   2HB   ASN  16          2HB       ASN  16  -0.006   1.267  -2.684
  376   1HD2  ASN  16          1HD2      ASN  16  -1.231  -1.461  -0.974
  377   2HD2  ASN  16          2HD2      ASN  16  -0.607  -0.765  -2.428
  378    H    TYR  17           H        TYR  17   0.256   4.466  -2.359
  379    HA   TYR  17           HA       TYR  17   2.053   4.301  -4.491
  380   1HB   TYR  17          1HB       TYR  17  -0.040   5.815  -4.144
  381   2HB   TYR  17          2HB       TYR  17   1.096   6.930  -3.392
  382    HD1  TYR  17           HD1      TYR  17   0.844   4.864  -6.499
  383    HD2  TYR  17           HD2      TYR  17   2.013   8.559  -4.747
  384    HE1  TYR  17           HE1      TYR  17   1.476   5.708  -8.717
  385    HE2  TYR  17           HE2      TYR  17   2.646   9.413  -6.966
  386    HH   TYR  17           HH       TYR  17   2.003   8.928  -9.372
  387    H    ALA  18           H        ALA  18   2.257   6.148  -1.455
  388    HA   ALA  18           HA       ALA  18   4.767   7.315  -1.949
  389   1HB   ALA  18          1HB       ALA  18   2.868   7.584  -0.025
  390   2HB   ALA  18          2HB       ALA  18   4.147   6.754   0.860
  391   3HB   ALA  18          3HB       ALA  18   4.486   8.285   0.053
  392    H    ALA  19           H        ALA  19   3.867   4.331  -0.257
  393    HA   ALA  19           HA       ALA  19   6.463   3.648   0.607
  394   1HB   ALA  19          1HB       ALA  19   3.867   2.280   0.374
  395   2HB   ALA  19          2HB       ALA  19   5.280   1.227   0.340
  396   3HB   ALA  19          3HB       ALA  19   5.019   2.309   1.708
  397    H    LYS  20           H        LYS  20   4.722   2.987  -2.406
  398    HA   LYS  20           HA       LYS  20   6.645   1.207  -3.473
  399   1HB   LYS  20          1HB       LYS  20   4.533   2.919  -4.784
  400   2HB   LYS  20          2HB       LYS  20   5.571   1.824  -5.693
  401   1HG   LYS  20          1HG       LYS  20   4.724  -0.071  -4.514
  402   2HG   LYS  20          2HG       LYS  20   3.832   0.962  -3.397
  403   1HD   LYS  20          1HD       LYS  20   2.488   1.775  -5.336
  404   2HD   LYS  20          2HD       LYS  20   3.307   0.573  -6.341
  405   1HE   LYS  20          1HE       LYS  20   2.497  -1.202  -4.828
  406   2HE   LYS  20          2HE       LYS  20   1.633   0.017  -3.890
  407   1HZ   LYS  20          1HZ       LYS  20   1.151  -0.458  -6.778
  408   2HZ   LYS  20          2HZ       LYS  20   0.274  -1.231  -5.548
  409   3HZ   LYS  20          3HZ       LYS  20   0.207   0.455  -5.706
  410    H    GLN  21           H        GLN  21   6.420   4.702  -3.380
  411    HA   GLN  21           HA       GLN  21   8.539   5.122  -5.293
  412   1HB   GLN  21          1HB       GLN  21   7.656   7.064  -3.146
  413   2HB   GLN  21          2HB       GLN  21   8.485   7.438  -4.649
  414   1HG   GLN  21          1HG       GLN  21   5.634   6.578  -4.275
  415   2HG   GLN  21          2HG       GLN  21   6.228   8.121  -4.878
  416   1HE2  GLN  21          1HE2      GLN  21   5.340   5.224  -7.403
  417   2HE2  GLN  21          2HE2      GLN  21   4.851   5.311  -5.746
  418    H    LYS  22           H        LYS  22   8.184   4.787  -1.839
  419    HA   LYS  22           HA       LYS  22  10.831   5.436  -1.115
  420   1HB   LYS  22          1HB       LYS  22   8.715   3.755   0.212
  421   2HB   LYS  22          2HB       LYS  22  10.311   3.950   0.912
  422   1HG   LYS  22          1HG       LYS  22   9.893   6.453   0.783
  423   2HG   LYS  22          2HG       LYS  22   8.208   6.037   0.458
  424   1HD   LYS  22          1HD       LYS  22   8.438   6.428   2.812
  425   2HD   LYS  22          2HD       LYS  22   8.210   4.697   2.565
  426   1HE   LYS  22          1HE       LYS  22   9.937   4.996   4.195
  427   2HE   LYS  22          2HE       LYS  22  10.682   4.418   2.704
  428   1HZ   LYS  22          1HZ       LYS  22  11.306   6.717   2.193
  429   2HZ   LYS  22          2HZ       LYS  22  10.641   7.233   3.667
  430   3HZ   LYS  22          3HZ       LYS  22  11.981   6.198   3.659
  431    H    VAL  23           H        VAL  23   9.251   2.357  -1.939
  432    HA   VAL  23           HA       VAL  23  11.381   0.631  -1.477
  433    HB   VAL  23           HB       VAL  23   9.360   0.450  -3.726
  434   1HG1  VAL  23          1HG1      VAL  23  11.361  -1.500  -2.640
  435   2HG1  VAL  23          2HG1      VAL  23   9.876  -2.055  -3.414
  436   3HG1  VAL  23          3HG1      VAL  23  11.024  -1.065  -4.315
  437   1HG2  VAL  23          1HG2      VAL  23   8.444   0.578  -1.372
  438   2HG2  VAL  23          2HG2      VAL  23   8.000  -0.859  -2.291
  439   3HG2  VAL  23          3HG2      VAL  23   9.265  -0.952  -1.062
  440    H    GLN  24           H        GLN  24  10.552   2.357  -4.477
  441    HA   GLN  24           HA       GLN  24  12.766   1.504  -5.985
  442   1HB   GLN  24          1HB       GLN  24  11.204   4.086  -6.217
  443   2HB   GLN  24          2HB       GLN  24  12.259   3.413  -7.452
  444   1HG   GLN  24          1HG       GLN  24  10.795   1.570  -7.802
  445   2HG   GLN  24          2HG       GLN  24   9.814   2.011  -6.404
  446   1HE2  GLN  24          1HE2      GLN  24   7.666   3.919  -8.293
  447   2HE2  GLN  24          2HE2      GLN  24   7.972   2.912  -6.919
  448    H    ALA  25           H        ALA  25  12.249   4.299  -3.913
  449    HA   ALA  25           HA       ALA  25  14.701   5.598  -4.474
  450   1HB   ALA  25          1HB       ALA  25  12.922   5.800  -2.047
  451   2HB   ALA  25          2HB       ALA  25  14.246   6.899  -2.433
  452   3HB   ALA  25          3HB       ALA  25  12.844   6.801  -3.498
  453    H    LEU  26           H        LEU  26  13.727   3.505  -1.775
  454    HA   LEU  26           HA       LEU  26  16.191   3.541  -0.421
  455   1HB   LEU  26          1HB       LEU  26  14.145   1.327  -0.465
  456   2HB   LEU  26          2HB       LEU  26  15.384   1.567   0.747
  457    HG   LEU  26           HG       LEU  26  13.091   3.454   0.228
  458   1HD1  LEU  26          1HD1      LEU  26  12.655   1.112   1.231
  459   2HD1  LEU  26          2HD1      LEU  26  13.425   1.773   2.675
  460   3HD1  LEU  26          3HD1      LEU  26  11.974   2.533   2.018
  461   1HD2  LEU  26          1HD2      LEU  26  15.550   3.675   1.737
  462   2HD2  LEU  26          2HD2      LEU  26  14.354   4.911   1.337
  463   3HD2  LEU  26          3HD2      LEU  26  14.126   3.883   2.752
  464    H    ARG  27           H        ARG  27  14.925   1.430  -2.955
  465    HA   ARG  27           HA       ARG  27  17.041  -0.444  -2.886
  466   1HB   ARG  27          1HB       ARG  27  14.630  -0.177  -4.213
  467   2HB   ARG  27          2HB       ARG  27  15.818  -0.044  -5.502
  468   1HG   ARG  27          1HG       ARG  27  16.588  -2.186  -5.199
  469   2HG   ARG  27          2HG       ARG  27  16.044  -2.257  -3.521
  470   1HD   ARG  27          1HD       ARG  27  13.807  -2.562  -4.144
  471   2HD   ARG  27          2HD       ARG  27  14.111  -2.053  -5.799
  472    HE   ARG  27           HE       ARG  27  14.704  -4.201  -6.304
  473   1HH1  ARG  27          1HH1      ARG  27  14.722  -3.848  -2.816
  474   2HH1  ARG  27          2HH1      ARG  27  15.164  -5.496  -2.522
  475   1HH2  ARG  27          1HH2      ARG  27  15.291  -6.385  -5.907
  476   2HH2  ARG  27          2HH2      ARG  27  15.503  -6.931  -4.263
  477    H    HIS  28           H        HIS  28  16.560   2.616  -4.472
  478    HA   HIS  28           HA       HIS  28  18.886   2.478  -6.163
  479   1HB   HIS  28          1HB       HIS  28  16.858   3.861  -6.652
  480   2HB   HIS  28          2HB       HIS  28  17.262   4.863  -5.266
  481    HD1  HIS  28           HD1      HIS  28  19.211   3.716  -8.358
  482    HD2  HIS  28           HD2      HIS  28  18.405   7.105  -6.090
  483    HE1  HIS  28           HE1      HIS  28  20.439   5.632  -9.471
  484    H    LYS  29           H        LYS  29  17.977   3.913  -3.118
  485    HA   LYS  29           HA       LYS  29  20.271   5.374  -2.491
  486   1HB   LYS  29          1HB       LYS  29  18.236   5.730  -1.327
  487   2HB   LYS  29          2HB       LYS  29  18.118   4.046  -0.863
  488   1HG   LYS  29          1HG       LYS  29  20.083   4.378   0.620
  489   2HG   LYS  29          2HG       LYS  29  20.025   6.100   0.222
  490   1HD   LYS  29          1HD       LYS  29  17.754   6.245   1.067
  491   2HD   LYS  29          2HD       LYS  29  17.748   4.519   1.410
  492   1HE   LYS  29          1HE       LYS  29  19.548   4.853   3.044
  493   2HE   LYS  29          2HE       LYS  29  19.519   6.583   2.709
  494   1HZ   LYS  29          1HZ       LYS  29  17.116   6.512   3.394
  495   2HZ   LYS  29          2HZ       LYS  29  17.390   4.940   3.965
  496   3HZ   LYS  29          3HZ       LYS  29  18.235   6.247   4.638
  497    H    CYS  30           H        CYS  30  19.377   2.040  -1.759
  498    HA   CYS  30           HA       CYS  30  22.188   1.346  -1.450
  499   1HB   CYS  30          1HB       CYS  30  20.133   0.981   0.729
  500   2HB   CYS  30          2HB       CYS  30  21.595   0.007   0.651
  501    H    GLY  31           H        GLY  31  19.023  -0.169  -0.773
  502   1HA   GLY  31          1HA       GLY  31  17.972  -1.856  -2.010
  503   2HA   GLY  31          2HA       GLY  31  19.422  -2.013  -2.992
  504   1HN   NH2  32          1HN       NH2  32  19.427  -4.239  -2.786
  505   2HN   NH2  32          2HN       NH2  32  19.882  -5.033  -1.312
  Start of MODEL    4
    1   1H    ACE   0          1H        ACE   0 -19.656  -0.053  -6.174
    2   2H    ACE   0          2H        ACE   0 -18.104  -0.456  -5.430
    3   3H    ACE   0          3H        ACE   0 -18.837   1.126  -5.142
    4    H    GLU   1           H        GLU   1 -19.479  -2.348  -4.723
    5    HA   GLU   1           HA       GLU   1 -21.350  -1.823  -2.582
    6   1HB   GLU   1          1HB       GLU   1 -21.662  -3.669  -4.243
    7   2HB   GLU   1          2HB       GLU   1 -20.262  -4.473  -3.546
    8   1HG   GLU   1          1HG       GLU   1 -22.366  -5.398  -2.721
    9   2HG   GLU   1          2HG       GLU   1 -21.395  -4.693  -1.429
   10    H    VAL   2           H        VAL   2 -21.086  -2.874  -0.454
   11    HA   VAL   2           HA       VAL   2 -18.768  -2.092   0.861
   12    HB   VAL   2           HB       VAL   2 -20.525  -4.365   1.778
   13   1HG1  VAL   2          1HG1      VAL   2 -18.587  -2.515   3.083
   14   2HG1  VAL   2          2HG1      VAL   2 -19.955  -3.125   4.014
   15   3HG1  VAL   2          3HG1      VAL   2 -18.806  -4.252   3.295
   16   1HG2  VAL   2          1HG2      VAL   2 -21.017  -1.401   1.848
   17   2HG2  VAL   2          2HG2      VAL   2 -22.072  -2.678   1.244
   18   3HG2  VAL   2          3HG2      VAL   2 -21.794  -2.512   2.977
   19    H    ALA   3           H        ALA   3 -19.693  -5.378  -0.162
   20    HA   ALA   3           HA       ALA   3 -17.397  -6.718   0.692
   21   1HB   ALA   3          1HB       ALA   3 -19.264  -7.331  -1.592
   22   2HB   ALA   3          2HB       ALA   3 -18.014  -8.432  -1.008
   23   3HB   ALA   3          3HB       ALA   3 -19.337  -7.954   0.057
   24    H    GLN   4           H        GLN   4 -17.993  -4.883  -2.228
   25    HA   GLN   4           HA       GLN   4 -15.651  -5.716  -3.634
   26   1HB   GLN   4          1HB       GLN   4 -17.281  -3.195  -3.950
   27   2HB   GLN   4          2HB       GLN   4 -16.136  -3.835  -5.118
   28   1HG   GLN   4          1HG       GLN   4 -18.753  -5.073  -4.287
   29   2HG   GLN   4          2HG       GLN   4 -18.373  -4.333  -5.840
   30   1HE2  GLN   4          1HE2      GLN   4 -17.279  -7.297  -7.212
   31   2HE2  GLN   4          2HE2      GLN   4 -17.896  -5.689  -7.411
   32    H    LEU   5           H        LEU   5 -16.486  -2.983  -1.585
   33    HA   LEU   5           HA       LEU   5 -13.984  -1.669  -1.870
   34   1HB   LEU   5          1HB       LEU   5 -16.250  -1.472   0.087
   35   2HB   LEU   5          2HB       LEU   5 -14.790  -0.512   0.281
   36    HG   LEU   5           HG       LEU   5 -16.558  -0.450  -2.168
   37   1HD1  LEU   5          1HD1      LEU   5 -16.507   1.258   0.297
   38   2HD1  LEU   5          2HD1      LEU   5 -17.138   1.845  -1.242
   39   3HD1  LEU   5          3HD1      LEU   5 -17.878   0.448  -0.457
   40   1HD2  LEU   5          1HD2      LEU   5 -13.934   0.335  -1.868
   41   2HD2  LEU   5          2HD2      LEU   5 -15.057   0.925  -3.093
   42   3HD2  LEU   5          3HD2      LEU   5 -14.834   1.829  -1.596
   43    H    GLU   6           H        GLU   6 -15.301  -4.089   0.284
   44    HA   GLU   6           HA       GLU   6 -13.270  -4.109   2.234
   45   1HB   GLU   6          1HB       GLU   6 -15.324  -6.070   1.293
   46   2HB   GLU   6          2HB       GLU   6 -14.050  -6.627   2.368
   47   1HG   GLU   6          1HG       GLU   6 -15.817  -4.280   2.998
   48   2HG   GLU   6          2HG       GLU   6 -16.204  -5.938   3.464
   49    H    LYS   7           H        LYS   7 -13.568  -5.796  -0.888
   50    HA   LYS   7           HA       LYS   7 -11.180  -7.314  -0.515
   51   1HB   LYS   7          1HB       LYS   7 -11.473  -8.088  -2.725
   52   2HB   LYS   7          2HB       LYS   7 -13.095  -7.924  -2.056
   53   1HG   LYS   7          1HG       LYS   7 -13.498  -5.962  -3.235
   54   2HG   LYS   7          2HG       LYS   7 -11.790  -5.761  -3.586
   55   1HD   LYS   7          1HD       LYS   7 -12.879  -6.483  -5.601
   56   2HD   LYS   7          2HD       LYS   7 -11.921  -7.834  -4.988
   57   1HE   LYS   7          1HE       LYS   7 -13.882  -8.871  -4.061
   58   2HE   LYS   7          2HE       LYS   7 -14.869  -7.469  -4.474
   59   1HZ   LYS   7          1HZ       LYS   7 -14.242  -7.946  -6.852
   60   2HZ   LYS   7          2HZ       LYS   7 -13.640  -9.439  -6.313
   61   3HZ   LYS   7          3HZ       LYS   7 -15.282  -9.070  -6.120
   62    H    GLU   8           H        GLU   8 -11.952  -4.165  -1.623
   63    HA   GLU   8           HA       GLU   8  -9.478  -3.643  -2.983
   64   1HB   GLU   8          1HB       GLU   8 -11.572  -2.460  -3.525
   65   2HB   GLU   8          2HB       GLU   8 -11.626  -1.795  -1.901
   66   1HG   GLU   8          1HG       GLU   8 -10.868  -0.107  -3.363
   67   2HG   GLU   8          2HG       GLU   8  -9.493  -0.617  -2.386
   68    H    VAL   9           H        VAL   9 -10.882  -2.970   0.192
   69    HA   VAL   9           HA       VAL   9  -8.719  -1.484   1.239
   70    HB   VAL   9           HB       VAL   9 -10.838  -3.132   2.652
   71   1HG1  VAL   9          1HG1      VAL   9  -8.440  -2.238   3.746
   72   2HG1  VAL   9          2HG1      VAL   9  -9.629  -1.029   4.234
   73   3HG1  VAL   9          3HG1      VAL   9  -9.887  -2.729   4.628
   74   1HG2  VAL   9          1HG2      VAL   9 -11.071  -0.749   1.284
   75   2HG2  VAL   9          2HG2      VAL   9 -12.178  -1.347   2.520
   76   3HG2  VAL   9          3HG2      VAL   9 -10.881  -0.236   2.960
   77    H    ALA  10           H        ALA  10  -9.554  -4.910   1.273
   78    HA   ALA  10           HA       ALA  10  -7.345  -5.771   2.830
   79   1HB   ALA  10          1HB       ALA  10  -9.488  -7.042   2.389
   80   2HB   ALA  10          2HB       ALA  10  -8.821  -7.438   0.806
   81   3HB   ALA  10          3HB       ALA  10  -7.997  -7.977   2.271
   82    H    GLN  11           H        GLN  11  -7.775  -5.002  -0.522
   83    HA   GLN  11           HA       GLN  11  -5.548  -6.376  -1.607
   84   1HB   GLN  11          1HB       GLN  11  -7.447  -5.400  -2.937
   85   2HB   GLN  11          2HB       GLN  11  -6.828  -3.802  -2.562
   86   1HG   GLN  11          1HG       GLN  11  -6.125  -4.383  -4.759
   87   2HG   GLN  11          2HG       GLN  11  -4.717  -4.383  -3.701
   88   1HE2  GLN  11          1HE2      GLN  11  -5.787  -8.223  -4.128
   89   2HE2  GLN  11          2HE2      GLN  11  -6.701  -7.077  -3.201
   90    H    ALA  12           H        ALA  12  -6.083  -3.026  -0.642
   91    HA   ALA  12           HA       ALA  12  -3.407  -2.193  -0.951
   92   1HB   ALA  12          1HB       ALA  12  -5.868  -1.013  -0.233
   93   2HB   ALA  12          2HB       ALA  12  -4.697  -0.617   1.026
   94   3HB   ALA  12          3HB       ALA  12  -4.352  -0.217  -0.657
   95    H    GLU  13           H        GLU  13  -5.251  -3.365   1.830
   96    HA   GLU  13           HA       GLU  13  -3.389  -2.950   3.853
   97   1HB   GLU  13          1HB       GLU  13  -5.689  -4.757   3.431
   98   2HB   GLU  13          2HB       GLU  13  -4.535  -5.270   4.654
   99   1HG   GLU  13          1HG       GLU  13  -5.881  -2.583   4.592
  100   2HG   GLU  13          2HG       GLU  13  -6.426  -3.961   5.548
  101    H    ALA  14           H        ALA  14  -3.749  -5.755   1.693
  102    HA   ALA  14           HA       ALA  14  -1.725  -7.339   2.808
  103   1HB   ALA  14          1HB       ALA  14  -3.534  -7.678   0.809
  104   2HB   ALA  14          2HB       ALA  14  -2.029  -7.551  -0.103
  105   3HB   ALA  14          3HB       ALA  14  -2.198  -8.779   1.151
  106    H    GLU  15           H        GLU  15  -1.614  -5.046   0.095
  107    HA   GLU  15           HA       GLU  15   1.141  -5.341  -0.448
  108   1HB   GLU  15          1HB       GLU  15  -0.743  -3.035  -0.965
  109   2HB   GLU  15          2HB       GLU  15   0.908  -3.102  -1.567
  110   1HG   GLU  15          1HG       GLU  15   0.397  -5.056  -2.878
  111   2HG   GLU  15          2HG       GLU  15  -1.230  -5.107  -2.204
  112    H    ASN  16           H        ASN  16  -0.659  -3.010   1.516
  113    HA   ASN  16           HA       ASN  16   1.387  -1.344   2.345
  114   1HB   ASN  16          1HB       ASN  16  -1.131  -1.184   2.806
  115   2HB   ASN  16          2HB       ASN  16  -0.844  -2.268   4.157
  116   1HD2  ASN  16          1HD2      ASN  16  -0.424   1.599   4.684
  117   2HD2  ASN  16          2HD2      ASN  16  -1.292   0.840   3.388
  118    H    TYR  17           H        TYR  17   0.302  -4.382   3.774
  119    HA   TYR  17           HA       TYR  17   2.050  -4.424   5.974
  120   1HB   TYR  17          1HB       TYR  17   0.021  -5.921   5.510
  121   2HB   TYR  17          2HB       TYR  17   1.092  -6.874   4.491
  122    HD1  TYR  17           HD1      TYR  17   3.329  -7.669   5.684
  123    HD2  TYR  17           HD2      TYR  17  -0.223  -6.513   7.723
  124    HE1  TYR  17           HE1      TYR  17   4.061  -8.928   7.663
  125    HE2  TYR  17           HE2      TYR  17   0.502  -7.771   9.707
  126    HH   TYR  17           HH       TYR  17   2.069  -9.044  10.617
  127    H    GLN  18           H        GLN  18   2.400  -5.606   2.661
  128    HA   GLN  18           HA       GLN  18   4.961  -6.785   3.090
  129   1HB   GLN  18          1HB       GLN  18   3.528  -5.998   0.556
  130   2HB   GLN  18          2HB       GLN  18   5.085  -6.815   0.579
  131   1HG   GLN  18          1HG       GLN  18   3.995  -8.637   1.912
  132   2HG   GLN  18          2HG       GLN  18   2.451  -7.850   1.580
  133   1HE2  GLN  18          1HE2      GLN  18   4.026 -10.350  -1.063
  134   2HE2  GLN  18          2HE2      GLN  18   4.557 -10.164   0.580
  135    H    LEU  19           H        LEU  19   3.872  -3.630   1.943
  136    HA   LEU  19           HA       LEU  19   6.369  -2.659   1.065
  137   1HB   LEU  19          1HB       LEU  19   4.227  -0.968   2.337
  138   2HB   LEU  19          2HB       LEU  19   5.444  -0.461   1.190
  139    HG   LEU  19           HG       LEU  19   2.974  -2.099   0.659
  140   1HD1  LEU  19          1HD1      LEU  19   3.572   0.634   0.541
  141   2HD1  LEU  19          2HD1      LEU  19   3.489   0.067  -1.128
  142   3HD1  LEU  19          3HD1      LEU  19   2.122  -0.187  -0.041
  143   1HD2  LEU  19          1HD2      LEU  19   5.029  -2.991  -0.553
  144   2HD2  LEU  19          2HD2      LEU  19   3.650  -2.522  -1.547
  145   3HD2  LEU  19          3HD2      LEU  19   5.046  -1.453  -1.416
  146    H    GLU  20           H        GLU  20   4.755  -2.463   4.227
  147    HA   GLU  20           HA       GLU  20   6.719  -0.955   5.542
  148   1HB   GLU  20          1HB       GLU  20   4.747  -2.992   6.577
  149   2HB   GLU  20          2HB       GLU  20   5.793  -2.060   7.639
  150   1HG   GLU  20          1HG       GLU  20   3.894  -0.796   5.682
  151   2HG   GLU  20          2HG       GLU  20   3.455  -1.185   7.342
  152    H    GLN  21           H        GLN  21   6.372  -4.458   5.158
  153    HA   GLN  21           HA       GLN  21   8.597  -5.190   6.731
  154   1HB   GLN  21          1HB       GLN  21   7.242  -6.591   4.426
  155   2HB   GLN  21          2HB       GLN  21   8.544  -7.314   5.358
  156   1HG   GLN  21          1HG       GLN  21   7.170  -7.123   7.387
  157   2HG   GLN  21          2HG       GLN  21   5.859  -6.456   6.414
  158   1HE2  GLN  21          1HE2      GLN  21   6.226 -10.374   6.800
  159   2HE2  GLN  21          2HE2      GLN  21   6.996  -9.188   7.806
  160    H    GLU  22           H        GLU  22   8.229  -4.419   3.318
  161    HA   GLU  22           HA       GLU  22  10.857  -5.056   2.511
  162   1HB   GLU  22          1HB       GLU  22   8.774  -4.615   1.079
  163   2HB   GLU  22          2HB       GLU  22   9.121  -2.907   1.298
  164   1HG   GLU  22          1HG       GLU  22   9.981  -3.660  -0.810
  165   2HG   GLU  22          2HG       GLU  22  11.317  -3.232   0.256
  166    H    VAL  23           H        VAL  23   9.323  -2.045   3.576
  167    HA   VAL  23           HA       VAL  23  11.545  -0.352   3.313
  168    HB   VAL  23           HB       VAL  23   9.154  -0.215   5.159
  169   1HG1  VAL  23          1HG1      VAL  23  11.454   1.052   5.750
  170   2HG1  VAL  23          2HG1      VAL  23  10.727   2.237   4.665
  171   3HG1  VAL  23          3HG1      VAL  23   9.860   1.712   6.112
  172   1HG2  VAL  23          1HG2      VAL  23   9.628   0.437   2.408
  173   2HG2  VAL  23          2HG2      VAL  23   8.126   0.512   3.327
  174   3HG2  VAL  23          3HG2      VAL  23   9.215   1.899   3.305
  175    H    ALA  24           H        ALA  24  10.368  -2.197   6.125
  176    HA   ALA  24           HA       ALA  24  12.333  -1.391   7.943
  177   1HB   ALA  24          1HB       ALA  24  10.184  -3.166   7.959
  178   2HB   ALA  24          2HB       ALA  24  11.595  -4.144   8.361
  179   3HB   ALA  24          3HB       ALA  24  11.208  -2.717   9.322
  180    H    GLN  25           H        GLN  25  12.296  -4.017   5.592
  181    HA   GLN  25           HA       GLN  25  14.688  -5.286   6.353
  182   1HB   GLN  25          1HB       GLN  25  12.976  -6.228   4.794
  183   2HB   GLN  25          2HB       GLN  25  13.519  -5.088   3.573
  184   1HG   GLN  25          1HG       GLN  25  15.812  -6.109   3.819
  185   2HG   GLN  25          2HG       GLN  25  15.042  -7.383   4.762
  186   1HE2  GLN  25          1HE2      GLN  25  13.320  -7.280   1.120
  187   2HE2  GLN  25          2HE2      GLN  25  13.161  -5.996   2.265
  188    H    LEU  26           H        LEU  26  14.071  -2.891   3.787
  189    HA   LEU  26           HA       LEU  26  16.744  -2.591   2.988
  190   1HB   LEU  26          1HB       LEU  26  14.522  -0.564   2.821
  191   2HB   LEU  26          2HB       LEU  26  15.999  -0.561   1.877
  192    HG   LEU  26           HG       LEU  26  13.857  -2.680   1.743
  193   1HD1  LEU  26          1HD1      LEU  26  14.029  -0.110   0.525
  194   2HD1  LEU  26          2HD1      LEU  26  14.229  -1.345  -0.718
  195   3HD1  LEU  26          3HD1      LEU  26  12.799  -1.356   0.313
  196   1HD2  LEU  26          1HD2      LEU  26  16.605  -2.587   0.810
  197   2HD2  LEU  26          2HD2      LEU  26  15.480  -3.945   0.883
  198   3HD2  LEU  26          3HD2      LEU  26  15.456  -2.854  -0.502
  199    H    GLU  27           H        GLU  27  14.821  -0.762   5.342
  200    HA   GLU  27           HA       GLU  27  16.722   1.194   6.003
  201   1HB   GLU  27          1HB       GLU  27  14.421  -0.068   7.451
  202   2HB   GLU  27          2HB       GLU  27  15.508   0.996   8.332
  203   1HG   GLU  27          1HG       GLU  27  14.223   1.874   5.777
  204   2HG   GLU  27          2HG       GLU  27  13.374   1.980   7.320
  205    H    HIS  28           H        HIS  28  16.217  -2.069   7.180
  206    HA   HIS  28           HA       HIS  28  18.195  -1.992   9.221
  207   1HB   HIS  28          1HB       HIS  28  16.364  -3.533   9.402
  208   2HB   HIS  28          2HB       HIS  28  16.726  -4.240   7.836
  209    HD1  HIS  28           HD1      HIS  28  19.058  -3.750  10.835
  210    HD2  HIS  28           HD2      HIS  28  17.430  -6.729   8.430
  211    HE1  HIS  28           HE1      HIS  28  20.101  -5.925  11.598
  212    H    GLU  29           H        GLU  29  18.144  -3.268   5.900
  213    HA   GLU  29           HA       GLU  29  20.784  -4.306   5.990
  214   1HB   GLU  29          1HB       GLU  29  19.036  -3.570   3.645
  215   2HB   GLU  29          2HB       GLU  29  20.577  -4.401   3.505
  216   1HG   GLU  29          1HG       GLU  29  18.091  -5.404   4.864
  217   2HG   GLU  29          2HG       GLU  29  18.806  -6.001   3.366
  218    H    CYS  30           H        CYS  30  19.541  -1.140   5.483
  219    HA   CYS  30           HA       CYS  30  21.838  -0.144   4.077
  220   1HB   CYS  30          1HB       CYS  30  19.610   0.900   3.842
  221   2HB   CYS  30          2HB       CYS  30  19.661   1.376   5.534
  222    H    GLY  31           H        GLY  31  20.945  -0.625   7.379
  223   1HA   GLY  31          1HA       GLY  31  22.819  -0.776   8.949
  224   2HA   GLY  31          2HA       GLY  31  23.462   0.681   8.206
  225   1HN   NH2  32          1HN       NH2  32  23.479   2.009   9.938
  226   2HN   NH2  32          2HN       NH2  32  22.065   2.482  10.825
  227   1H    ACE   0          1H        ACE   0 -17.820  -1.482   7.058
  228   2H    ACE   0          2H        ACE   0 -19.197  -2.582   6.944
  229   3H    ACE   0          3H        ACE   0 -19.132  -1.377   8.234
  230    H    GLU   1           H        GLU   1 -18.665   0.940   7.193
  231    HA   GLU   1           HA       GLU   1 -20.950   1.454   5.504
  232   1HB   GLU   1          1HB       GLU   1 -20.503   2.946   7.372
  233   2HB   GLU   1          2HB       GLU   1 -18.905   3.299   6.739
  234   1HG   GLU   1          1HG       GLU   1 -20.430   5.130   6.325
  235   2HG   GLU   1          2HG       GLU   1 -19.900   4.405   4.809
  236    H    VAL   2           H        VAL   2 -20.950   1.941   3.415
  237    HA   VAL   2           HA       VAL   2 -18.849   1.247   1.725
  238    HB   VAL   2           HB       VAL   2 -21.245   3.018   1.214
  239   1HG1  VAL   2          1HG1      VAL   2 -19.324   3.446  -0.371
  240   2HG1  VAL   2          2HG1      VAL   2 -19.501   1.771  -0.900
  241   3HG1  VAL   2          3HG1      VAL   2 -20.830   2.909  -1.119
  242   1HG2  VAL   2          1HG2      VAL   2 -21.632   0.623   1.796
  243   2HG2  VAL   2          2HG2      VAL   2 -22.223   1.088   0.201
  244   3HG2  VAL   2          3HG2      VAL   2 -20.719   0.179   0.354
  245    H    GLN   3           H        GLN   3 -20.006   4.527   2.527
  246    HA   GLN   3           HA       GLN   3 -18.010   5.957   1.198
  247   1HB   GLN   3          1HB       GLN   3 -20.057   6.978   2.062
  248   2HB   GLN   3          2HB       GLN   3 -19.527   6.676   3.712
  249   1HG   GLN   3          1HG       GLN   3 -17.570   8.152   3.274
  250   2HG   GLN   3          2HG       GLN   3 -18.289   8.549   1.714
  251   1HE2  GLN   3          1HE2      GLN   3 -21.101   9.679   4.223
  252   2HE2  GLN   3          2HE2      GLN   3 -20.835   8.061   3.663
  253    H    ALA   4           H        ALA   4 -18.128   4.642   4.456
  254    HA   ALA   4           HA       ALA   4 -15.771   5.755   5.483
  255   1HB   ALA   4          1HB       ALA   4 -17.308   3.261   6.140
  256   2HB   ALA   4          2HB       ALA   4 -15.853   3.728   7.020
  257   3HB   ALA   4          3HB       ALA   4 -17.262   4.790   7.019
  258    H    LEU   5           H        LEU   5 -16.359   2.656   3.846
  259    HA   LEU   5           HA       LEU   5 -13.697   1.737   4.012
  260   1HB   LEU   5          1HB       LEU   5 -15.912   1.025   2.103
  261   2HB   LEU   5          2HB       LEU   5 -14.374   0.183   2.169
  262    HG   LEU   5           HG       LEU   5 -16.379   0.353   4.418
  263   1HD1  LEU   5          1HD1      LEU   5 -16.849  -1.090   2.319
  264   2HD1  LEU   5          2HD1      LEU   5 -15.587  -2.137   2.970
  265   3HD1  LEU   5          3HD1      LEU   5 -17.034  -1.806   3.921
  266   1HD2  LEU   5          1HD2      LEU   5 -13.906   0.211   5.014
  267   2HD2  LEU   5          2HD2      LEU   5 -14.963  -1.040   5.673
  268   3HD2  LEU   5          3HD2      LEU   5 -13.942  -1.393   4.279
  269    H    LYS   6           H        LYS   6 -15.345   3.806   1.707
  270    HA   LYS   6           HA       LYS   6 -13.394   3.669  -0.336
  271   1HB   LYS   6          1HB       LYS   6 -15.301   5.910   0.380
  272   2HB   LYS   6          2HB       LYS   6 -14.379   5.814  -1.114
  273   1HG   LYS   6          1HG       LYS   6 -15.539   3.757  -1.716
  274   2HG   LYS   6          2HG       LYS   6 -16.449   3.823  -0.207
  275   1HD   LYS   6          1HD       LYS   6 -17.872   4.675  -1.903
  276   2HD   LYS   6          2HD       LYS   6 -17.322   6.062  -0.961
  277   1HE   LYS   6          1HE       LYS   6 -15.728   6.649  -2.643
  278   2HE   LYS   6          2HE       LYS   6 -16.048   5.162  -3.535
  279   1HZ   LYS   6          1HZ       LYS   6 -18.032   7.326  -3.080
  280   2HZ   LYS   6          2HZ       LYS   6 -17.150   7.102  -4.511
  281   3HZ   LYS   6          3HZ       LYS   6 -18.267   5.928  -4.000
  282    H    LYS   7           H        LYS   7 -13.795   5.770   2.476
  283    HA   LYS   7           HA       LYS   7 -11.510   7.372   1.912
  284   1HB   LYS   7          1HB       LYS   7 -13.360   7.039   4.210
  285   2HB   LYS   7          2HB       LYS   7 -11.776   7.722   4.554
  286   1HG   LYS   7          1HG       LYS   7 -13.406   9.470   4.154
  287   2HG   LYS   7          2HG       LYS   7 -12.167   9.471   2.898
  288   1HD   LYS   7          1HD       LYS   7 -13.777   8.081   1.507
  289   2HD   LYS   7          2HD       LYS   7 -15.002   8.482   2.716
  290   1HE   LYS   7          1HE       LYS   7 -14.636  10.865   2.312
  291   2HE   LYS   7          2HE       LYS   7 -13.409  10.472   1.105
  292   1HZ   LYS   7          1HZ       LYS   7 -16.148   9.416   0.837
  293   2HZ   LYS   7          2HZ       LYS   7 -15.797  10.996   0.351
  294   3HZ   LYS   7          3HZ       LYS   7 -14.987   9.687  -0.366
  295    H    ARG   8           H        ARG   8 -12.069   4.360   3.578
  296    HA   ARG   8           HA       ARG   8  -9.575   4.125   4.903
  297   1HB   ARG   8          1HB       ARG   8 -11.447   2.674   5.480
  298   2HB   ARG   8          2HB       ARG   8 -11.475   2.014   3.853
  299   1HG   ARG   8          1HG       ARG   8 -10.262   0.362   4.711
  300   2HG   ARG   8          2HG       ARG   8  -8.912   1.494   4.628
  301   1HD   ARG   8          1HD       ARG   8  -9.224   2.119   6.919
  302   2HD   ARG   8          2HD       ARG   8 -10.731   1.207   7.012
  303    HE   ARG   8           HE       ARG   8  -9.538  -0.743   7.242
  304   1HH1  ARG   8          1HH1      ARG   8  -7.338   1.912   6.566
  305   2HH1  ARG   8          2HH1      ARG   8  -5.911   0.920   6.706
  306   1HH2  ARG   8          1HH2      ARG   8  -7.665  -2.036   7.395
  307   2HH2  ARG   8          2HH2      ARG   8  -6.095  -1.323   7.148
  308    H    VAL   9           H        VAL   9 -10.792   3.081   1.756
  309    HA   VAL   9           HA       VAL   9  -8.489   1.822   0.784
  310    HB   VAL   9           HB       VAL   9 -10.676   3.295  -0.699
  311   1HG1  VAL   9          1HG1      VAL   9  -8.469   1.555  -1.777
  312   2HG1  VAL   9          2HG1      VAL   9  -9.906   2.012  -2.691
  313   3HG1  VAL   9          3HG1      VAL   9  -8.775   3.251  -2.149
  314   1HG2  VAL   9          1HG2      VAL   9 -10.405   0.616   0.429
  315   2HG2  VAL   9          2HG2      VAL   9 -11.849   1.504  -0.059
  316   3HG2  VAL   9          3HG2      VAL   9 -10.906   0.625  -1.263
  317    H    GLN  10           H        GLN  10  -9.605   5.164   0.483
  318    HA   GLN  10           HA       GLN  10  -7.489   6.160  -1.061
  319   1HB   GLN  10          1HB       GLN  10  -9.317   7.523   0.917
  320   2HB   GLN  10          2HB       GLN  10  -8.203   8.385  -0.137
  321   1HG   GLN  10          1HG       GLN  10 -10.455   6.606  -1.042
  322   2HG   GLN  10          2HG       GLN  10 -10.467   8.368  -1.029
  323   1HE2  GLN  10          1HE2      GLN  10  -9.128   6.479  -4.210
  324   2HE2  GLN  10          2HE2      GLN  10 -10.147   5.813  -2.980
  325    H    ALA  11           H        ALA  11  -7.907   5.980   2.461
  326    HA   ALA  11           HA       ALA  11  -5.545   7.364   3.149
  327   1HB   ALA  11          1HB       ALA  11  -7.562   5.784   4.521
  328   2HB   ALA  11          2HB       ALA  11  -5.948   5.548   5.193
  329   3HB   ALA  11          3HB       ALA  11  -6.635   7.170   5.093
  330    H    LEU  12           H        LEU  12  -6.249   3.956   2.562
  331    HA   LEU  12           HA       LEU  12  -3.693   2.969   3.239
  332   1HB   LEU  12          1HB       LEU  12  -5.898   1.905   1.500
  333   2HB   LEU  12          2HB       LEU  12  -4.380   1.056   1.670
  334    HG   LEU  12           HG       LEU  12  -6.010   1.803   4.081
  335   1HD1  LEU  12          1HD1      LEU  12  -6.278  -0.650   2.343
  336   2HD1  LEU  12          2HD1      LEU  12  -6.901  -0.523   3.987
  337   3HD1  LEU  12          3HD1      LEU  12  -7.532   0.532   2.723
  338   1HD2  LEU  12          1HD2      LEU  12  -3.614   1.095   4.266
  339   2HD2  LEU  12          2HD2      LEU  12  -4.753   0.048   5.116
  340   3HD2  LEU  12          3HD2      LEU  12  -4.081  -0.456   3.566
  341    H    LYS  13           H        LYS  13  -5.143   3.725   0.064
  342    HA   LYS  13           HA       LYS  13  -2.885   3.195  -1.489
  343   1HB   LYS  13          1HB       LYS  13  -5.352   4.791  -1.847
  344   2HB   LYS  13          2HB       LYS  13  -4.010   5.203  -2.908
  345   1HG   LYS  13          1HG       LYS  13  -5.495   3.573  -3.942
  346   2HG   LYS  13          2HG       LYS  13  -3.884   2.906  -3.686
  347   1HD   LYS  13          1HD       LYS  13  -4.754   1.863  -1.574
  348   2HD   LYS  13          2HD       LYS  13  -6.368   2.381  -2.063
  349   1HE   LYS  13          1HE       LYS  13  -4.552   0.543  -3.622
  350   2HE   LYS  13          2HE       LYS  13  -5.941   0.044  -2.663
  351   1HZ   LYS  13          1HZ       LYS  13  -6.925   1.946  -4.383
  352   2HZ   LYS  13          2HZ       LYS  13  -5.850   1.041  -5.333
  353   3HZ   LYS  13          3HZ       LYS  13  -7.120   0.260  -4.515
  354    H    ALA  14           H        ALA  14  -3.757   6.113   0.288
  355    HA   ALA  14           HA       ALA  14  -1.695   7.757  -0.764
  356   1HB   ALA  14          1HB       ALA  14  -3.803   8.095   1.018
  357   2HB   ALA  14          2HB       ALA  14  -2.357   8.394   1.981
  358   3HB   ALA  14          3HB       ALA  14  -2.644   9.324   0.510
  359    H    ARG  15           H        ARG  15  -1.895   5.678   2.083
  360    HA   ARG  15           HA       ARG  15   0.744   6.245   3.021
  361   1HB   ARG  15          1HB       ARG  15  -0.905   5.412   4.574
  362   2HB   ARG  15          2HB       ARG  15  -1.186   3.986   3.588
  363   1HG   ARG  15          1HG       ARG  15   0.112   3.336   5.472
  364   2HG   ARG  15          2HG       ARG  15   1.151   3.275   4.048
  365   1HD   ARG  15          1HD       ARG  15   1.991   5.553   4.670
  366   2HD   ARG  15          2HD       ARG  15   1.090   5.404   6.179
  367    HE   ARG  15           HE       ARG  15   2.770   3.157   5.795
  368   1HH1  ARG  15          1HH1      ARG  15   2.841   6.544   6.695
  369   2HH1  ARG  15          2HH1      ARG  15   4.323   6.409   7.595
  370   1HH2  ARG  15          1HH2      ARG  15   4.739   2.968   6.946
  371   2HH2  ARG  15          2HH2      ARG  15   5.408   4.365   7.746
  372    H    ASN  16           H        ASN  16  -0.736   3.729   1.065
  373    HA   ASN  16           HA       ASN  16   1.468   2.034   0.744
  374   1HB   ASN  16          1HB       ASN  16  -1.068   2.544  -0.765
  375   2HB   ASN  16          2HB       ASN  16   0.156   1.526  -1.492
  376   1HD2  ASN  16          1HD2      ASN  16  -1.003  -1.248   0.185
  377   2HD2  ASN  16          2HD2      ASN  16  -0.329  -0.526  -1.241
  378    H    TYR  17           H        TYR  17   0.426   4.921  -0.951
  379    HA   TYR  17           HA       TYR  17   2.194   4.766  -3.141
  380   1HB   TYR  17          1HB       TYR  17   0.190   6.303  -2.890
  381   2HB   TYR  17          2HB       TYR  17   1.191   7.308  -1.850
  382    HD1  TYR  17           HD1      TYR  17   1.437   5.686  -5.215
  383    HD2  TYR  17           HD2      TYR  17   2.164   9.139  -2.837
  384    HE1  TYR  17           HE1      TYR  17   2.314   6.854  -7.191
  385    HE2  TYR  17           HE2      TYR  17   3.041  10.315  -4.809
  386    HH   TYR  17           HH       TYR  17   4.103   9.674  -7.013
  387    H    ALA  18           H        ALA  18   2.424   6.470  -0.031
  388    HA   ALA  18           HA       ALA  18   5.016   7.516  -0.419
  389   1HB   ALA  18          1HB       ALA  18   3.102   7.432   1.711
  390   2HB   ALA  18          2HB       ALA  18   4.713   7.070   2.331
  391   3HB   ALA  18          3HB       ALA  18   4.427   8.564   1.440
  392    H    ALA  19           H        ALA  19   3.887   4.510   1.083
  393    HA   ALA  19           HA       ALA  19   6.440   3.627   1.925
  394   1HB   ALA  19          1HB       ALA  19   3.805   2.735   2.185
  395   2HB   ALA  19          2HB       ALA  19   4.662   1.436   1.354
  396   3HB   ALA  19          3HB       ALA  19   5.248   2.027   2.909
  397    H    LYS  20           H        LYS  20   4.587   3.191  -1.041
  398    HA   LYS  20           HA       LYS  20   6.172   1.226  -2.262
  399   1HB   LYS  20          1HB       LYS  20   3.941   2.771  -2.924
  400   2HB   LYS  20          2HB       LYS  20   5.144   3.173  -4.141
  401   1HG   LYS  20          1HG       LYS  20   5.299   0.946  -4.871
  402   2HG   LYS  20          2HG       LYS  20   4.435   0.342  -3.453
  403   1HD   LYS  20          1HD       LYS  20   2.427   1.543  -4.189
  404   2HD   LYS  20          2HD       LYS  20   3.296   2.085  -5.627
  405   1HE   LYS  20          1HE       LYS  20   2.918  -0.816  -4.909
  406   2HE   LYS  20          2HE       LYS  20   1.807   0.075  -5.948
  407   1HZ   LYS  20          1HZ       LYS  20   4.014   0.627  -7.224
  408   2HZ   LYS  20          2HZ       LYS  20   4.557  -0.799  -6.482
  409   3HZ   LYS  20          3HZ       LYS  20   3.200  -0.837  -7.492
  410    H    GLN  21           H        GLN  21   6.268   4.774  -2.611
  411    HA   GLN  21           HA       GLN  21   8.613   4.726  -4.215
  412   1HB   GLN  21          1HB       GLN  21   8.669   7.153  -3.880
  413   2HB   GLN  21          2HB       GLN  21   7.066   6.596  -4.337
  414   1HG   GLN  21          1HG       GLN  21   6.637   6.594  -1.772
  415   2HG   GLN  21          2HG       GLN  21   8.031   7.676  -1.736
  416   1HE2  GLN  21          1HE2      GLN  21   5.145   9.102  -4.197
  417   2HE2  GLN  21          2HE2      GLN  21   5.842   7.535  -4.438
  418    H    LYS  22           H        LYS  22   7.989   4.672  -0.819
  419    HA   LYS  22           HA       LYS  22  10.518   5.513   0.135
  420   1HB   LYS  22          1HB       LYS  22   8.130   4.295   1.232
  421   2HB   LYS  22          2HB       LYS  22   9.564   3.512   1.875
  422   1HG   LYS  22          1HG       LYS  22  10.388   5.873   2.409
  423   2HG   LYS  22          2HG       LYS  22   8.716   6.374   2.134
  424   1HD   LYS  22          1HD       LYS  22   7.921   5.175   3.944
  425   2HD   LYS  22          2HD       LYS  22   9.288   4.059   3.938
  426   1HE   LYS  22          1HE       LYS  22   9.478   5.483   5.855
  427   2HE   LYS  22          2HE       LYS  22  10.737   5.922   4.705
  428   1HZ   LYS  22          1HZ       LYS  22   8.155   7.357   4.994
  429   2HZ   LYS  22          2HZ       LYS  22   9.611   7.833   5.725
  430   3HZ   LYS  22          3HZ       LYS  22   9.477   7.821   4.032
  431    H    VAL  23           H        VAL  23   9.139   2.366  -0.698
  432    HA   VAL  23           HA       VAL  23  11.302   0.718  -0.079
  433    HB   VAL  23           HB       VAL  23   9.215   0.446  -2.258
  434   1HG1  VAL  23          1HG1      VAL  23  11.388  -0.900  -2.536
  435   2HG1  VAL  23          2HG1      VAL  23  10.816  -1.831  -1.151
  436   3HG1  VAL  23          3HG1      VAL  23   9.853  -1.764  -2.625
  437   1HG2  VAL  23          1HG2      VAL  23   9.213  -0.030   0.613
  438   2HG2  VAL  23          2HG2      VAL  23   7.863   0.082  -0.517
  439   3HG2  VAL  23          3HG2      VAL  23   8.720  -1.446  -0.313
  440    H    GLN  24           H        GLN  24  10.485   2.342  -3.138
  441    HA   GLN  24           HA       GLN  24  12.780   1.397  -4.511
  442   1HB   GLN  24          1HB       GLN  24  11.037   3.779  -5.152
  443   2HB   GLN  24          2HB       GLN  24  12.159   2.990  -6.254
  444   1HG   GLN  24          1HG       GLN  24  10.829   0.910  -6.050
  445   2HG   GLN  24          2HG       GLN  24   9.670   1.789  -5.056
  446   1HE2  GLN  24          1HE2      GLN  24   9.128   1.746  -8.922
  447   2HE2  GLN  24          2HE2      GLN  24   9.986   0.574  -7.973
  448    H    ALA  25           H        ALA  25  12.137   4.250  -2.578
  449    HA   ALA  25           HA       ALA  25  14.491   5.677  -3.322
  450   1HB   ALA  25          1HB       ALA  25  12.400   6.599  -2.166
  451   2HB   ALA  25          2HB       ALA  25  13.096   5.964  -0.675
  452   3HB   ALA  25          3HB       ALA  25  13.965   7.186  -1.603
  453    H    LEU  26           H        LEU  26  13.652   3.482  -0.689
  454    HA   LEU  26           HA       LEU  26  16.135   3.613   0.657
  455   1HB   LEU  26          1HB       LEU  26  14.059   1.416   0.587
  456   2HB   LEU  26          2HB       LEU  26  15.429   1.444   1.678
  457    HG   LEU  26           HG       LEU  26  13.228   3.507   1.626
  458   1HD1  LEU  26          1HD1      LEU  26  12.938   0.981   2.476
  459   2HD1  LEU  26          2HD1      LEU  26  13.621   1.711   3.927
  460   3HD1  LEU  26          3HD1      LEU  26  12.134   2.358   3.231
  461   1HD2  LEU  26          1HD2      LEU  26  15.554   4.196   2.389
  462   2HD2  LEU  26          2HD2      LEU  26  14.233   4.444   3.531
  463   3HD2  LEU  26          3HD2      LEU  26  15.327   3.075   3.733
  464    H    ARG  27           H        ARG  27  14.880   1.426  -1.855
  465    HA   ARG  27           HA       ARG  27  17.157  -0.240  -1.939
  466   1HB   ARG  27          1HB       ARG  27  14.834   0.266  -3.733
  467   2HB   ARG  27          2HB       ARG  27  16.206  -0.640  -4.362
  468   1HG   ARG  27          1HG       ARG  27  15.914  -2.377  -2.849
  469   2HG   ARG  27          2HG       ARG  27  14.955  -1.387  -1.753
  470   1HD   ARG  27          1HD       ARG  27  13.087  -1.426  -3.256
  471   2HD   ARG  27          2HD       ARG  27  14.049  -2.230  -4.495
  472    HE   ARG  27           HE       ARG  27  12.762  -3.449  -2.235
  473   1HH1  ARG  27          1HH1      ARG  27  15.308  -3.791  -4.615
  474   2HH1  ARG  27          2HH1      ARG  27  15.596  -5.475  -4.257
  475   1HH2  ARG  27          1HH2      ARG  27  13.127  -5.667  -1.756
  476   2HH2  ARG  27          2HH2      ARG  27  14.341  -6.534  -2.655
  477    H    HIS  28           H        HIS  28  16.520   2.891  -3.178
  478    HA   HIS  28           HA       HIS  28  18.566   2.869  -5.193
  479   1HB   HIS  28          1HB       HIS  28  16.618   4.397  -5.320
  480   2HB   HIS  28          2HB       HIS  28  17.166   5.191  -3.849
  481    HD1  HIS  28           HD1      HIS  28  18.618   4.515  -7.336
  482    HD2  HIS  28           HD2      HIS  28  18.576   7.400  -4.342
  483    HE1  HIS  28           HE1      HIS  28  19.968   6.469  -8.208
  484    H    LYS  29           H        LYS  29  18.186   4.157  -1.925
  485    HA   LYS  29           HA       LYS  29  20.829   5.196  -1.722
  486   1HB   LYS  29          1HB       LYS  29  18.953   6.054  -0.377
  487   2HB   LYS  29          2HB       LYS  29  18.835   4.505   0.443
  488   1HG   LYS  29          1HG       LYS  29  21.121   4.825   1.315
  489   2HG   LYS  29          2HG       LYS  29  21.149   6.424   0.565
  490   1HD   LYS  29          1HD       LYS  29  19.283   7.137   1.925
  491   2HD   LYS  29          2HD       LYS  29  19.129   5.517   2.616
  492   1HE   LYS  29          1HE       LYS  29  20.279   6.969   4.170
  493   2HE   LYS  29          2HE       LYS  29  21.385   5.736   3.568
  494   1HZ   LYS  29          1HZ       LYS  29  22.075   7.499   1.884
  495   2HZ   LYS  29          2HZ       LYS  29  21.291   8.612   2.889
  496   3HZ   LYS  29          3HZ       LYS  29  22.597   7.706   3.484
  497    H    CYS  30           H        CYS  30  19.256   2.307  -0.415
  498    HA   CYS  30           HA       CYS  30  21.871   0.994  -0.257
  499   1HB   CYS  30          1HB       CYS  30  19.900   1.167   2.032
  500   2HB   CYS  30          2HB       CYS  30  21.299   0.101   2.004
  501    H    GLY  31           H        GLY  31  20.871   0.000  -2.193
  502   1HA   GLY  31          1HA       GLY  31  19.463  -2.434  -1.399
  503   2HA   GLY  31          2HA       GLY  31  18.637  -1.394  -2.552
  504   1HN   NH2  32          1HN       NH2  32  21.665  -3.126  -2.020
  505   2HN   NH2  32          2HN       NH2  32  21.990  -3.437  -3.690
  Start of MODEL    5
    1   1H    ACE   0          1H        ACE   0 -17.608  -0.507  -7.503
    2   2H    ACE   0          2H        ACE   0 -18.128   1.156  -7.217
    3   3H    ACE   0          3H        ACE   0 -19.066   0.110  -8.287
    4    H    GLU   1           H        GLU   1 -19.087  -2.217  -6.778
    5    HA   GLU   1           HA       GLU   1 -21.051  -1.525  -4.766
    6   1HB   GLU   1          1HB       GLU   1 -21.332  -3.421  -6.411
    7   2HB   GLU   1          2HB       GLU   1 -20.057  -4.273  -5.549
    8   1HG   GLU   1          1HG       GLU   1 -22.299  -5.014  -4.884
    9   2HG   GLU   1          2HG       GLU   1 -21.402  -4.311  -3.539
   10    H    VAL   2           H        VAL   2 -20.951  -2.617  -2.602
   11    HA   VAL   2           HA       VAL   2 -18.706  -1.875  -1.161
   12    HB   VAL   2           HB       VAL   2 -20.602  -4.090  -0.380
   13   1HG1  VAL   2          1HG1      VAL   2 -18.424  -2.742   0.958
   14   2HG1  VAL   2          2HG1      VAL   2 -19.940  -2.567   1.842
   15   3HG1  VAL   2          3HG1      VAL   2 -19.331  -4.174   1.444
   16   1HG2  VAL   2          1HG2      VAL   2 -21.339  -1.539  -1.065
   17   2HG2  VAL   2          2HG2      VAL   2 -22.240  -2.616   0.004
   18   3HG2  VAL   2          3HG2      VAL   2 -21.134  -1.429   0.685
   19    H    ALA   3           H        ALA   3 -19.613  -5.167  -2.205
   20    HA   ALA   3           HA       ALA   3 -17.391  -6.526  -1.217
   21   1HB   ALA   3          1HB       ALA   3 -19.332  -7.040  -3.420
   22   2HB   ALA   3          2HB       ALA   3 -17.916  -8.078  -3.265
   23   3HB   ALA   3          3HB       ALA   3 -19.056  -7.938  -1.928
   24    H    GLN   4           H        GLN   4 -17.824  -4.835  -4.276
   25    HA   GLN   4           HA       GLN   4 -15.399  -5.625  -5.497
   26   1HB   GLN   4          1HB       GLN   4 -16.921  -3.043  -5.854
   27   2HB   GLN   4          2HB       GLN   4 -15.762  -3.726  -6.985
   28   1HG   GLN   4          1HG       GLN   4 -18.393  -4.980  -6.232
   29   2HG   GLN   4          2HG       GLN   4 -18.089  -4.048  -7.695
   30   1HE2  GLN   4          1HE2      GLN   4 -17.032  -6.786  -9.467
   31   2HE2  GLN   4          2HE2      GLN   4 -17.678  -5.176  -9.422
   32    H    LEU   5           H        LEU   5 -16.302  -2.849  -3.513
   33    HA   LEU   5           HA       LEU   5 -13.778  -1.581  -3.645
   34   1HB   LEU   5          1HB       LEU   5 -16.099  -1.389  -1.751
   35   2HB   LEU   5          2HB       LEU   5 -14.655  -0.409  -1.549
   36    HG   LEU   5           HG       LEU   5 -16.421  -0.402  -4.000
   37   1HD1  LEU   5          1HD1      LEU   5 -16.565   1.031  -1.453
   38   2HD1  LEU   5          2HD1      LEU   5 -16.620   2.065  -2.883
   39   3HD1  LEU   5          3HD1      LEU   5 -17.799   0.770  -2.687
   40   1HD2  LEU   5          1HD2      LEU   5 -13.875   0.240  -4.063
   41   2HD2  LEU   5          2HD2      LEU   5 -15.077   1.231  -4.890
   42   3HD2  LEU   5          3HD2      LEU   5 -14.454   1.730  -3.319
   43    H    GLU   6           H        GLU   6 -15.202  -3.961  -1.473
   44    HA   GLU   6           HA       GLU   6 -13.179  -3.972   0.497
   45   1HB   GLU   6          1HB       GLU   6 -15.182  -6.025  -0.424
   46   2HB   GLU   6          2HB       GLU   6 -14.003  -6.401   0.823
   47   1HG   GLU   6          1HG       GLU   6 -15.882  -4.068   1.019
   48   2HG   GLU   6          2HG       GLU   6 -16.289  -5.683   1.600
   49    H    LYS   7           H        LYS   7 -13.564  -5.810  -2.528
   50    HA   LYS   7           HA       LYS   7 -11.182  -7.317  -2.105
   51   1HB   LYS   7          1HB       LYS   7 -11.529  -8.234  -4.265
   52   2HB   LYS   7          2HB       LYS   7 -13.101  -8.090  -3.486
   53   1HG   LYS   7          1HG       LYS   7 -13.645  -6.188  -4.747
   54   2HG   LYS   7          2HG       LYS   7 -11.988  -6.059  -5.327
   55   1HD   LYS   7          1HD       LYS   7 -13.470  -6.998  -7.050
   56   2HD   LYS   7          2HD       LYS   7 -12.254  -8.175  -6.545
   57   1HE   LYS   7          1HE       LYS   7 -13.923  -9.167  -5.006
   58   2HE   LYS   7          2HE       LYS   7 -15.126  -8.041  -5.631
   59   1HZ   LYS   7          1HZ       LYS   7 -14.560  -9.046  -7.888
   60   2HZ   LYS   7          2HZ       LYS   7 -13.826 -10.304  -7.014
   61   3HZ   LYS   7          3HZ       LYS   7 -15.479  -9.983  -6.815
   62    H    GLU   8           H        GLU   8 -11.904  -4.222  -3.408
   63    HA   GLU   8           HA       GLU   8  -9.433  -3.904  -4.841
   64   1HB   GLU   8          1HB       GLU   8 -11.344  -2.593  -5.527
   65   2HB   GLU   8          2HB       GLU   8 -11.547  -1.948  -3.905
   66   1HG   GLU   8          1HG       GLU   8 -10.593  -0.265  -5.276
   67   2HG   GLU   8          2HG       GLU   8  -9.374  -0.805  -4.129
   68    H    VAL   9           H        VAL   9 -10.714  -3.130  -1.663
   69    HA   VAL   9           HA       VAL   9  -8.505  -1.626  -0.731
   70    HB   VAL   9           HB       VAL   9 -10.623  -3.199   0.761
   71   1HG1  VAL   9          1HG1      VAL   9  -8.178  -1.856   1.735
   72   2HG1  VAL   9          2HG1      VAL   9  -9.662  -1.463   2.602
   73   3HG1  VAL   9          3HG1      VAL   9  -9.135  -3.141   2.472
   74   1HG2  VAL   9          1HG2      VAL   9 -11.355  -1.194  -0.494
   75   2HG2  VAL   9          2HG2      VAL   9 -11.568  -1.024   1.249
   76   3HG2  VAL   9          3HG2      VAL   9 -10.219  -0.223   0.443
   77    H    ALA  10           H        ALA  10  -9.410  -5.036  -0.516
   78    HA   ALA  10           HA       ALA  10  -7.173  -5.925   0.950
   79   1HB   ALA  10          1HB       ALA  10  -9.255  -7.193  -0.731
   80   2HB   ALA  10          2HB       ALA  10  -7.788  -8.125  -0.432
   81   3HB   ALA  10          3HB       ALA  10  -8.760  -7.552   0.924
   82    H    GLN  11           H        GLN  11  -7.674  -5.257  -2.432
   83    HA   GLN  11           HA       GLN  11  -5.401  -6.549  -3.500
   84   1HB   GLN  11          1HB       GLN  11  -7.391  -5.634  -4.786
   85   2HB   GLN  11          2HB       GLN  11  -6.738  -4.030  -4.513
   86   1HG   GLN  11          1HG       GLN  11  -6.159  -4.770  -6.726
   87   2HG   GLN  11          2HG       GLN  11  -4.705  -4.649  -5.741
   88   1HE2  GLN  11          1HE2      GLN  11  -5.551  -8.039  -7.613
   89   2HE2  GLN  11          2HE2      GLN  11  -6.322  -6.516  -7.922
   90    H    ALA  12           H        ALA  12  -6.062  -3.228  -2.528
   91    HA   ALA  12           HA       ALA  12  -3.460  -2.238  -2.940
   92   1HB   ALA  12          1HB       ALA  12  -5.779  -1.044  -2.513
   93   2HB   ALA  12          2HB       ALA  12  -5.151  -0.992  -0.866
   94   3HB   ALA  12          3HB       ALA  12  -4.237  -0.254  -2.181
   95    H    GLU  13           H        GLU  13  -5.095  -3.536  -0.088
   96    HA   GLU  13           HA       GLU  13  -3.120  -2.992   1.803
   97   1HB   GLU  13          1HB       GLU  13  -5.225  -5.120   1.596
   98   2HB   GLU  13          2HB       GLU  13  -4.116  -5.068   2.959
   99   1HG   GLU  13          1HG       GLU  13  -4.891  -2.699   3.328
  100   2HG   GLU  13          2HG       GLU  13  -6.153  -3.022   2.140
  101    H    ALA  14           H        ALA  14  -3.538  -5.786  -0.347
  102    HA   ALA  14           HA       ALA  14  -1.380  -7.305   0.666
  103   1HB   ALA  14          1HB       ALA  14  -3.201  -7.436  -1.590
  104   2HB   ALA  14          2HB       ALA  14  -1.573  -7.950  -2.032
  105   3HB   ALA  14          3HB       ALA  14  -2.416  -8.741  -0.700
  106    H    GLU  15           H        GLU  15  -1.639  -5.081  -2.080
  107    HA   GLU  15           HA       GLU  15   0.987  -5.162  -2.985
  108   1HB   GLU  15          1HB       GLU  15  -1.294  -3.931  -3.747
  109   2HB   GLU  15          2HB       GLU  15  -0.451  -2.567  -3.027
  110   1HG   GLU  15          1HG       GLU  15   1.458  -3.006  -4.513
  111   2HG   GLU  15          2HG       GLU  15   0.531  -4.314  -5.248
  112    H    ASN  16           H        ASN  16  -0.572  -2.918  -0.732
  113    HA   ASN  16           HA       ASN  16   1.557  -1.281  -0.058
  114   1HB   ASN  16          1HB       ASN  16  -0.883  -1.041   0.583
  115   2HB   ASN  16          2HB       ASN  16  -0.606  -2.246   1.828
  116   1HD2  ASN  16          1HD2      ASN  16   0.102   1.567   2.583
  117   2HD2  ASN  16          2HD2      ASN  16  -0.809   0.959   1.232
  118    H    TYR  17           H        TYR  17   0.494  -4.284   1.487
  119    HA   TYR  17           HA       TYR  17   2.396  -4.362   3.528
  120   1HB   TYR  17          1HB       TYR  17   0.343  -5.800   3.340
  121   2HB   TYR  17          2HB       TYR  17   1.196  -6.763   2.138
  122    HD1  TYR  17           HD1      TYR  17   2.115  -5.338   5.470
  123    HD2  TYR  17           HD2      TYR  17   1.871  -8.793   3.007
  124    HE1  TYR  17           HE1      TYR  17   3.112  -6.682   7.270
  125    HE2  TYR  17           HE2      TYR  17   2.865 -10.146   4.803
  126    HH   TYR  17           HH       TYR  17   4.552  -9.012   7.235
  127    H    GLN  18           H        GLN  18   2.574  -5.466   0.181
  128    HA   GLN  18           HA       GLN  18   5.090  -6.784   0.488
  129   1HB   GLN  18          1HB       GLN  18   3.692  -5.767  -1.996
  130   2HB   GLN  18          2HB       GLN  18   5.126  -6.787  -1.996
  131   1HG   GLN  18          1HG       GLN  18   3.914  -8.578  -0.955
  132   2HG   GLN  18          2HG       GLN  18   2.488  -7.557  -0.773
  133   1HE2  GLN  18          1HE2      GLN  18   1.207  -8.382  -3.865
  134   2HE2  GLN  18          2HE2      GLN  18   0.992  -7.750  -2.267
  135    H    LEU  19           H        LEU  19   4.076  -3.538  -0.356
  136    HA   LEU  19           HA       LEU  19   6.598  -2.589  -1.271
  137   1HB   LEU  19          1HB       LEU  19   4.455  -0.941   0.059
  138   2HB   LEU  19          2HB       LEU  19   5.667  -0.390  -1.076
  139    HG   LEU  19           HG       LEU  19   3.281  -2.127  -1.675
  140   1HD1  LEU  19          1HD1      LEU  19   3.202   0.463  -1.314
  141   2HD1  LEU  19          2HD1      LEU  19   3.873   0.495  -2.945
  142   3HD1  LEU  19          3HD1      LEU  19   2.324  -0.291  -2.646
  143   1HD2  LEU  19          1HD2      LEU  19   5.610  -1.331  -3.391
  144   2HD2  LEU  19          2HD2      LEU  19   4.940  -2.938  -3.120
  145   3HD2  LEU  19          3HD2      LEU  19   4.038  -1.755  -4.071
  146    H    GLU  20           H        GLU  20   4.928  -2.333   1.852
  147    HA   GLU  20           HA       GLU  20   6.961  -0.913   3.152
  148   1HB   GLU  20          1HB       GLU  20   4.789  -2.694   4.243
  149   2HB   GLU  20          2HB       GLU  20   5.854  -1.723   5.258
  150   1HG   GLU  20          1HG       GLU  20   5.091   0.270   3.873
  151   2HG   GLU  20          2HG       GLU  20   3.826  -0.789   3.255
  152    H    GLN  21           H        GLN  21   6.529  -4.384   2.690
  153    HA   GLN  21           HA       GLN  21   8.501  -5.225   4.536
  154   1HB   GLN  21          1HB       GLN  21   7.507  -6.495   1.982
  155   2HB   GLN  21          2HB       GLN  21   8.660  -7.271   3.057
  156   1HG   GLN  21          1HG       GLN  21   7.006  -7.217   4.855
  157   2HG   GLN  21          2HG       GLN  21   5.854  -6.453   3.760
  158   1HE2  GLN  21          1HE2      GLN  21   4.797  -9.414   2.338
  159   2HE2  GLN  21          2HE2      GLN  21   4.614  -7.702   2.559
  160    H    GLU  22           H        GLU  22   8.592  -4.298   1.149
  161    HA   GLU  22           HA       GLU  22  11.331  -4.825   0.717
  162   1HB   GLU  22          1HB       GLU  22   9.341  -3.093  -0.698
  163   2HB   GLU  22          2HB       GLU  22  11.019  -3.221  -1.219
  164   1HG   GLU  22          1HG       GLU  22   9.065  -5.487  -0.964
  165   2HG   GLU  22          2HG       GLU  22   9.598  -4.727  -2.448
  166    H    VAL  23           H        VAL  23   9.544  -1.833   1.405
  167    HA   VAL  23           HA       VAL  23  11.703  -0.080   1.474
  168    HB   VAL  23           HB       VAL  23   9.115   0.004   3.032
  169   1HG1  VAL  23          1HG1      VAL  23  11.450   1.580   3.406
  170   2HG1  VAL  23          2HG1      VAL  23  10.212   2.596   2.668
  171   3HG1  VAL  23          3HG1      VAL  23   9.875   1.748   4.178
  172   1HG2  VAL  23          1HG2      VAL  23   9.377   0.167   0.391
  173   2HG2  VAL  23          2HG2      VAL  23   8.204   1.143   1.277
  174   3HG2  VAL  23          3HG2      VAL  23   9.749   1.843   0.791
  175    H    ALA  24           H        ALA  24  10.205  -1.853   4.180
  176    HA   ALA  24           HA       ALA  24  11.910  -0.957   6.193
  177   1HB   ALA  24          1HB       ALA  24   9.775  -2.678   6.058
  178   2HB   ALA  24          2HB       ALA  24  11.106  -3.747   6.500
  179   3HB   ALA  24          3HB       ALA  24  10.734  -2.342   7.501
  180    H    GLN  25           H        GLN  25  12.170  -3.851   4.144
  181    HA   GLN  25           HA       GLN  25  14.553  -4.836   5.254
  182   1HB   GLN  25          1HB       GLN  25  12.951  -6.063   3.719
  183   2HB   GLN  25          2HB       GLN  25  13.660  -5.165   2.388
  184   1HG   GLN  25          1HG       GLN  25  14.714  -7.262   2.401
  185   2HG   GLN  25          2HG       GLN  25  15.883  -6.123   3.068
  186   1HE2  GLN  25          1HE2      GLN  25  14.968  -9.380   5.077
  187   2HE2  GLN  25          2HE2      GLN  25  14.667  -9.102   3.391
  188    H    LEU  26           H        LEU  26  13.977  -2.769   2.421
  189    HA   LEU  26           HA       LEU  26  16.669  -2.536   1.657
  190   1HB   LEU  26          1HB       LEU  26  14.369  -0.649   1.187
  191   2HB   LEU  26          2HB       LEU  26  15.937  -0.499   0.424
  192    HG   LEU  26           HG       LEU  26  14.024  -2.809   0.070
  193   1HD1  LEU  26          1HD1      LEU  26  14.822  -0.578  -1.797
  194   2HD1  LEU  26          2HD1      LEU  26  13.828  -1.969  -2.232
  195   3HD1  LEU  26          3HD1      LEU  26  13.244  -0.802  -1.044
  196   1HD2  LEU  26          1HD2      LEU  26  16.605  -3.171  -0.021
  197   2HD2  LEU  26          2HD2      LEU  26  15.574  -3.850  -1.279
  198   3HD2  LEU  26          3HD2      LEU  26  16.470  -2.361  -1.583
  199    H    GLU  27           H        GLU  27  14.713  -0.463   3.788
  200    HA   GLU  27           HA       GLU  27  16.848   1.401   4.158
  201   1HB   GLU  27          1HB       GLU  27  14.479   0.810   5.977
  202   2HB   GLU  27          2HB       GLU  27  15.503   2.232   6.058
  203   1HG   GLU  27          1HG       GLU  27  14.312   1.816   3.434
  204   2HG   GLU  27          2HG       GLU  27  13.127   2.024   4.720
  205    H    HIS  28           H        HIS  28  15.613  -1.316   6.085
  206    HA   HIS  28           HA       HIS  28  17.321  -1.134   8.257
  207   1HB   HIS  28          1HB       HIS  28  15.411  -2.645   8.188
  208   2HB   HIS  28          2HB       HIS  28  16.188  -3.613   6.944
  209    HD1  HIS  28           HD1      HIS  28  17.316  -2.459  10.422
  210    HD2  HIS  28           HD2      HIS  28  17.034  -5.859   8.052
  211    HE1  HIS  28           HE1      HIS  28  18.268  -4.363  11.794
  212    H    GLU  29           H        GLU  29  17.869  -2.821   5.170
  213    HA   GLU  29           HA       GLU  29  20.585  -3.497   5.985
  214   1HB   GLU  29          1HB       GLU  29  19.078  -4.107   3.439
  215   2HB   GLU  29          2HB       GLU  29  20.689  -4.695   3.827
  216   1HG   GLU  29          1HG       GLU  29  18.216  -5.291   5.431
  217   2HG   GLU  29          2HG       GLU  29  18.908  -6.357   4.211
  218    H    CYS  30           H        CYS  30  19.118  -0.854   4.544
  219    HA   CYS  30           HA       CYS  30  21.704   0.008   3.456
  220   1HB   CYS  30          1HB       CYS  30  19.134  -0.269   1.987
  221   2HB   CYS  30          2HB       CYS  30  20.207   1.042   1.549
  222    H    GLY  31           H        GLY  31  18.406   1.352   3.389
  223   1HA   GLY  31          1HA       GLY  31  19.235   4.007   3.827
  224   2HA   GLY  31          2HA       GLY  31  17.591   3.412   3.962
  225   1HN   NH2  32          1HN       NH2  32  20.517   4.172   5.682
  226   2HN   NH2  32          2HN       NH2  32  19.841   4.062   7.277
  227   1H    ACE   0          1H        ACE   0 -18.378   0.037   6.942
  228   2H    ACE   0          2H        ACE   0 -16.986   0.712   6.088
  229   3H    ACE   0          3H        ACE   0 -17.293  -1.028   6.043
  230    H    GLU   1           H        GLU   1 -18.982   2.024   5.334
  231    HA   GLU   1           HA       GLU   1 -20.631   0.804   3.327
  232   1HB   GLU   1          1HB       GLU   1 -21.122   3.325   2.823
  233   2HB   GLU   1          2HB       GLU   1 -21.777   2.559   4.261
  234   1HG   GLU   1          1HG       GLU   1 -19.175   4.017   4.368
  235   2HG   GLU   1          2HG       GLU   1 -20.703   4.899   4.413
  236    H    VAL   2           H        VAL   2 -20.828   2.121   1.182
  237    HA   VAL   2           HA       VAL   2 -18.619   1.498  -0.401
  238    HB   VAL   2           HB       VAL   2 -20.909   3.411  -0.914
  239   1HG1  VAL   2          1HG1      VAL   2 -18.475   3.033  -2.431
  240   2HG1  VAL   2          2HG1      VAL   2 -19.897   2.588  -3.373
  241   3HG1  VAL   2          3HG1      VAL   2 -19.776   4.199  -2.665
  242   1HG2  VAL   2          1HG2      VAL   2 -20.851   0.663  -0.776
  243   2HG2  VAL   2          2HG2      VAL   2 -22.070   1.632  -1.606
  244   3HG2  VAL   2          3HG2      VAL   2 -20.702   0.979  -2.505
  245    H    GLN   3           H        GLN   3 -19.725   4.716   0.678
  246    HA   GLN   3           HA       GLN   3 -17.537   6.155  -0.313
  247   1HB   GLN   3          1HB       GLN   3 -19.623   7.207   0.454
  248   2HB   GLN   3          2HB       GLN   3 -19.238   6.767   2.110
  249   1HG   GLN   3          1HG       GLN   3 -17.295   8.207   2.075
  250   2HG   GLN   3          2HG       GLN   3 -17.583   8.594   0.382
  251   1HE2  GLN   3          1HE2      GLN   3 -19.456  11.345   1.219
  252   2HE2  GLN   3          2HE2      GLN   3 -18.283  10.583   0.202
  253    H    ALA   4           H        ALA   4 -18.007   4.420   2.708
  254    HA   ALA   4           HA       ALA   4 -15.735   5.373   4.055
  255   1HB   ALA   4          1HB       ALA   4 -17.792   3.666   4.651
  256   2HB   ALA   4          2HB       ALA   4 -16.385   2.602   4.639
  257   3HB   ALA   4          3HB       ALA   4 -16.411   4.021   5.688
  258    H    LEU   5           H        LEU   5 -16.217   2.516   2.020
  259    HA   LEU   5           HA       LEU   5 -13.539   1.586   2.234
  260   1HB   LEU   5          1HB       LEU   5 -15.673   0.998   0.178
  261   2HB   LEU   5          2HB       LEU   5 -14.151   0.135   0.313
  262    HG   LEU   5           HG       LEU   5 -16.266   0.235   2.467
  263   1HD1  LEU   5          1HD1      LEU   5 -15.756  -1.636   0.218
  264   2HD1  LEU   5          2HD1      LEU   5 -16.274  -2.298   1.766
  265   3HD1  LEU   5          3HD1      LEU   5 -17.279  -1.112   0.934
  266   1HD2  LEU   5          1HD2      LEU   5 -13.502  -0.641   2.401
  267   2HD2  LEU   5          2HD2      LEU   5 -14.587  -0.414   3.771
  268   3HD2  LEU   5          3HD2      LEU   5 -14.606  -1.932   2.878
  269    H    LYS   6           H        LYS   6 -15.124   3.889   0.114
  270    HA   LYS   6           HA       LYS   6 -13.170   3.895  -1.934
  271   1HB   LYS   6          1HB       LYS   6 -15.083   6.037  -0.981
  272   2HB   LYS   6          2HB       LYS   6 -14.069   6.204  -2.409
  273   1HG   LYS   6          1HG       LYS   6 -15.172   4.365  -3.475
  274   2HG   LYS   6          2HG       LYS   6 -16.083   4.008  -2.009
  275   1HD   LYS   6          1HD       LYS   6 -17.522   5.164  -3.528
  276   2HD   LYS   6          2HD       LYS   6 -17.143   6.254  -2.195
  277   1HE   LYS   6          1HE       LYS   6 -15.485   7.384  -3.562
  278   2HE   LYS   6          2HE       LYS   6 -15.780   6.255  -4.885
  279   1HZ   LYS   6          1HZ       LYS   6 -18.176   7.074  -4.742
  280   2HZ   LYS   6          2HZ       LYS   6 -17.557   8.368  -3.839
  281   3HZ   LYS   6          3HZ       LYS   6 -17.026   8.116  -5.430
  282    H    LYS   7           H        LYS   7 -13.515   5.617   1.118
  283    HA   LYS   7           HA       LYS   7 -11.208   7.263   0.773
  284   1HB   LYS   7          1HB       LYS   7 -12.331   6.389   3.431
  285   2HB   LYS   7          2HB       LYS   7 -11.461   7.867   3.058
  286   1HG   LYS   7          1HG       LYS   7 -14.299   7.153   2.403
  287   2HG   LYS   7          2HG       LYS   7 -13.691   8.516   3.343
  288   1HD   LYS   7          1HD       LYS   7 -13.325   8.110   0.376
  289   2HD   LYS   7          2HD       LYS   7 -14.490   9.203   1.128
  290   1HE   LYS   7          1HE       LYS   7 -12.613  10.443   2.160
  291   2HE   LYS   7          2HE       LYS   7 -11.483   9.380   1.323
  292   1HZ   LYS   7          1HZ       LYS   7 -12.410  10.161  -0.791
  293   2HZ   LYS   7          2HZ       LYS   7 -13.431  11.223   0.047
  294   3HZ   LYS   7          3HZ       LYS   7 -11.751  11.433   0.114
  295    H    ARG   8           H        ARG   8 -11.877   4.088   2.035
  296    HA   ARG   8           HA       ARG   8  -9.416   3.536   3.289
  297   1HB   ARG   8          1HB       ARG   8 -11.462   2.161   3.572
  298   2HB   ARG   8          2HB       ARG   8 -11.323   1.630   1.902
  299   1HG   ARG   8          1HG       ARG   8 -10.463  -0.115   3.203
  300   2HG   ARG   8          2HG       ARG   8  -9.054   0.708   2.530
  301   1HD   ARG   8          1HD       ARG   8  -8.408   0.490   4.717
  302   2HD   ARG   8          2HD       ARG   8  -9.192   2.065   4.746
  303    HE   ARG   8           HE       ARG   8 -11.093   0.069   5.331
  304   1HH1  ARG   8          1HH1      ARG   8  -8.335   1.683   6.768
  305   2HH1  ARG   8          2HH1      ARG   8  -8.861   1.412   8.401
  306   1HH2  ARG   8          1HH2      ARG   8 -11.783  -0.294   7.465
  307   2HH2  ARG   8          2HH2      ARG   8 -10.817   0.266   8.798
  308    H    VAL   9           H        VAL   9 -10.617   3.053   0.011
  309    HA   VAL   9           HA       VAL   9  -8.348   1.793  -1.072
  310    HB   VAL   9           HB       VAL   9 -10.491   3.469  -2.392
  311   1HG1  VAL   9          1HG1      VAL   9  -8.077   2.195  -3.517
  312   2HG1  VAL   9          2HG1      VAL   9  -9.583   1.950  -4.402
  313   3HG1  VAL   9          3HG1      VAL   9  -9.003   3.585  -4.084
  314   1HG2  VAL   9          1HG2      VAL   9 -10.176   0.601  -1.728
  315   2HG2  VAL   9          2HG2      VAL   9 -11.623   1.608  -1.756
  316   3HG2  VAL   9          3HG2      VAL   9 -10.944   1.000  -3.265
  317    H    GLN  10           H        GLN  10  -9.322   5.207  -0.948
  318    HA   GLN  10           HA       GLN  10  -7.124   6.217  -2.394
  319   1HB   GLN  10          1HB       GLN  10  -8.859   7.579  -0.328
  320   2HB   GLN  10          2HB       GLN  10  -7.773   8.400  -1.443
  321   1HG   GLN  10          1HG       GLN  10 -10.227   6.808  -2.129
  322   2HG   GLN  10          2HG       GLN  10  -9.998   8.549  -2.291
  323   1HE2  GLN  10          1HE2      GLN  10  -9.221   6.240  -5.353
  324   2HE2  GLN  10          2HE2      GLN  10 -10.262   5.893  -4.017
  325    H    ALA  11           H        ALA  11  -7.650   5.701   1.068
  326    HA   ALA  11           HA       ALA  11  -5.316   6.958   1.998
  327   1HB   ALA  11          1HB       ALA  11  -7.366   5.230   3.087
  328   2HB   ALA  11          2HB       ALA  11  -5.773   4.835   3.734
  329   3HB   ALA  11          3HB       ALA  11  -6.401   6.476   3.881
  330    H    LEU  12           H        LEU  12  -5.975   3.651   0.970
  331    HA   LEU  12           HA       LEU  12  -3.381   2.648   1.504
  332   1HB   LEU  12          1HB       LEU  12  -5.624   1.692  -0.244
  333   2HB   LEU  12          2HB       LEU  12  -4.095   0.847  -0.160
  334    HG   LEU  12           HG       LEU  12  -5.724   1.414   2.301
  335   1HD1  LEU  12          1HD1      LEU  12  -6.825  -0.008   0.355
  336   2HD1  LEU  12          2HD1      LEU  12  -5.774  -1.262   1.013
  337   3HD1  LEU  12          3HD1      LEU  12  -6.970  -0.482   2.048
  338   1HD2  LEU  12          1HD2      LEU  12  -3.225   0.729   2.270
  339   2HD2  LEU  12          2HD2      LEU  12  -4.336  -0.117   3.345
  340   3HD2  LEU  12          3HD2      LEU  12  -3.841  -0.865   1.827
  341    H    LYS  13           H        LYS  13  -4.965   3.744  -1.494
  342    HA   LYS  13           HA       LYS  13  -2.838   3.347  -3.250
  343   1HB   LYS  13          1HB       LYS  13  -5.283   4.966  -3.202
  344   2HB   LYS  13          2HB       LYS  13  -4.005   5.666  -4.178
  345   1HG   LYS  13          1HG       LYS  13  -5.528   4.267  -5.492
  346   2HG   LYS  13          2HG       LYS  13  -3.869   3.665  -5.521
  347   1HD   LYS  13          1HD       LYS  13  -4.438   1.968  -3.870
  348   2HD   LYS  13          2HD       LYS  13  -6.082   2.604  -3.758
  349   1HE   LYS  13          1HE       LYS  13  -6.556   1.976  -6.016
  350   2HE   LYS  13          2HE       LYS  13  -4.868   1.557  -6.309
  351   1HZ   LYS  13          1HZ       LYS  13  -6.236   0.147  -4.156
  352   2HZ   LYS  13          2HZ       LYS  13  -6.681  -0.252  -5.744
  353   3HZ   LYS  13          3HZ       LYS  13  -5.065  -0.413  -5.245
  354    H    ALA  14           H        ALA  14  -3.519   6.134  -1.152
  355    HA   ALA  14           HA       ALA  14  -1.419   7.771  -2.091
  356   1HB   ALA  14          1HB       ALA  14  -3.418   7.944  -0.134
  357   2HB   ALA  14          2HB       ALA  14  -1.892   8.179   0.717
  358   3HB   ALA  14          3HB       ALA  14  -2.309   9.215  -0.649
  359    H    ARG  15           H        ARG  15  -1.579   5.333   0.452
  360    HA   ARG  15           HA       ARG  15   1.095   5.696   1.394
  361   1HB   ARG  15          1HB       ARG  15  -0.911   3.451   1.644
  362   2HB   ARG  15          2HB       ARG  15   0.682   3.379   2.382
  363   1HG   ARG  15          1HG       ARG  15  -1.046   5.728   2.956
  364   2HG   ARG  15          2HG       ARG  15  -1.419   4.186   3.728
  365   1HD   ARG  15          1HD       ARG  15   1.273   5.538   3.805
  366   2HD   ARG  15          2HD       ARG  15   0.064   5.640   5.081
  367    HE   ARG  15           HE       ARG  15   1.823   3.440   4.528
  368   1HH1  ARG  15          1HH1      ARG  15  -1.263   4.339   5.935
  369   2HH1  ARG  15          2HH1      ARG  15  -1.358   2.924   6.938
  370   1HH2  ARG  15          1HH2      ARG  15   1.696   1.577   5.849
  371   2HH2  ARG  15          2HH2      ARG  15   0.325   1.367   6.907
  372    H    ASN  16           H        ASN  16  -0.487   3.546  -0.869
  373    HA   ASN  16           HA       ASN  16   1.670   1.878  -1.491
  374   1HB   ASN  16          1HB       ASN  16  -0.913   2.635  -2.816
  375   2HB   ASN  16          2HB       ASN  16   0.246   1.662  -3.700
  376   1HD2  ASN  16          1HD2      ASN  16  -1.044  -1.209  -2.262
  377   2HD2  ASN  16          2HD2      ASN  16  -0.539  -0.365  -3.680
  378    H    TYR  17           H        TYR  17   0.458   4.830  -2.990
  379    HA   TYR  17           HA       TYR  17   2.264   5.025  -5.114
  380   1HB   TYR  17          1HB       TYR  17   0.187   6.372  -4.764
  381   2HB   TYR  17          2HB       TYR  17   1.030   7.277  -3.518
  382    HD1  TYR  17           HD1      TYR  17   1.750   6.238  -7.044
  383    HD2  TYR  17           HD2      TYR  17   1.709   9.367  -4.166
  384    HE1  TYR  17           HE1      TYR  17   2.574   7.810  -8.746
  385    HE2  TYR  17           HE2      TYR  17   2.536  10.943  -5.860
  386    HH   TYR  17           HH       TYR  17   2.721  11.233  -8.164
  387    H    ALA  18           H        ALA  18   2.419   6.365  -1.839
  388    HA   ALA  18           HA       ALA  18   4.914   7.661  -2.175
  389   1HB   ALA  18          1HB       ALA  18   3.064   7.968  -0.363
  390   2HB   ALA  18          2HB       ALA  18   3.988   6.745   0.511
  391   3HB   ALA  18          3HB       ALA  18   4.755   8.263   0.038
  392    H    ALA  19           H        ALA  19   4.036   4.445  -1.024
  393    HA   ALA  19           HA       ALA  19   6.656   3.782  -0.115
  394   1HB   ALA  19          1HB       ALA  19   4.067   2.571  -0.101
  395   2HB   ALA  19          2HB       ALA  19   5.263   1.405  -0.668
  396   3HB   ALA  19          3HB       ALA  19   5.478   2.202   0.891
  397    H    LYS  20           H        LYS  20   4.860   3.070  -3.105
  398    HA   LYS  20           HA       LYS  20   6.632   1.299  -4.293
  399   1HB   LYS  20          1HB       LYS  20   4.791   3.365  -5.470
  400   2HB   LYS  20          2HB       LYS  20   5.737   2.286  -6.485
  401   1HG   LYS  20          1HG       LYS  20   4.639   0.376  -5.638
  402   2HG   LYS  20          2HG       LYS  20   3.888   1.304  -4.339
  403   1HD   LYS  20          1HD       LYS  20   2.640   2.591  -6.042
  404   2HD   LYS  20          2HD       LYS  20   3.321   1.539  -7.288
  405   1HE   LYS  20          1HE       LYS  20   2.286  -0.396  -6.262
  406   2HE   LYS  20          2HE       LYS  20   1.676   0.606  -4.946
  407   1HZ   LYS  20          1HZ       LYS  20   0.549   1.895  -6.885
  408   2HZ   LYS  20          2HZ       LYS  20   0.754   0.444  -7.732
  409   3HZ   LYS  20          3HZ       LYS  20  -0.142   0.462  -6.295
  410    H    GLN  21           H        GLN  21   6.617   4.849  -4.631
  411    HA   GLN  21           HA       GLN  21   8.933   4.921  -6.240
  412   1HB   GLN  21          1HB       GLN  21   9.017   7.346  -5.594
  413   2HB   GLN  21          2HB       GLN  21   7.491   6.814  -6.287
  414   1HG   GLN  21          1HG       GLN  21   6.629   6.575  -3.947
  415   2HG   GLN  21          2HG       GLN  21   8.111   7.362  -3.404
  416   1HE2  GLN  21          1HE2      GLN  21   5.036   9.505  -4.765
  417   2HE2  GLN  21          2HE2      GLN  21   4.990   7.788  -4.522
  418    H    LYS  22           H        LYS  22   8.441   4.725  -2.803
  419    HA   LYS  22           HA       LYS  22  11.091   5.495  -2.077
  420   1HB   LYS  22          1HB       LYS  22   8.852   4.129  -0.634
  421   2HB   LYS  22          2HB       LYS  22  10.466   4.112   0.059
  422   1HG   LYS  22          1HG       LYS  22  10.250   6.722  -0.476
  423   2HG   LYS  22          2HG       LYS  22   8.548   6.327  -0.227
  424   1HD   LYS  22          1HD       LYS  22   9.516   7.014   1.870
  425   2HD   LYS  22          2HD       LYS  22   9.156   5.286   1.945
  426   1HE   LYS  22          1HE       LYS  22  11.497   4.778   1.466
  427   2HE   LYS  22          2HE       LYS  22  11.857   6.500   1.362
  428   1HZ   LYS  22          1HZ       LYS  22  10.676   5.358   3.808
  429   2HZ   LYS  22          2HZ       LYS  22  12.350   5.261   3.534
  430   3HZ   LYS  22          3HZ       LYS  22  11.586   6.777   3.623
  431    H    VAL  23           H        VAL  23   9.448   2.389  -2.587
  432    HA   VAL  23           HA       VAL  23  11.567   0.699  -1.922
  433    HB   VAL  23           HB       VAL  23   9.554   0.230  -4.135
  434   1HG1  VAL  23          1HG1      VAL  23  11.763  -1.203  -3.714
  435   2HG1  VAL  23          2HG1      VAL  23  10.714  -1.976  -2.529
  436   3HG1  VAL  23          3HG1      VAL  23  10.244  -1.935  -4.231
  437   1HG2  VAL  23          1HG2      VAL  23   8.469   0.749  -1.988
  438   2HG2  VAL  23          2HG2      VAL  23   8.198  -0.921  -2.487
  439   3HG2  VAL  23          3HG2      VAL  23   9.376  -0.555  -1.224
  440    H    GLN  24           H        GLN  24  10.686   2.064  -5.087
  441    HA   GLN  24           HA       GLN  24  12.868   0.954  -6.481
  442   1HB   GLN  24          1HB       GLN  24  11.251   3.430  -7.078
  443   2HB   GLN  24          2HB       GLN  24  12.382   2.681  -8.196
  444   1HG   GLN  24          1HG       GLN  24   9.897   1.409  -7.077
  445   2HG   GLN  24          2HG       GLN  24  10.086   2.071  -8.698
  446   1HE2  GLN  24          1HE2      GLN  24  11.276  -0.877 -10.003
  447   2HE2  GLN  24          2HE2      GLN  24  10.519   0.665 -10.209
  448    H    ALA  25           H        ALA  25  12.475   4.016  -4.786
  449    HA   ALA  25           HA       ALA  25  14.951   5.161  -5.586
  450   1HB   ALA  25          1HB       ALA  25  13.142   6.504  -4.605
  451   2HB   ALA  25          2HB       ALA  25  13.359   5.676  -3.063
  452   3HB   ALA  25          3HB       ALA  25  14.647   6.697  -3.704
  453    H    LEU  26           H        LEU  26  14.007   3.208  -2.780
  454    HA   LEU  26           HA       LEU  26  16.532   3.234  -1.530
  455   1HB   LEU  26          1HB       LEU  26  14.387   1.108  -1.461
  456   2HB   LEU  26          2HB       LEU  26  15.743   1.208  -0.356
  457    HG   LEU  26           HG       LEU  26  13.562   3.281  -0.595
  458   1HD1  LEU  26          1HD1      LEU  26  13.614   0.761   0.732
  459   2HD1  LEU  26          2HD1      LEU  26  13.590   2.057   1.929
  460   3HD1  LEU  26          3HD1      LEU  26  12.334   1.975   0.693
  461   1HD2  LEU  26          1HD2      LEU  26  16.055   3.052   1.023
  462   2HD2  LEU  26          2HD2      LEU  26  15.349   4.462   0.239
  463   3HD2  LEU  26          3HD2      LEU  26  14.635   3.833   1.725
  464    H    ARG  27           H        ARG  27  15.122   1.301  -4.089
  465    HA   ARG  27           HA       ARG  27  17.066  -0.713  -4.261
  466   1HB   ARG  27          1HB       ARG  27  14.913   0.301  -5.930
  467   2HB   ARG  27          2HB       ARG  27  16.302  -0.163  -6.898
  468   1HG   ARG  27          1HG       ARG  27  14.867  -2.034  -6.779
  469   2HG   ARG  27          2HG       ARG  27  16.255  -2.386  -5.749
  470   1HD   ARG  27          1HD       ARG  27  14.984  -1.831  -3.776
  471   2HD   ARG  27          2HD       ARG  27  13.613  -1.324  -4.760
  472    HE   ARG  27           HE       ARG  27  14.238  -3.973  -3.937
  473   1HH1  ARG  27          1HH1      ARG  27  12.838  -2.168  -6.612
  474   2HH1  ARG  27          2HH1      ARG  27  11.928  -3.525  -7.202
  475   1HH2  ARG  27          1HH2      ARG  27  13.026  -5.722  -4.700
  476   2HH2  ARG  27          2HH2      ARG  27  12.034  -5.536  -6.116
  477    H    HIS  28           H        HIS  28  16.862   2.387  -6.103
  478    HA   HIS  28           HA       HIS  28  19.366   2.114  -7.341
  479   1HB   HIS  28          1HB       HIS  28  18.544   4.791  -6.617
  480   2HB   HIS  28          2HB       HIS  28  19.073   4.160  -8.134
  481    HD1  HIS  28           HD1      HIS  28  16.907   2.723  -9.388
  482    HD2  HIS  28           HD2      HIS  28  16.260   5.632  -6.510
  483    HE1  HIS  28           HE1      HIS  28  14.535   3.534  -9.763
  484    H    LYS  29           H        LYS  29  18.223   4.033  -4.658
  485    HA   LYS  29           HA       LYS  29  20.446   5.375  -4.011
  486   1HB   LYS  29          1HB       LYS  29  18.186   5.668  -2.990
  487   2HB   LYS  29          2HB       LYS  29  18.519   4.278  -1.964
  488   1HG   LYS  29          1HG       LYS  29  20.409   5.463  -0.965
  489   2HG   LYS  29          2HG       LYS  29  20.078   6.858  -1.995
  490   1HD   LYS  29          1HD       LYS  29  17.816   6.999  -0.962
  491   2HD   LYS  29          2HD       LYS  29  18.292   5.711   0.146
  492   1HE   LYS  29          1HE       LYS  29  20.141   7.111   0.954
  493   2HE   LYS  29          2HE       LYS  29  19.631   8.401  -0.133
  494   1HZ   LYS  29          1HZ       LYS  29  17.399   8.190   1.084
  495   2HZ   LYS  29          2HZ       LYS  29  18.279   7.378   2.282
  496   3HZ   LYS  29          3HZ       LYS  29  18.674   8.977   1.876
  497    H    CYS  30           H        CYS  30  19.810   2.037  -3.502
  498    HA   CYS  30           HA       CYS  30  22.505   1.537  -2.676
  499   1HB   CYS  30          1HB       CYS  30  21.554   2.243  -0.522
  500   2HB   CYS  30          2HB       CYS  30  20.305   1.014  -0.665
  501    H    GLY  31           H        GLY  31  19.510  -0.256  -1.918
  502   1HA   GLY  31          1HA       GLY  31  18.632  -2.157  -2.910
  503   2HA   GLY  31          2HA       GLY  31  19.865  -2.034  -4.159
  504   1HN   NH2  32          1HN       NH2  32  19.261  -3.065  -0.857
  505   2HN   NH2  32          2HN       NH2  32  20.582  -4.188  -0.764
  Start of MODEL    6
    1   1H    ACE   0          1H        ACE   0 -18.710   0.819  -6.837
    2   2H    ACE   0          2H        ACE   0 -17.550  -0.514  -6.848
    3   3H    ACE   0          3H        ACE   0 -17.342   0.827  -5.719
    4    H    GLU   1           H        GLU   1 -18.288  -2.295  -5.911
    5    HA   GLU   1           HA       GLU   1 -20.581  -2.246  -4.171
    6   1HB   GLU   1          1HB       GLU   1 -20.116  -4.031  -5.884
    7   2HB   GLU   1          2HB       GLU   1 -18.796  -4.583  -4.863
    8   1HG   GLU   1          1HG       GLU   1 -20.625  -5.992  -4.415
    9   2HG   GLU   1          2HG       GLU   1 -20.479  -4.907  -3.036
   10    H    VAL   2           H        VAL   2 -20.632  -3.138  -2.023
   11    HA   VAL   2           HA       VAL   2 -18.676  -2.140  -0.292
   12    HB   VAL   2           HB       VAL   2 -20.609  -4.392   0.295
   13   1HG1  VAL   2          1HG1      VAL   2 -18.572  -3.563   1.860
   14   2HG1  VAL   2          2HG1      VAL   2 -19.856  -2.476   2.392
   15   3HG1  VAL   2          3HG1      VAL   2 -20.088  -4.223   2.476
   16   1HG2  VAL   2          1HG2      VAL   2 -21.042  -1.551  -0.154
   17   2HG2  VAL   2          2HG2      VAL   2 -22.205  -2.874  -0.075
   18   3HG2  VAL   2          3HG2      VAL   2 -21.643  -2.102   1.409
   19    H    ALA   3           H        ALA   3 -19.304  -5.494  -1.314
   20    HA   ALA   3           HA       ALA   3 -17.251  -6.752   0.062
   21   1HB   ALA   3          1HB       ALA   3 -18.709  -7.381  -2.468
   22   2HB   ALA   3          2HB       ALA   3 -17.351  -8.386  -1.958
   23   3HB   ALA   3          3HB       ALA   3 -18.758  -8.207  -0.909
   24    H    GLN   4           H        GLN   4 -17.198  -5.242  -3.136
   25    HA   GLN   4           HA       GLN   4 -14.602  -5.936  -3.904
   26   1HB   GLN   4          1HB       GLN   4 -16.142  -3.415  -4.523
   27   2HB   GLN   4          2HB       GLN   4 -14.732  -3.987  -5.401
   28   1HG   GLN   4          1HG       GLN   4 -17.334  -5.483  -5.191
   29   2HG   GLN   4          2HG       GLN   4 -16.876  -4.445  -6.539
   30   1HE2  GLN   4          1HE2      GLN   4 -15.238  -6.977  -8.193
   31   2HE2  GLN   4          2HE2      GLN   4 -16.090  -5.469  -8.209
   32    H    LEU   5           H        LEU   5 -15.797  -3.058  -2.221
   33    HA   LEU   5           HA       LEU   5 -13.311  -1.799  -1.898
   34   1HB   LEU   5          1HB       LEU   5 -15.931  -1.580  -0.463
   35   2HB   LEU   5          2HB       LEU   5 -14.545  -0.603  -0.010
   36    HG   LEU   5           HG       LEU   5 -15.798  -0.626  -2.755
   37   1HD1  LEU   5          1HD1      LEU   5 -16.226   1.098  -0.350
   38   2HD1  LEU   5          2HD1      LEU   5 -16.447   1.742  -1.977
   39   3HD1  LEU   5          3HD1      LEU   5 -17.418   0.376  -1.431
   40   1HD2  LEU   5          1HD2      LEU   5 -13.410   0.633  -1.572
   41   2HD2  LEU   5          2HD2      LEU   5 -13.767   0.220  -3.251
   42   3HD2  LEU   5          3HD2      LEU   5 -14.430   1.692  -2.545
   43    H    GLU   6           H        GLU   6 -15.037  -4.162   0.085
   44    HA   GLU   6           HA       GLU   6 -13.372  -4.023   2.363
   45   1HB   GLU   6          1HB       GLU   6 -15.042  -6.255   1.205
   46   2HB   GLU   6          2HB       GLU   6 -14.136  -6.443   2.698
   47   1HG   GLU   6          1HG       GLU   6 -16.133  -4.240   2.316
   48   2HG   GLU   6          2HG       GLU   6 -16.597  -5.845   2.879
   49    H    LYS   7           H        LYS   7 -13.168  -5.812  -0.657
   50    HA   LYS   7           HA       LYS   7 -10.870  -7.354   0.007
   51   1HB   LYS   7          1HB       LYS   7 -11.845  -6.487  -2.724
   52   2HB   LYS   7          2HB       LYS   7 -10.729  -7.801  -2.391
   53   1HG   LYS   7          1HG       LYS   7 -12.410  -9.138  -1.451
   54   2HG   LYS   7          2HG       LYS   7 -13.532  -7.781  -1.321
   55   1HD   LYS   7          1HD       LYS   7 -13.499  -7.640  -3.827
   56   2HD   LYS   7          2HD       LYS   7 -12.578  -9.145  -3.835
   57   1HE   LYS   7          1HE       LYS   7 -14.402 -10.296  -2.711
   58   2HE   LYS   7          2HE       LYS   7 -15.314  -8.790  -2.614
   59   1HZ   LYS   7          1HZ       LYS   7 -15.089  -8.783  -5.157
   60   2HZ   LYS   7          2HZ       LYS   7 -14.703 -10.423  -4.993
   61   3HZ   LYS   7          3HZ       LYS   7 -16.205  -9.852  -4.459
   62    H    GLU   8           H        GLU   8 -11.426  -4.240  -1.540
   63    HA   GLU   8           HA       GLU   8  -8.754  -3.716  -2.291
   64   1HB   GLU   8          1HB       GLU   8 -10.722  -2.551  -3.228
   65   2HB   GLU   8          2HB       GLU   8 -11.003  -1.790  -1.670
   66   1HG   GLU   8          1HG       GLU   8  -9.948  -0.230  -3.106
   67   2HG   GLU   8          2HG       GLU   8  -8.796  -0.697  -1.859
   68    H    VAL   9           H        VAL   9 -10.658  -2.970   0.596
   69    HA   VAL   9           HA       VAL   9  -8.723  -1.375   1.890
   70    HB   VAL   9           HB       VAL   9 -10.996  -3.040   3.001
   71   1HG1  VAL   9          1HG1      VAL   9  -8.987  -1.312   4.412
   72   2HG1  VAL   9          2HG1      VAL   9 -10.601  -1.573   5.071
   73   3HG1  VAL   9          3HG1      VAL   9  -9.519  -2.943   4.816
   74   1HG2  VAL   9          1HG2      VAL   9 -10.858  -0.498   1.756
   75   2HG2  VAL   9          2HG2      VAL   9 -12.258  -1.285   2.485
   76   3HG2  VAL   9          3HG2      VAL   9 -11.229  -0.235   3.460
   77    H    ALA  10           H        ALA  10  -9.451  -4.831   1.997
   78    HA   ALA  10           HA       ALA  10  -7.416  -5.514   3.845
   79   1HB   ALA  10          1HB       ALA  10  -9.474  -6.890   3.048
   80   2HB   ALA  10          2HB       ALA  10  -8.392  -7.432   1.766
   81   3HB   ALA  10          3HB       ALA  10  -7.976  -7.727   3.455
   82    H    GLN  11           H        GLN  11  -7.510  -4.968   0.429
   83    HA   GLN  11           HA       GLN  11  -5.059  -6.191  -0.298
   84   1HB   GLN  11          1HB       GLN  11  -6.867  -5.507  -1.896
   85   2HB   GLN  11          2HB       GLN  11  -6.447  -3.832  -1.589
   86   1HG   GLN  11          1HG       GLN  11  -5.385  -4.376  -3.600
   87   2HG   GLN  11          2HG       GLN  11  -4.123  -4.396  -2.374
   88   1HE2  GLN  11          1HE2      GLN  11  -4.555  -7.513  -4.713
   89   2HE2  GLN  11          2HE2      GLN  11  -5.125  -5.905  -5.023
   90    H    ALA  12           H        ALA  12  -6.018  -2.859   0.383
   91    HA   ALA  12           HA       ALA  12  -3.465  -1.720   0.198
   92   1HB   ALA  12          1HB       ALA  12  -5.771  -0.578   0.295
   93   2HB   ALA  12          2HB       ALA  12  -5.541  -0.632   2.043
   94   3HB   ALA  12          3HB       ALA  12  -4.384   0.229   1.028
   95    H    GLU  13           H        GLU  13  -5.242  -3.092   2.910
   96    HA   GLU  13           HA       GLU  13  -3.398  -2.465   4.948
   97   1HB   GLU  13          1HB       GLU  13  -5.592  -4.458   4.588
   98   2HB   GLU  13          2HB       GLU  13  -4.490  -4.671   5.943
   99   1HG   GLU  13          1HG       GLU  13  -5.880  -2.068   5.445
  100   2HG   GLU  13          2HG       GLU  13  -6.669  -3.380   6.319
  101    H    ALA  14           H        ALA  14  -3.677  -5.163   2.697
  102    HA   ALA  14           HA       ALA  14  -1.578  -6.739   3.772
  103   1HB   ALA  14          1HB       ALA  14  -2.826  -6.651   1.025
  104   2HB   ALA  14          2HB       ALA  14  -1.600  -7.825   1.501
  105   3HB   ALA  14          3HB       ALA  14  -3.159  -7.795   2.325
  106    H    GLU  15           H        GLU  15  -1.735  -4.361   1.124
  107    HA   GLU  15           HA       GLU  15   0.947  -4.483   0.319
  108   1HB   GLU  15          1HB       GLU  15  -0.821  -2.024   0.412
  109   2HB   GLU  15          2HB       GLU  15   0.670  -2.177  -0.500
  110   1HG   GLU  15          1HG       GLU  15  -0.306  -3.731  -1.993
  111   2HG   GLU  15          2HG       GLU  15  -1.735  -3.889  -0.978
  112    H    ASN  16           H        ASN  16  -0.670  -2.291   2.572
  113    HA   ASN  16           HA       ASN  16   1.457  -0.827   3.497
  114   1HB   ASN  16          1HB       ASN  16  -1.101  -0.721   4.011
  115   2HB   ASN  16          2HB       ASN  16  -0.691  -1.746   5.380
  116   1HD2  ASN  16          1HD2      ASN  16  -0.348   2.147   5.726
  117   2HD2  ASN  16          2HD2      ASN  16  -1.296   1.306   4.543
  118    H    TYR  17           H        TYR  17   0.331  -3.963   4.699
  119    HA   TYR  17           HA       TYR  17   2.123  -4.200   6.857
  120   1HB   TYR  17          1HB       TYR  17   0.181  -5.656   6.635
  121   2HB   TYR  17          2HB       TYR  17   0.830  -6.335   5.147
  122    HD1  TYR  17           HD1      TYR  17   1.974  -5.821   8.681
  123    HD2  TYR  17           HD2      TYR  17   1.773  -8.427   5.320
  124    HE1  TYR  17           HE1      TYR  17   3.108  -7.574   9.975
  125    HE2  TYR  17           HE2      TYR  17   2.908 -10.184   6.609
  126    HH   TYR  17           HH       TYR  17   3.161 -10.218   9.850
  127    H    GLN  18           H        GLN  18   2.359  -5.146   3.467
  128    HA   GLN  18           HA       GLN  18   4.917  -6.392   3.750
  129   1HB   GLN  18          1HB       GLN  18   3.415  -5.454   1.305
  130   2HB   GLN  18          2HB       GLN  18   4.932  -6.338   1.248
  131   1HG   GLN  18          1HG       GLN  18   3.843  -8.207   2.435
  132   2HG   GLN  18          2HG       GLN  18   2.318  -7.323   2.364
  133   1HE2  GLN  18          1HE2      GLN  18   3.334  -9.652  -0.649
  134   2HE2  GLN  18          2HE2      GLN  18   3.988  -9.714   0.960
  135    H    LEU  19           H        LEU  19   3.802  -3.171   2.872
  136    HA   LEU  19           HA       LEU  19   6.218  -2.212   1.811
  137   1HB   LEU  19          1HB       LEU  19   4.208  -0.569   3.345
  138   2HB   LEU  19          2HB       LEU  19   5.356   0.007   2.153
  139    HG   LEU  19           HG       LEU  19   2.871  -1.629   1.695
  140   1HD1  LEU  19          1HD1      LEU  19   2.941   0.947   1.955
  141   2HD1  LEU  19          2HD1      LEU  19   3.610   0.908   0.323
  142   3HD1  LEU  19          3HD1      LEU  19   2.018   0.217   0.642
  143   1HD2  LEU  19          1HD2      LEU  19   5.070  -2.184   0.299
  144   2HD2  LEU  19          2HD2      LEU  19   3.462  -2.168  -0.421
  145   3HD2  LEU  19          3HD2      LEU  19   4.521  -0.771  -0.608
  146    H    GLU  20           H        GLU  20   4.905  -1.884   5.120
  147    HA   GLU  20           HA       GLU  20   7.150  -0.583   6.198
  148   1HB   GLU  20          1HB       GLU  20   5.075  -2.344   7.511
  149   2HB   GLU  20          2HB       GLU  20   6.299  -1.457   8.410
  150   1HG   GLU  20          1HG       GLU  20   4.275  -0.176   6.589
  151   2HG   GLU  20          2HG       GLU  20   4.073  -0.357   8.330
  152    H    GLN  21           H        GLN  21   6.341  -3.981   5.892
  153    HA   GLN  21           HA       GLN  21   8.515  -5.031   7.342
  154   1HB   GLN  21          1HB       GLN  21   6.568  -6.365   6.855
  155   2HB   GLN  21          2HB       GLN  21   6.823  -6.187   5.126
  156   1HG   GLN  21          1HG       GLN  21   8.755  -7.572   5.193
  157   2HG   GLN  21          2HG       GLN  21   8.745  -7.591   6.959
  158   1HE2  GLN  21          1HE2      GLN  21   6.584 -10.245   4.883
  159   2HE2  GLN  21          2HE2      GLN  21   7.730  -9.152   4.168
  160    H    GLU  22           H        GLU  22   8.062  -4.333   3.900
  161    HA   GLU  22           HA       GLU  22  10.576  -5.285   3.033
  162   1HB   GLU  22          1HB       GLU  22   8.464  -4.735   1.664
  163   2HB   GLU  22          2HB       GLU  22   9.017  -3.067   1.720
  164   1HG   GLU  22          1HG       GLU  22   9.748  -3.955  -0.323
  165   2HG   GLU  22          2HG       GLU  22  11.170  -3.854   0.711
  166    H    VAL  23           H        VAL  23   9.384  -2.112   4.063
  167    HA   VAL  23           HA       VAL  23  11.702  -0.623   3.514
  168    HB   VAL  23           HB       VAL  23   9.462  -0.207   5.492
  169   1HG1  VAL  23          1HG1      VAL  23  11.796   0.749   6.186
  170   2HG1  VAL  23          2HG1      VAL  23  11.468   1.936   4.926
  171   3HG1  VAL  23          3HG1      VAL  23  10.360   1.767   6.289
  172   1HG2  VAL  23          1HG2      VAL  23   9.513   0.156   2.825
  173   2HG2  VAL  23          2HG2      VAL  23   8.528   1.124   3.919
  174   3HG2  VAL  23          3HG2      VAL  23  10.088   1.735   3.356
  175    H    ALA  24           H        ALA  24  10.699  -2.388   6.436
  176    HA   ALA  24           HA       ALA  24  12.851  -1.680   8.077
  177   1HB   ALA  24          1HB       ALA  24  11.199  -4.196   7.999
  178   2HB   ALA  24          2HB       ALA  24  12.390  -3.847   9.253
  179   3HB   ALA  24          3HB       ALA  24  10.988  -2.797   9.052
  180    H    GLN  25           H        GLN  25  12.455  -4.392   5.837
  181    HA   GLN  25           HA       GLN  25  14.933  -5.627   6.288
  182   1HB   GLN  25          1HB       GLN  25  13.041  -6.668   5.062
  183   2HB   GLN  25          2HB       GLN  25  13.324  -5.565   3.725
  184   1HG   GLN  25          1HG       GLN  25  15.612  -6.520   3.504
  185   2HG   GLN  25          2HG       GLN  25  15.178  -7.713   4.723
  186   1HE2  GLN  25          1HE2      GLN  25  12.546  -8.259   1.789
  187   2HE2  GLN  25          2HE2      GLN  25  12.491  -6.964   2.932
  188    H    LEU  26           H        LEU  26  13.957  -3.259   3.800
  189    HA   LEU  26           HA       LEU  26  16.493  -3.056   2.596
  190   1HB   LEU  26          1HB       LEU  26  14.304  -0.986   2.697
  191   2HB   LEU  26          2HB       LEU  26  15.673  -0.970   1.606
  192    HG   LEU  26           HG       LEU  26  13.384  -2.927   1.617
  193   1HD1  LEU  26          1HD1      LEU  26  13.161  -0.628   0.548
  194   2HD1  LEU  26          2HD1      LEU  26  14.364  -1.174  -0.618
  195   3HD1  LEU  26          3HD1      LEU  26  12.820  -2.018  -0.481
  196   1HD2  LEU  26          1HD2      LEU  26  15.811  -3.821   1.164
  197   2HD2  LEU  26          2HD2      LEU  26  14.466  -4.295   0.124
  198   3HD2  LEU  26          3HD2      LEU  26  15.578  -3.031  -0.396
  199    H    GLU  27           H        GLU  27  14.963  -1.034   5.103
  200    HA   GLU  27           HA       GLU  27  17.032   0.833   5.387
  201   1HB   GLU  27          1HB       GLU  27  14.950  -0.210   7.295
  202   2HB   GLU  27          2HB       GLU  27  16.124   0.996   7.796
  203   1HG   GLU  27          1HG       GLU  27  14.344   1.383   5.414
  204   2HG   GLU  27          2HG       GLU  27  13.856   1.829   7.049
  205    H    HIS  28           H        HIS  28  16.529  -2.297   6.903
  206    HA   HIS  28           HA       HIS  28  18.715  -2.128   8.695
  207   1HB   HIS  28          1HB       HIS  28  16.817  -3.623   9.070
  208   2HB   HIS  28          2HB       HIS  28  17.227  -4.534   7.622
  209    HD1  HIS  28           HD1      HIS  28  19.499  -3.496  10.526
  210    HD2  HIS  28           HD2      HIS  28  18.079  -6.862   8.538
  211    HE1  HIS  28           HE1      HIS  28  20.655  -5.484  11.583
  212    H    GLU  29           H        GLU  29  18.353  -3.568   5.469
  213    HA   GLU  29           HA       GLU  29  21.031  -4.591   5.449
  214   1HB   GLU  29          1HB       GLU  29  19.034  -4.218   3.214
  215   2HB   GLU  29          2HB       GLU  29  20.577  -5.043   3.040
  216   1HG   GLU  29          1HG       GLU  29  18.366  -5.888   4.897
  217   2HG   GLU  29          2HG       GLU  29  18.686  -6.587   3.312
  218    H    CYS  30           H        CYS  30  19.472  -1.673   4.372
  219    HA   CYS  30           HA       CYS  30  21.687  -0.747   2.802
  220   1HB   CYS  30          1HB       CYS  30  19.349  -0.048   2.366
  221   2HB   CYS  30          2HB       CYS  30  19.335   0.807   3.903
  222    H    GLY  31           H        GLY  31  20.509  -0.169   6.083
  223   1HA   GLY  31          1HA       GLY  31  23.096   1.127   6.662
  224   2HA   GLY  31          2HA       GLY  31  21.588   1.803   7.264
  225   1HN   NH2  32          1HN       NH2  32  23.516  -1.156   7.303
  226   2HN   NH2  32          2HN       NH2  32  23.074  -1.630   8.910
  227   1H    ACE   0          1H        ACE   0 -21.181  -1.969   6.187
  228   2H    ACE   0          2H        ACE   0 -20.325  -2.650   4.801
  229   3H    ACE   0          3H        ACE   0 -22.074  -2.858   4.949
  230    H    GLU   1           H        GLU   1 -20.216   0.080   5.578
  231    HA   GLU   1           HA       GLU   1 -21.898   1.502   3.676
  232   1HB   GLU   1          1HB       GLU   1 -21.640   2.455   5.905
  233   2HB   GLU   1          2HB       GLU   1 -19.900   2.514   5.695
  234   1HG   GLU   1          1HG       GLU   1 -20.984   4.703   5.432
  235   2HG   GLU   1          2HG       GLU   1 -20.103   4.196   3.993
  236    H    VAL   2           H        VAL   2 -21.288   1.764   1.695
  237    HA   VAL   2           HA       VAL   2 -18.806   1.064   0.624
  238    HB   VAL   2           HB       VAL   2 -21.028   2.797  -0.477
  239   1HG1  VAL   2          1HG1      VAL   2 -18.351   2.186  -1.598
  240   2HG1  VAL   2          2HG1      VAL   2 -19.732   2.126  -2.694
  241   3HG1  VAL   2          3HG1      VAL   2 -19.371   3.609  -1.811
  242   1HG2  VAL   2          1HG2      VAL   2 -21.266   0.264  -0.079
  243   2HG2  VAL   2          2HG2      VAL   2 -21.723   0.907  -1.656
  244   3HG2  VAL   2          3HG2      VAL   2 -20.172   0.092  -1.452
  245    H    GLN   3           H        GLN   3 -20.164   4.286   1.263
  246    HA   GLN   3           HA       GLN   3 -17.961   5.801   0.465
  247   1HB   GLN   3          1HB       GLN   3 -20.241   6.672   0.971
  248   2HB   GLN   3          2HB       GLN   3 -19.916   6.437   2.682
  249   1HG   GLN   3          1HG       GLN   3 -17.852   8.000   1.396
  250   2HG   GLN   3          2HG       GLN   3 -19.449   8.719   1.199
  251   1HE2  GLN   3          1HE2      GLN   3 -19.591   9.935   4.427
  252   2HE2  GLN   3          2HE2      GLN   3 -20.223   9.893   2.817
  253    H    ALA   4           H        ALA   4 -18.742   4.347   3.563
  254    HA   ALA   4           HA       ALA   4 -16.697   5.403   5.135
  255   1HB   ALA   4          1HB       ALA   4 -18.477   3.042   5.247
  256   2HB   ALA   4          2HB       ALA   4 -17.049   3.013   6.282
  257   3HB   ALA   4          3HB       ALA   4 -18.221   4.323   6.431
  258    H    LEU   5           H        LEU   5 -16.756   2.501   3.102
  259    HA   LEU   5           HA       LEU   5 -14.130   1.674   3.840
  260   1HB   LEU   5          1HB       LEU   5 -15.854   0.869   1.496
  261   2HB   LEU   5          2HB       LEU   5 -14.356   0.079   1.955
  262    HG   LEU   5           HG       LEU   5 -16.839   0.221   3.665
  263   1HD1  LEU   5          1HD1      LEU   5 -16.083  -1.520   1.502
  264   2HD1  LEU   5          2HD1      LEU   5 -16.237  -2.422   3.009
  265   3HD1  LEU   5          3HD1      LEU   5 -17.588  -1.455   2.420
  266   1HD2  LEU   5          1HD2      LEU   5 -14.073  -0.625   4.167
  267   2HD2  LEU   5          2HD2      LEU   5 -15.343  -0.154   5.296
  268   3HD2  LEU   5          3HD2      LEU   5 -15.303  -1.794   4.649
  269    H    LYS   6           H        LYS   6 -15.458   3.700   1.310
  270    HA   LYS   6           HA       LYS   6 -13.197   3.756  -0.377
  271   1HB   LYS   6          1HB       LYS   6 -15.379   5.794   0.091
  272   2HB   LYS   6          2HB       LYS   6 -14.159   5.940  -1.169
  273   1HG   LYS   6          1HG       LYS   6 -14.942   3.913  -2.218
  274   2HG   LYS   6          2HG       LYS   6 -16.089   3.645  -0.905
  275   1HD   LYS   6          1HD       LYS   6 -17.315   4.558  -2.719
  276   2HD   LYS   6          2HD       LYS   6 -17.146   5.840  -1.522
  277   1HE   LYS   6          1HE       LYS   6 -15.416   6.892  -2.793
  278   2HE   LYS   6          2HE       LYS   6 -15.325   5.525  -3.901
  279   1HZ   LYS   6          1HZ       LYS   6 -17.950   6.369  -3.956
  280   2HZ   LYS   6          2HZ       LYS   6 -17.029   7.793  -3.996
  281   3HZ   LYS   6          3HZ       LYS   6 -16.783   6.583  -5.163
  282    H    LYS   7           H        LYS   7 -14.105   5.588   2.480
  283    HA   LYS   7           HA       LYS   7 -11.967   7.463   2.341
  284   1HB   LYS   7          1HB       LYS   7 -13.247   6.564   4.918
  285   2HB   LYS   7          2HB       LYS   7 -12.546   8.130   4.538
  286   1HG   LYS   7          1HG       LYS   7 -15.176   6.998   3.642
  287   2HG   LYS   7          2HG       LYS   7 -14.869   8.446   4.596
  288   1HD   LYS   7          1HD       LYS   7 -14.162   8.050   1.692
  289   2HD   LYS   7          2HD       LYS   7 -15.509   9.008   2.309
  290   1HE   LYS   7          1HE       LYS   7 -13.909  10.475   3.465
  291   2HE   LYS   7          2HE       LYS   7 -12.578   9.539   2.785
  292   1HZ   LYS   7          1HZ       LYS   7 -13.482  10.111   0.551
  293   2HZ   LYS   7          2HZ       LYS   7 -14.564  11.175   1.308
  294   3HZ   LYS   7          3HZ       LYS   7 -12.893  11.444   1.422
  295    H    ARG   8           H        ARG   8 -12.402   4.284   3.717
  296    HA   ARG   8           HA       ARG   8 -10.004   4.142   5.208
  297   1HB   ARG   8          1HB       ARG   8 -11.917   2.586   5.468
  298   2HB   ARG   8          2HB       ARG   8 -11.568   1.916   3.883
  299   1HG   ARG   8          1HG       ARG   8 -10.653   0.408   5.415
  300   2HG   ARG   8          2HG       ARG   8  -9.280   1.323   4.789
  301   1HD   ARG   8          1HD       ARG   8  -9.250   2.704   6.771
  302   2HD   ARG   8          2HD       ARG   8 -10.711   1.921   7.372
  303    HE   ARG   8           HE       ARG   8  -8.052   1.001   7.695
  304   1HH1  ARG   8          1HH1      ARG   8 -11.312  -0.152   7.145
  305   2HH1  ARG   8          2HH1      ARG   8 -10.979  -1.770   7.684
  306   1HH2  ARG   8          1HH2      ARG   8  -7.609  -1.107   8.451
  307   2HH2  ARG   8          2HH2      ARG   8  -8.863  -2.309   8.441
  308    H    VAL   9           H        VAL   9 -10.871   3.152   1.926
  309    HA   VAL   9           HA       VAL   9  -8.425   2.038   1.167
  310    HB   VAL   9           HB       VAL   9 -10.481   3.449  -0.546
  311   1HG1  VAL   9          1HG1      VAL   9  -8.117   3.180  -1.503
  312   2HG1  VAL   9          2HG1      VAL   9  -8.475   1.456  -1.548
  313   3HG1  VAL   9          3HG1      VAL   9  -9.471   2.591  -2.464
  314   1HG2  VAL   9          1HG2      VAL   9 -11.142   1.388   0.802
  315   2HG2  VAL   9          2HG2      VAL   9 -11.454   1.354  -0.934
  316   3HG2  VAL   9          3HG2      VAL   9 -10.065   0.491  -0.274
  317    H    GLN  10           H        GLN  10  -9.631   5.367   0.795
  318    HA   GLN  10           HA       GLN  10  -7.372   6.401  -0.514
  319   1HB   GLN  10          1HB       GLN  10  -9.393   7.777   1.258
  320   2HB   GLN  10          2HB       GLN  10  -8.204   8.617   0.274
  321   1HG   GLN  10          1HG       GLN  10 -10.354   6.791  -0.776
  322   2HG   GLN  10          2HG       GLN  10 -10.416   8.552  -0.772
  323   1HE2  GLN  10          1HE2      GLN  10  -8.743   8.851  -3.764
  324   2HE2  GLN  10          2HE2      GLN  10  -9.747   9.544  -2.532
  325    H    ALA  11           H        ALA  11  -8.170   6.205   2.933
  326    HA   ALA  11           HA       ALA  11  -5.977   7.679   3.893
  327   1HB   ALA  11          1HB       ALA  11  -8.031   7.010   5.183
  328   2HB   ALA  11          2HB       ALA  11  -7.319   5.404   5.338
  329   3HB   ALA  11          3HB       ALA  11  -6.502   6.803   6.035
  330    H    LEU  12           H        LEU  12  -6.403   4.240   3.241
  331    HA   LEU  12           HA       LEU  12  -3.852   3.450   4.183
  332   1HB   LEU  12          1HB       LEU  12  -5.855   2.144   2.369
  333   2HB   LEU  12          2HB       LEU  12  -4.317   1.399   2.724
  334    HG   LEU  12           HG       LEU  12  -6.187   2.207   4.930
  335   1HD1  LEU  12          1HD1      LEU  12  -6.691   0.213   2.947
  336   2HD1  LEU  12          2HD1      LEU  12  -6.337  -0.584   4.482
  337   3HD1  LEU  12          3HD1      LEU  12  -7.632   0.609   4.386
  338   1HD2  LEU  12          1HD2      LEU  12  -3.595   1.088   4.757
  339   2HD2  LEU  12          2HD2      LEU  12  -4.575   1.352   6.200
  340   3HD2  LEU  12          3HD2      LEU  12  -4.674  -0.182   5.335
  341    H    LYS  13           H        LYS  13  -5.136   3.898   0.884
  342    HA   LYS  13           HA       LYS  13  -2.801   3.391  -0.511
  343   1HB   LYS  13          1HB       LYS  13  -5.301   4.832  -1.052
  344   2HB   LYS  13          2HB       LYS  13  -3.939   5.342  -2.038
  345   1HG   LYS  13          1HG       LYS  13  -5.315   3.559  -3.078
  346   2HG   LYS  13          2HG       LYS  13  -3.618   3.126  -2.881
  347   1HD   LYS  13          1HD       LYS  13  -4.190   1.853  -0.858
  348   2HD   LYS  13          2HD       LYS  13  -5.888   2.280  -1.078
  349   1HE   LYS  13          1HE       LYS  13  -5.559   0.063  -1.928
  350   2HE   LYS  13          2HE       LYS  13  -5.816   1.144  -3.295
  351   1HZ   LYS  13          1HZ       LYS  13  -3.178   0.134  -2.363
  352   2HZ   LYS  13          2HZ       LYS  13  -4.026  -0.404  -3.728
  353   3HZ   LYS  13          3HZ       LYS  13  -3.429   1.177  -3.678
  354    H    ALA  14           H        ALA  14  -3.827   6.418   1.001
  355    HA   ALA  14           HA       ALA  14  -1.750   8.028  -0.046
  356   1HB   ALA  14          1HB       ALA  14  -3.292   8.300   2.538
  357   2HB   ALA  14          2HB       ALA  14  -2.240   9.539   1.852
  358   3HB   ALA  14          3HB       ALA  14  -3.691   9.037   0.985
  359    H    ARG  15           H        ARG  15  -2.000   6.142   2.949
  360    HA   ARG  15           HA       ARG  15   0.617   6.815   3.893
  361   1HB   ARG  15          1HB       ARG  15  -1.031   6.072   5.490
  362   2HB   ARG  15          2HB       ARG  15  -1.317   4.593   4.588
  363   1HG   ARG  15          1HG       ARG  15  -0.045   3.939   6.429
  364   2HG   ARG  15          2HG       ARG  15   1.105   4.005   5.094
  365   1HD   ARG  15          1HD       ARG  15   1.731   6.302   5.858
  366   2HD   ARG  15          2HD       ARG  15   0.713   6.043   7.276
  367    HE   ARG  15           HE       ARG  15   2.608   3.934   6.915
  368   1HH1  ARG  15          1HH1      ARG  15   2.168   7.152   8.236
  369   2HH1  ARG  15          2HH1      ARG  15   3.552   7.047   9.274
  370   1HH2  ARG  15          1HH2      ARG  15   4.400   3.782   8.329
  371   2HH2  ARG  15          2HH2      ARG  15   4.812   5.147   9.335
  372    H    ASN  16           H        ASN  16  -0.779   4.214   2.025
  373    HA   ASN  16           HA       ASN  16   1.433   2.498   1.886
  374   1HB   ASN  16          1HB       ASN  16  -1.011   2.950   0.204
  375   2HB   ASN  16          2HB       ASN  16   0.236   1.844  -0.341
  376   1HD2  ASN  16          1HD2      ASN  16  -1.371  -0.682   1.358
  377   2HD2  ASN  16          2HD2      ASN  16  -0.748  -0.059  -0.131
  378    H    TYR  17           H        TYR  17   0.370   5.190  -0.135
  379    HA   TYR  17           HA       TYR  17   2.228   4.935  -2.191
  380   1HB   TYR  17          1HB       TYR  17   0.249   6.505  -2.116
  381   2HB   TYR  17          2HB       TYR  17   1.227   7.566  -1.108
  382    HD1  TYR  17           HD1      TYR  17   1.544   5.697  -4.321
  383    HD2  TYR  17           HD2      TYR  17   2.347   9.289  -2.183
  384    HE1  TYR  17           HE1      TYR  17   2.563   6.661  -6.338
  385    HE2  TYR  17           HE2      TYR  17   3.364  10.265  -4.198
  386    HH   TYR  17           HH       TYR  17   3.680  10.022  -6.405
  387    H    ALA  18           H        ALA  18   2.420   6.873   0.781
  388    HA   ALA  18           HA       ALA  18   4.990   7.911   0.356
  389   1HB   ALA  18          1HB       ALA  18   3.429   8.723   2.074
  390   2HB   ALA  18          2HB       ALA  18   3.725   7.254   3.005
  391   3HB   ALA  18          3HB       ALA  18   5.039   8.393   2.717
  392    H    ALA  19           H        ALA  19   3.976   4.946   2.033
  393    HA   ALA  19           HA       ALA  19   6.570   4.135   2.822
  394   1HB   ALA  19          1HB       ALA  19   4.099   2.467   2.331
  395   2HB   ALA  19          2HB       ALA  19   5.552   1.922   3.169
  396   3HB   ALA  19          3HB       ALA  19   4.568   3.213   3.859
  397    H    LYS  20           H        LYS  20   4.676   3.599  -0.111
  398    HA   LYS  20           HA       LYS  20   6.408   1.676  -1.268
  399   1HB   LYS  20          1HB       LYS  20   4.371   3.561  -2.452
  400   2HB   LYS  20          2HB       LYS  20   5.316   2.457  -3.447
  401   1HG   LYS  20          1HG       LYS  20   4.380   0.556  -2.371
  402   2HG   LYS  20          2HG       LYS  20   3.625   1.557  -1.131
  403   1HD   LYS  20          1HD       LYS  20   2.211   2.586  -2.878
  404   2HD   LYS  20          2HD       LYS  20   2.926   1.491  -4.067
  405   1HE   LYS  20          1HE       LYS  20   2.043  -0.422  -2.931
  406   2HE   LYS  20          2HE       LYS  20   1.506   0.566  -1.573
  407   1HZ   LYS  20          1HZ       LYS  20  -0.014   1.705  -3.149
  408   2HZ   LYS  20          2HZ       LYS  20   0.427   0.582  -4.341
  409   3HZ   LYS  20          3HZ       LYS  20  -0.365   0.057  -2.933
  410    H    GLN  21           H        GLN  21   6.402   5.191  -1.200
  411    HA   GLN  21           HA       GLN  21   8.458   5.521  -3.175
  412   1HB   GLN  21          1HB       GLN  21   7.800   7.407  -0.887
  413   2HB   GLN  21          2HB       GLN  21   8.653   7.806  -2.370
  414   1HG   GLN  21          1HG       GLN  21   5.742   7.149  -2.041
  415   2HG   GLN  21          2HG       GLN  21   6.458   8.682  -2.532
  416   1HE2  GLN  21          1HE2      GLN  21   5.445   5.955  -5.228
  417   2HE2  GLN  21          2HE2      GLN  21   4.990   5.936  -3.554
  418    H    LYS  22           H        LYS  22   8.295   4.976   0.269
  419    HA   LYS  22           HA       LYS  22  11.022   5.443   0.864
  420   1HB   LYS  22          1HB       LYS  22   8.796   3.949   2.205
  421   2HB   LYS  22          2HB       LYS  22  10.438   3.730   2.780
  422   1HG   LYS  22          1HG       LYS  22  10.153   6.477   2.578
  423   2HG   LYS  22          2HG       LYS  22   8.605   5.914   3.214
  424   1HD   LYS  22          1HD       LYS  22  10.161   6.410   5.028
  425   2HD   LYS  22          2HD       LYS  22   9.776   4.690   4.979
  426   1HE   LYS  22          1HE       LYS  22  11.882   4.216   3.874
  427   2HE   LYS  22          2HE       LYS  22  12.257   5.937   3.799
  428   1HZ   LYS  22          1HZ       LYS  22  11.846   4.471   6.347
  429   2HZ   LYS  22          2HZ       LYS  22  13.373   4.697   5.640
  430   3HZ   LYS  22          3HZ       LYS  22  12.458   6.037   6.147
  431    H    VAL  23           H        VAL  23   9.184   2.549  -0.017
  432    HA   VAL  23           HA       VAL  23  11.280   0.695   0.125
  433    HB   VAL  23           HB       VAL  23   8.969   0.638  -1.824
  434   1HG1  VAL  23          1HG1      VAL  23  11.099  -1.262  -1.109
  435   2HG1  VAL  23          2HG1      VAL  23   9.475  -1.940  -1.212
  436   3HG1  VAL  23          3HG1      VAL  23  10.169  -1.101  -2.599
  437   1HG2  VAL  23          1HG2      VAL  23   9.157  -0.279   1.038
  438   2HG2  VAL  23          2HG2      VAL  23   7.995   0.841   0.326
  439   3HG2  VAL  23          3HG2      VAL  23   7.929  -0.874  -0.079
  440    H    GLN  24           H        GLN  24  10.108   2.631  -2.630
  441    HA   GLN  24           HA       GLN  24  12.044   1.628  -4.437
  442   1HB   GLN  24          1HB       GLN  24  11.253   3.234  -5.986
  443   2HB   GLN  24          2HB       GLN  24   9.857   2.720  -5.055
  444   1HG   GLN  24          1HG       GLN  24  10.071   4.746  -3.686
  445   2HG   GLN  24          2HG       GLN  24  11.397   5.274  -4.720
  446   1HE2  GLN  24          1HE2      GLN  24   9.287   6.751  -6.990
  447   2HE2  GLN  24          2HE2      GLN  24  10.836   6.643  -6.229
  448    H    ALA  25           H        ALA  25  12.046   4.285  -2.162
  449    HA   ALA  25           HA       ALA  25  14.355   5.598  -3.197
  450   1HB   ALA  25          1HB       ALA  25  12.679   5.819  -0.782
  451   2HB   ALA  25          2HB       ALA  25  14.358   6.320  -0.588
  452   3HB   ALA  25          3HB       ALA  25  13.348   7.079  -1.819
  453    H    LEU  26           H        LEU  26  13.783   3.244  -0.624
  454    HA   LEU  26           HA       LEU  26  16.478   3.001   0.200
  455   1HB   LEU  26          1HB       LEU  26  14.219   1.001   0.374
  456   2HB   LEU  26          2HB       LEU  26  15.732   0.896   1.252
  457    HG   LEU  26           HG       LEU  26  13.705   3.107   1.583
  458   1HD1  LEU  26          1HD1      LEU  26  14.196   0.573   3.110
  459   2HD1  LEU  26          2HD1      LEU  26  13.454   1.986   3.863
  460   3HD1  LEU  26          3HD1      LEU  26  12.681   1.215   2.479
  461   1HD2  LEU  26          1HD2      LEU  26  16.413   3.046   2.203
  462   2HD2  LEU  26          2HD2      LEU  26  15.209   4.173   2.826
  463   3HD2  LEU  26          3HD2      LEU  26  15.593   2.702   3.723
  464    H    ARG  27           H        ARG  27  14.532   1.417  -2.257
  465    HA   ARG  27           HA       ARG  27  16.367  -0.615  -2.944
  466   1HB   ARG  27          1HB       ARG  27  13.821   0.145  -3.768
  467   2HB   ARG  27          2HB       ARG  27  14.815   0.373  -5.200
  468   1HG   ARG  27          1HG       ARG  27  14.164  -1.802  -5.464
  469   2HG   ARG  27          2HG       ARG  27  15.695  -2.018  -4.608
  470   1HD   ARG  27          1HD       ARG  27  14.273  -1.976  -2.475
  471   2HD   ARG  27          2HD       ARG  27  12.894  -2.217  -3.547
  472    HE   ARG  27           HE       ARG  27  14.975  -4.136  -3.983
  473   1HH1  ARG  27          1HH1      ARG  27  12.190  -3.349  -2.024
  474   2HH1  ARG  27          2HH1      ARG  27  11.972  -4.975  -1.441
  475   1HH2  ARG  27          1HH2      ARG  27  14.698  -6.266  -3.239
  476   2HH2  ARG  27          2HH2      ARG  27  13.396  -6.632  -2.144
  477    H    HIS  28           H        HIS  28  15.908   2.689  -4.027
  478    HA   HIS  28           HA       HIS  28  17.826   2.579  -6.136
  479   1HB   HIS  28          1HB       HIS  28  15.859   4.173  -5.913
  480   2HB   HIS  28          2HB       HIS  28  16.824   5.051  -4.734
  481    HD1  HIS  28           HD1      HIS  28  17.352   3.836  -8.337
  482    HD2  HIS  28           HD2      HIS  28  18.124   7.079  -5.852
  483    HE1  HIS  28           HE1      HIS  28  18.489   5.579  -9.775
  484    H    LYS  29           H        LYS  29  17.877   3.761  -2.793
  485    HA   LYS  29           HA       LYS  29  20.524   4.803  -2.933
  486   1HB   LYS  29          1HB       LYS  29  18.855   5.578  -1.285
  487   2HB   LYS  29          2HB       LYS  29  18.911   4.006  -0.500
  488   1HG   LYS  29          1HG       LYS  29  21.187   4.345   0.157
  489   2HG   LYS  29          2HG       LYS  29  21.287   5.831  -0.784
  490   1HD   LYS  29          1HD       LYS  29  21.019   6.386   1.542
  491   2HD   LYS  29          2HD       LYS  29  19.543   6.814   0.677
  492   1HE   LYS  29          1HE       LYS  29  18.419   4.866   1.512
  493   2HE   LYS  29          2HE       LYS  29  19.915   4.245   2.211
  494   1HZ   LYS  29          1HZ       LYS  29  19.294   6.874   3.153
  495   2HZ   LYS  29          2HZ       LYS  29  18.047   5.779   3.495
  496   3HZ   LYS  29          3HZ       LYS  29  19.625   5.464   4.034
  497    H    CYS  30           H        CYS  30  19.182   1.688  -2.004
  498    HA   CYS  30           HA       CYS  30  21.917   0.625  -1.970
  499   1HB   CYS  30          1HB       CYS  30  19.839   0.207   0.175
  500   2HB   CYS  30          2HB       CYS  30  21.223  -0.862  -0.032
  501    H    GLY  31           H        GLY  31  18.528  -0.464  -1.627
  502   1HA   GLY  31          1HA       GLY  31  17.460  -1.758  -3.346
  503   2HA   GLY  31          2HA       GLY  31  19.042  -2.356  -3.823
  504   1HN   NH2  32          1HN       NH2  32  20.156  -3.293  -1.647
  505   2HN   NH2  32          2HN       NH2  32  19.213  -4.545  -0.910
  Start of MODEL    7
    1   1H    ACE   0          1H        ACE   0 -17.578   2.051  -6.298
    2   2H    ACE   0          2H        ACE   0 -18.598   1.380  -7.577
    3   3H    ACE   0          3H        ACE   0 -17.182   0.484  -7.013
    4    H    GLU   1           H        GLU   1 -18.837  -1.246  -6.732
    5    HA   GLU   1           HA       GLU   1 -20.788  -0.981  -4.650
    6   1HB   GLU   1          1HB       GLU   1 -20.991  -2.524  -6.621
    7   2HB   GLU   1          2HB       GLU   1 -19.732  -3.519  -5.902
    8   1HG   GLU   1          1HG       GLU   1 -21.973  -4.392  -5.465
    9   2HG   GLU   1          2HG       GLU   1 -21.124  -3.959  -3.980
   10    H    VAL   2           H        VAL   2 -20.816  -2.318  -2.697
   11    HA   VAL   2           HA       VAL   2 -18.640  -1.939  -1.036
   12    HB   VAL   2           HB       VAL   2 -20.577  -4.229  -0.715
   13   1HG1  VAL   2          1HG1      VAL   2 -18.499  -3.083   0.921
   14   2HG1  VAL   2          2HG1      VAL   2 -20.065  -3.002   1.734
   15   3HG1  VAL   2          3HG1      VAL   2 -19.442  -4.551   1.167
   16   1HG2  VAL   2          1HG2      VAL   2 -21.717  -2.052  -1.218
   17   2HG2  VAL   2          2HG2      VAL   2 -22.122  -2.765   0.343
   18   3HG2  VAL   2          3HG2      VAL   2 -20.994  -1.412   0.259
   19    H    ALA   3           H        ALA   3 -19.581  -4.973  -2.656
   20    HA   ALA   3           HA       ALA   3 -17.470  -6.560  -1.773
   21   1HB   ALA   3          1HB       ALA   3 -19.605  -6.787  -3.624
   22   2HB   ALA   3          2HB       ALA   3 -18.132  -7.337  -4.427
   23   3HB   ALA   3          3HB       ALA   3 -18.636  -8.074  -2.903
   24    H    GLN   4           H        GLN   4 -17.681  -4.416  -4.565
   25    HA   GLN   4           HA       GLN   4 -15.230  -5.093  -5.787
   26   1HB   GLN   4          1HB       GLN   4 -16.686  -2.446  -5.766
   27   2HB   GLN   4          2HB       GLN   4 -15.408  -2.893  -6.888
   28   1HG   GLN   4          1HG       GLN   4 -18.050  -4.317  -6.663
   29   2HG   GLN   4          2HG       GLN   4 -17.685  -3.057  -7.843
   30   1HE2  GLN   4          1HE2      GLN   4 -16.302  -5.276 -10.089
   31   2HE2  GLN   4          2HE2      GLN   4 -17.065  -3.760  -9.756
   32    H    LEU   5           H        LEU   5 -16.124  -2.498  -3.585
   33    HA   LEU   5           HA       LEU   5 -13.598  -1.340  -3.293
   34   1HB   LEU   5          1HB       LEU   5 -15.991  -1.408  -1.473
   35   2HB   LEU   5          2HB       LEU   5 -14.583  -0.398  -1.182
   36    HG   LEU   5           HG       LEU   5 -16.282  -0.238  -3.671
   37   1HD1  LEU   5          1HD1      LEU   5 -16.387   1.339  -1.115
   38   2HD1  LEU   5          2HD1      LEU   5 -17.103   1.885  -2.631
   39   3HD1  LEU   5          3HD1      LEU   5 -17.680   0.404  -1.869
   40   1HD2  LEU   5          1HD2      LEU   5 -14.060   1.459  -2.557
   41   2HD2  LEU   5          2HD2      LEU   5 -14.104   0.603  -4.098
   42   3HD2  LEU   5          3HD2      LEU   5 -15.149   1.998  -3.834
   43    H    GLU   6           H        GLU   6 -15.174  -3.948  -1.512
   44    HA   GLU   6           HA       GLU   6 -13.260  -4.195   0.540
   45   1HB   GLU   6          1HB       GLU   6 -15.211  -6.126  -0.704
   46   2HB   GLU   6          2HB       GLU   6 -14.112  -6.632   0.572
   47   1HG   GLU   6          1HG       GLU   6 -15.947  -4.283   0.887
   48   2HG   GLU   6          2HG       GLU   6 -16.450  -5.933   1.258
   49    H    LYS   7           H        LYS   7 -13.453  -5.605  -2.704
   50    HA   LYS   7           HA       LYS   7 -11.135  -7.245  -2.379
   51   1HB   LYS   7          1HB       LYS   7 -12.558  -6.252  -4.854
   52   2HB   LYS   7          2HB       LYS   7 -11.199  -7.367  -4.895
   53   1HG   LYS   7          1HG       LYS   7 -12.499  -8.959  -3.540
   54   2HG   LYS   7          2HG       LYS   7 -13.871  -7.849  -3.601
   55   1HD   LYS   7          1HD       LYS   7 -13.975  -8.054  -6.008
   56   2HD   LYS   7          2HD       LYS   7 -12.525  -9.060  -6.012
   57   1HE   LYS   7          1HE       LYS   7 -14.453 -10.474  -6.236
   58   2HE   LYS   7          2HE       LYS   7 -13.740 -10.732  -4.646
   59   1HZ   LYS   7          1HZ       LYS   7 -16.048  -8.932  -5.140
   60   2HZ   LYS   7          2HZ       LYS   7 -16.203 -10.550  -4.660
   61   3HZ   LYS   7          3HZ       LYS   7 -15.442  -9.432  -3.640
   62    H    GLU   8           H        GLU   8 -11.757  -3.984  -3.431
   63    HA   GLU   8           HA       GLU   8  -9.177  -3.443  -4.489
   64   1HB   GLU   8          1HB       GLU   8 -11.293  -2.182  -4.984
   65   2HB   GLU   8          2HB       GLU   8 -11.205  -1.500  -3.368
   66   1HG   GLU   8          1HG       GLU   8 -10.371   0.065  -4.974
   67   2HG   GLU   8          2HG       GLU   8  -9.057  -0.474  -3.931
   68    H    VAL   9           H        VAL   9 -10.736  -2.835  -1.361
   69    HA   VAL   9           HA       VAL   9  -8.570  -1.504  -0.145
   70    HB   VAL   9           HB       VAL   9 -10.850  -3.099   1.069
   71   1HG1  VAL   9          1HG1      VAL   9  -8.889  -3.085   2.587
   72   2HG1  VAL   9          2HG1      VAL   9  -8.869  -1.323   2.511
   73   3HG1  VAL   9          3HG1      VAL   9 -10.247  -2.160   3.227
   74   1HG2  VAL   9          1HG2      VAL   9 -11.072  -0.775  -0.179
   75   2HG2  VAL   9          2HG2      VAL   9 -11.983  -1.124   1.292
   76   3HG2  VAL   9          3HG2      VAL   9 -10.509  -0.155   1.375
   77    H    ALA  10           H        ALA  10  -9.522  -4.905  -0.283
   78    HA   ALA  10           HA       ALA  10  -7.427  -5.896   1.340
   79   1HB   ALA  10          1HB       ALA  10  -9.599  -6.986  -0.189
   80   2HB   ALA  10          2HB       ALA  10  -8.129  -7.917  -0.471
   81   3HB   ALA  10          3HB       ALA  10  -8.727  -7.691   1.171
   82    H    GLN  11           H        GLN  11  -7.673  -4.998  -1.994
   83    HA   GLN  11           HA       GLN  11  -5.358  -6.340  -2.964
   84   1HB   GLN  11          1HB       GLN  11  -7.277  -5.352  -4.347
   85   2HB   GLN  11          2HB       GLN  11  -6.550  -3.784  -4.049
   86   1HG   GLN  11          1HG       GLN  11  -5.934  -4.682  -6.234
   87   2HG   GLN  11          2HG       GLN  11  -4.531  -4.437  -5.195
   88   1HE2  GLN  11          1HE2      GLN  11  -3.429  -7.649  -5.793
   89   2HE2  GLN  11          2HE2      GLN  11  -3.093  -5.973  -5.537
   90    H    ALA  12           H        ALA  12  -6.057  -3.035  -1.939
   91    HA   ALA  12           HA       ALA  12  -3.418  -2.076  -2.214
   92   1HB   ALA  12          1HB       ALA  12  -5.863  -0.938  -1.713
   93   2HB   ALA  12          2HB       ALA  12  -4.985  -0.695  -0.203
   94   3HB   ALA  12          3HB       ALA  12  -4.309  -0.101  -1.719
   95    H    GLU  13           H        GLU  13  -5.224  -3.296   0.599
   96    HA   GLU  13           HA       GLU  13  -3.292  -2.779   2.543
   97   1HB   GLU  13          1HB       GLU  13  -5.492  -4.788   2.292
   98   2HB   GLU  13          2HB       GLU  13  -4.386  -4.869   3.656
   99   1HG   GLU  13          1HG       GLU  13  -5.953  -2.413   2.922
  100   2HG   GLU  13          2HG       GLU  13  -6.516  -3.630   4.066
  101    H    ALA  14           H        ALA  14  -3.713  -5.638   0.473
  102    HA   ALA  14           HA       ALA  14  -1.599  -7.144   1.595
  103   1HB   ALA  14          1HB       ALA  14  -3.149  -7.266  -0.948
  104   2HB   ALA  14          2HB       ALA  14  -1.668  -8.211  -0.805
  105   3HB   ALA  14          3HB       ALA  14  -2.990  -8.468   0.333
  106    H    GLU  15           H        GLU  15  -1.778  -5.093  -1.305
  107    HA   GLU  15           HA       GLU  15   0.863  -5.285  -2.138
  108   1HB   GLU  15          1HB       GLU  15  -1.364  -4.046  -3.030
  109   2HB   GLU  15          2HB       GLU  15  -0.502  -2.664  -2.375
  110   1HG   GLU  15          1HG       GLU  15   1.425  -3.222  -3.779
  111   2HG   GLU  15          2HG       GLU  15   0.510  -4.581  -4.434
  112    H    ASN  16           H        ASN  16  -0.706  -2.991   0.041
  113    HA   ASN  16           HA       ASN  16   1.426  -1.299   0.624
  114   1HB   ASN  16          1HB       ASN  16  -1.050  -1.083   1.230
  115   2HB   ASN  16          2HB       ASN  16  -0.714  -2.146   2.585
  116   1HD2  ASN  16          1HD2      ASN  16  -0.196   1.724   2.975
  117   2HD2  ASN  16          2HD2      ASN  16  -1.116   0.945   1.728
  118    H    TYR  17           H        TYR  17   0.388  -4.288   2.194
  119    HA   TYR  17           HA       TYR  17   2.221  -4.316   4.308
  120   1HB   TYR  17          1HB       TYR  17   0.249  -5.842   4.062
  121   2HB   TYR  17          2HB       TYR  17   1.119  -6.711   2.809
  122    HD1  TYR  17           HD1      TYR  17   3.437  -7.723   3.536
  123    HD2  TYR  17           HD2      TYR  17   0.384  -6.553   6.256
  124    HE1  TYR  17           HE1      TYR  17   4.417  -9.181   5.252
  125    HE2  TYR  17           HE2      TYR  17   1.360  -8.006   7.984
  126    HH   TYR  17           HH       TYR  17   3.841  -8.949   8.417
  127    H    GLN  18           H        GLN  18   2.458  -5.491   0.991
  128    HA   GLN  18           HA       GLN  18   5.034  -6.656   1.250
  129   1HB   GLN  18          1HB       GLN  18   3.599  -5.637  -1.210
  130   2HB   GLN  18          2HB       GLN  18   5.038  -6.648  -1.224
  131   1HG   GLN  18          1HG       GLN  18   3.805  -8.445  -0.147
  132   2HG   GLN  18          2HG       GLN  18   2.368  -7.427  -0.070
  133   1HE2  GLN  18          1HE2      GLN  18   3.060  -9.638  -3.287
  134   2HE2  GLN  18          2HE2      GLN  18   3.898  -9.795  -1.786
  135    H    LEU  19           H        LEU  19   3.885  -3.482   0.209
  136    HA   LEU  19           HA       LEU  19   6.334  -2.431  -0.668
  137   1HB   LEU  19          1HB       LEU  19   4.095  -0.897   0.647
  138   2HB   LEU  19          2HB       LEU  19   5.326  -0.248  -0.419
  139    HG   LEU  19           HG       LEU  19   3.050  -2.078  -1.155
  140   1HD1  LEU  19          1HD1      LEU  19   3.757   0.772  -1.722
  141   2HD1  LEU  19          2HD1      LEU  19   2.644  -0.135  -2.747
  142   3HD1  LEU  19          3HD1      LEU  19   2.270   0.110  -1.042
  143   1HD2  LEU  19          1HD2      LEU  19   5.625  -1.736  -2.423
  144   2HD2  LEU  19          2HD2      LEU  19   4.324  -2.875  -2.787
  145   3HD2  LEU  19          3HD2      LEU  19   4.296  -1.254  -3.481
  146    H    GLU  20           H        GLU  20   4.712  -1.981   2.479
  147    HA   GLU  20           HA       GLU  20   6.815  -0.584   3.697
  148   1HB   GLU  20          1HB       GLU  20   4.671  -2.328   4.918
  149   2HB   GLU  20          2HB       GLU  20   5.754  -1.302   5.849
  150   1HG   GLU  20          1HG       GLU  20   3.834  -0.332   3.743
  151   2HG   GLU  20          2HG       GLU  20   3.545  -0.292   5.482
  152    H    GLN  21           H        GLN  21   6.198  -4.029   3.353
  153    HA   GLN  21           HA       GLN  21   8.160  -4.948   5.157
  154   1HB   GLN  21          1HB       GLN  21   6.251  -6.256   4.041
  155   2HB   GLN  21          2HB       GLN  21   7.317  -6.388   2.650
  156   1HG   GLN  21          1HG       GLN  21   7.485  -8.382   3.946
  157   2HG   GLN  21          2HG       GLN  21   8.996  -7.485   4.085
  158   1HE2  GLN  21          1HE2      GLN  21   7.115  -8.598   7.371
  159   2HE2  GLN  21          2HE2      GLN  21   6.874  -9.262   5.786
  160    H    GLU  22           H        GLU  22   8.219  -4.297   1.675
  161    HA   GLU  22           HA       GLU  22  10.914  -5.076   1.280
  162   1HB   GLU  22          1HB       GLU  22   9.154  -4.888  -0.504
  163   2HB   GLU  22          2HB       GLU  22   9.278  -3.141  -0.368
  164   1HG   GLU  22          1HG       GLU  22  10.547  -3.870  -2.245
  165   2HG   GLU  22          2HG       GLU  22  11.653  -3.293  -1.003
  166    H    VAL  23           H        VAL  23   9.313  -1.986   1.928
  167    HA   VAL  23           HA       VAL  23  11.550  -0.313   1.668
  168    HB   VAL  23           HB       VAL  23   9.041  -0.051   3.330
  169   1HG1  VAL  23          1HG1      VAL  23  11.400   1.801   3.189
  170   2HG1  VAL  23          2HG1      VAL  23   9.773   2.403   3.522
  171   3HG1  VAL  23          3HG1      VAL  23  10.530   1.233   4.607
  172   1HG2  VAL  23          1HG2      VAL  23   9.993   0.941   0.693
  173   2HG2  VAL  23          2HG2      VAL  23   8.405   0.334   1.164
  174   3HG2  VAL  23          3HG2      VAL  23   8.902   1.964   1.626
  175    H    ALA  24           H        ALA  24  10.234  -2.011   4.497
  176    HA   ALA  24           HA       ALA  24  12.116  -1.117   6.378
  177   1HB   ALA  24          1HB       ALA  24   9.889  -2.563   6.581
  178   2HB   ALA  24          2HB       ALA  24  11.062  -3.880   6.626
  179   3HB   ALA  24          3HB       ALA  24  11.140  -2.587   7.824
  180    H    GLN  25           H        GLN  25  12.051  -3.990   4.323
  181    HA   GLN  25           HA       GLN  25  14.410  -5.205   5.193
  182   1HB   GLN  25          1HB       GLN  25  12.498  -5.926   3.505
  183   2HB   GLN  25          2HB       GLN  25  13.617  -5.299   2.309
  184   1HG   GLN  25          1HG       GLN  25  14.408  -7.381   4.326
  185   2HG   GLN  25          2HG       GLN  25  13.692  -7.784   2.768
  186   1HE2  GLN  25          1HE2      GLN  25  17.572  -7.366   2.979
  187   2HE2  GLN  25          2HE2      GLN  25  16.502  -7.734   4.293
  188    H    LEU  26           H        LEU  26  13.902  -2.841   2.572
  189    HA   LEU  26           HA       LEU  26  16.621  -2.744   1.797
  190   1HB   LEU  26          1HB       LEU  26  14.432  -0.697   1.415
  191   2HB   LEU  26          2HB       LEU  26  16.004  -0.626   0.647
  192    HG   LEU  26           HG       LEU  26  13.949  -2.803   0.228
  193   1HD1  LEU  26          1HD1      LEU  26  13.883  -0.278  -0.804
  194   2HD1  LEU  26          2HD1      LEU  26  14.792  -1.148  -2.041
  195   3HD1  LEU  26          3HD1      LEU  26  13.185  -1.702  -1.573
  196   1HD2  LEU  26          1HD2      LEU  26  16.327  -3.534   0.067
  197   2HD2  LEU  26          2HD2      LEU  26  15.420  -3.684  -1.438
  198   3HD2  LEU  26          3HD2      LEU  26  16.553  -2.350  -1.221
  199    H    GLU  27           H        GLU  27  14.720  -0.448   3.785
  200    HA   GLU  27           HA       GLU  27  16.835   1.280   4.419
  201   1HB   GLU  27          1HB       GLU  27  14.359   0.543   6.004
  202   2HB   GLU  27          2HB       GLU  27  15.446   1.843   6.460
  203   1HG   GLU  27          1HG       GLU  27  14.079   1.763   3.789
  204   2HG   GLU  27          2HG       GLU  27  13.327   2.472   5.218
  205    H    HIS  28           H        HIS  28  15.710  -1.628   6.111
  206    HA   HIS  28           HA       HIS  28  17.330  -1.439   8.378
  207   1HB   HIS  28          1HB       HIS  28  15.461  -2.987   8.241
  208   2HB   HIS  28          2HB       HIS  28  16.258  -3.883   6.956
  209    HD1  HIS  28           HD1      HIS  28  17.356  -2.866  10.482
  210    HD2  HIS  28           HD2      HIS  28  17.152  -6.169   7.964
  211    HE1  HIS  28           HE1      HIS  28  18.346  -4.804  11.770
  212    H    GLU  29           H        GLU  29  17.950  -3.038   5.275
  213    HA   GLU  29           HA       GLU  29  20.589  -3.870   6.086
  214   1HB   GLU  29          1HB       GLU  29  19.199  -3.947   3.401
  215   2HB   GLU  29          2HB       GLU  29  20.757  -4.689   3.747
  216   1HG   GLU  29          1HG       GLU  29  18.192  -5.390   5.160
  217   2HG   GLU  29          2HG       GLU  29  18.848  -6.269   3.778
  218    H    CYS  30           H        CYS  30  19.159  -1.187   4.511
  219    HA   CYS  30           HA       CYS  30  21.783  -0.151   3.677
  220   1HB   CYS  30          1HB       CYS  30  18.968   0.547   2.836
  221   2HB   CYS  30          2HB       CYS  30  20.381   1.433   2.299
  222    H    GLY  31           H        GLY  31  21.530   0.014   6.315
  223   1HA   GLY  31          1HA       GLY  31  22.106   2.438   7.179
  224   2HA   GLY  31          2HA       GLY  31  20.363   2.599   7.015
  225   1HN   NH2  32          1HN       NH2  32  19.329   0.366   7.940
  226   2HN   NH2  32          2HN       NH2  32  19.785   0.070   9.590
  227   1H    ACE   0          1H        ACE   0 -19.245  -2.135   6.427
  228   2H    ACE   0          2H        ACE   0 -17.722  -1.558   5.746
  229   3H    ACE   0          3H        ACE   0 -18.597  -2.878   4.966
  230    H    GLU   1           H        GLU   1 -18.577   0.570   5.637
  231    HA   GLU   1           HA       GLU   1 -20.888   1.095   3.978
  232   1HB   GLU   1          1HB       GLU   1 -20.673   2.571   5.801
  233   2HB   GLU   1          2HB       GLU   1 -18.960   2.815   5.519
  234   1HG   GLU   1          1HG       GLU   1 -20.211   4.799   4.946
  235   2HG   GLU   1          2HG       GLU   1 -19.470   4.102   3.509
  236    H    VAL   2           H        VAL   2 -20.904   1.723   1.914
  237    HA   VAL   2           HA       VAL   2 -18.850   1.188   0.148
  238    HB   VAL   2           HB       VAL   2 -21.176   3.100  -0.126
  239   1HG1  VAL   2          1HG1      VAL   2 -19.024   2.395  -2.058
  240   2HG1  VAL   2          2HG1      VAL   2 -20.663   2.651  -2.650
  241   3HG1  VAL   2          3HG1      VAL   2 -19.830   3.937  -1.775
  242   1HG2  VAL   2          1HG2      VAL   2 -20.812   0.218  -0.458
  243   2HG2  VAL   2          2HG2      VAL   2 -22.280   1.156  -0.205
  244   3HG2  VAL   2          3HG2      VAL   2 -21.602   1.003  -1.825
  245    H    GLN   3           H        GLN   3 -19.941   4.420   1.174
  246    HA   GLN   3           HA       GLN   3 -17.860   5.864  -0.009
  247   1HB   GLN   3          1HB       GLN   3 -20.011   6.795   0.881
  248   2HB   GLN   3          2HB       GLN   3 -19.358   6.618   2.504
  249   1HG   GLN   3          1HG       GLN   3 -19.110   8.885   1.793
  250   2HG   GLN   3          2HG       GLN   3 -17.524   8.133   1.905
  251   1HE2  GLN   3          1HE2      GLN   3 -18.689   9.863  -1.479
  252   2HE2  GLN   3          2HE2      GLN   3 -19.537   9.990   0.034
  253    H    ALA   4           H        ALA   4 -18.098   4.331   3.141
  254    HA   ALA   4           HA       ALA   4 -15.782   5.411   4.314
  255   1HB   ALA   4          1HB       ALA   4 -17.603   3.178   4.846
  256   2HB   ALA   4          2HB       ALA   4 -15.966   2.960   5.463
  257   3HB   ALA   4          3HB       ALA   4 -16.910   4.370   5.949
  258    H    LEU   5           H        LEU   5 -16.304   2.436   2.453
  259    HA   LEU   5           HA       LEU   5 -13.624   1.534   2.616
  260   1HB   LEU   5          1HB       LEU   5 -15.764   0.904   0.581
  261   2HB   LEU   5          2HB       LEU   5 -14.244   0.043   0.729
  262    HG   LEU   5           HG       LEU   5 -16.387   0.161   2.858
  263   1HD1  LEU   5          1HD1      LEU   5 -16.641  -1.207   0.599
  264   2HD1  LEU   5          2HD1      LEU   5 -15.613  -2.344   1.472
  265   3HD1  LEU   5          3HD1      LEU   5 -17.165  -1.858   2.152
  266   1HD2  LEU   5          1HD2      LEU   5 -13.682  -0.297   3.154
  267   2HD2  LEU   5          2HD2      LEU   5 -14.953  -0.798   4.269
  268   3HD2  LEU   5          3HD2      LEU   5 -14.367  -1.917   3.039
  269    H    LYS   6           H        LYS   6 -15.313   3.665   0.408
  270    HA   LYS   6           HA       LYS   6 -13.350   3.762  -1.620
  271   1HB   LYS   6          1HB       LYS   6 -15.406   5.802  -0.741
  272   2HB   LYS   6          2HB       LYS   6 -14.404   5.983  -2.175
  273   1HG   LYS   6          1HG       LYS   6 -15.414   4.142  -3.241
  274   2HG   LYS   6          2HG       LYS   6 -16.172   3.599  -1.744
  275   1HD   LYS   6          1HD       LYS   6 -17.824   4.634  -3.175
  276   2HD   LYS   6          2HD       LYS   6 -17.568   5.629  -1.744
  277   1HE   LYS   6          1HE       LYS   6 -16.076   7.084  -3.048
  278   2HE   LYS   6          2HE       LYS   6 -16.393   6.104  -4.480
  279   1HZ   LYS   6          1HZ       LYS   6 -18.829   6.646  -4.025
  280   2HZ   LYS   6          2HZ       LYS   6 -18.247   7.874  -3.014
  281   3HZ   LYS   6          3HZ       LYS   6 -17.854   7.882  -4.664
  282    H    LYS   7           H        LYS   7 -13.818   5.619   1.358
  283    HA   LYS   7           HA       LYS   7 -11.592   7.351   0.919
  284   1HB   LYS   7          1HB       LYS   7 -13.373   6.732   3.224
  285   2HB   LYS   7          2HB       LYS   7 -11.820   7.474   3.576
  286   1HG   LYS   7          1HG       LYS   7 -13.442   9.204   3.404
  287   2HG   LYS   7          2HG       LYS   7 -12.404   9.296   1.981
  288   1HD   LYS   7          1HD       LYS   7 -14.146   7.982   0.744
  289   2HD   LYS   7          2HD       LYS   7 -15.193   8.168   2.155
  290   1HE   LYS   7          1HE       LYS   7 -15.769   9.871   0.593
  291   2HE   LYS   7          2HE       LYS   7 -14.918  10.636   1.933
  292   1HZ   LYS   7          1HZ       LYS   7 -13.612   9.856  -0.618
  293   2HZ   LYS   7          2HZ       LYS   7 -14.227  11.407  -0.312
  294   3HZ   LYS   7          3HZ       LYS   7 -12.948  10.801   0.627
  295    H    ARG   8           H        ARG   8 -12.061   4.218   2.391
  296    HA   ARG   8           HA       ARG   8  -9.551   3.925   3.656
  297   1HB   ARG   8          1HB       ARG   8 -11.423   2.418   4.108
  298   2HB   ARG   8          2HB       ARG   8 -11.403   1.862   2.443
  299   1HG   ARG   8          1HG       ARG   8 -10.380   0.190   3.767
  300   2HG   ARG   8          2HG       ARG   8  -9.103   0.984   2.845
  301   1HD   ARG   8          1HD       ARG   8  -8.473   2.294   4.788
  302   2HD   ARG   8          2HD       ARG   8  -9.815   1.611   5.704
  303    HE   ARG   8           HE       ARG   8  -7.259   0.419   5.250
  304   1HH1  ARG   8          1HH1      ARG   8 -10.628  -0.260   5.933
  305   2HH1  ARG   8          2HH1      ARG   8 -10.327  -1.886   6.465
  306   1HH2  ARG   8          1HH2      ARG   8  -6.858  -1.716   5.955
  307   2HH2  ARG   8          2HH2      ARG   8  -8.189  -2.706   6.486
  308    H    VAL   9           H        VAL   9 -10.752   3.191   0.419
  309    HA   VAL   9           HA       VAL   9  -8.390   2.053  -0.612
  310    HB   VAL   9           HB       VAL   9 -10.645   3.482  -2.034
  311   1HG1  VAL   9          1HG1      VAL   9  -8.103   2.414  -3.035
  312   2HG1  VAL   9          2HG1      VAL   9  -9.534   1.849  -3.899
  313   3HG1  VAL   9          3HG1      VAL   9  -9.210   3.581  -3.761
  314   1HG2  VAL   9          1HG2      VAL   9 -11.253   1.412  -0.848
  315   2HG2  VAL   9          2HG2      VAL   9 -11.417   1.261  -2.597
  316   3HG2  VAL   9          3HG2      VAL   9 -10.030   0.547  -1.778
  317    H    GLN  10           H        GLN  10  -9.678   5.371  -0.821
  318    HA   GLN  10           HA       GLN  10  -7.594   6.491  -2.299
  319   1HB   GLN  10          1HB       GLN  10  -9.343   7.799  -0.212
  320   2HB   GLN  10          2HB       GLN  10  -8.331   8.663  -1.361
  321   1HG   GLN  10          1HG       GLN  10 -10.648   6.867  -2.034
  322   2HG   GLN  10          2HG       GLN  10 -10.647   8.628  -2.082
  323   1HE2  GLN  10          1HE2      GLN  10  -9.703   6.633  -5.325
  324   2HE2  GLN  10          2HE2      GLN  10 -10.583   6.029  -3.968
  325    H    ALA  11           H        ALA  11  -7.881   5.947   1.166
  326    HA   ALA  11           HA       ALA  11  -5.564   7.432   1.890
  327   1HB   ALA  11          1HB       ALA  11  -7.625   6.316   3.273
  328   2HB   ALA  11          2HB       ALA  11  -6.315   5.191   3.634
  329   3HB   ALA  11          3HB       ALA  11  -6.131   6.906   4.004
  330    H    LEU  12           H        LEU  12  -6.211   3.981   1.414
  331    HA   LEU  12           HA       LEU  12  -3.617   3.055   1.926
  332   1HB   LEU  12          1HB       LEU  12  -5.901   1.959   0.314
  333   2HB   LEU  12          2HB       LEU  12  -4.368   1.123   0.392
  334    HG   LEU  12           HG       LEU  12  -5.905   1.840   2.876
  335   1HD1  LEU  12          1HD1      LEU  12  -6.144  -0.593   1.112
  336   2HD1  LEU  12          2HD1      LEU  12  -6.629  -0.585   2.808
  337   3HD1  LEU  12          3HD1      LEU  12  -7.429   0.486   1.658
  338   1HD2  LEU  12          1HD2      LEU  12  -3.452   0.371   2.188
  339   2HD2  LEU  12          2HD2      LEU  12  -3.912   1.175   3.690
  340   3HD2  LEU  12          3HD2      LEU  12  -4.511  -0.446   3.338
  341    H    LYS  13           H        LYS  13  -5.202   3.861  -1.178
  342    HA   LYS  13           HA       LYS  13  -3.020   3.229  -2.813
  343   1HB   LYS  13          1HB       LYS  13  -5.180   5.299  -3.249
  344   2HB   LYS  13          2HB       LYS  13  -4.048   4.773  -4.484
  345   1HG   LYS  13          1HG       LYS  13  -6.361   3.336  -3.290
  346   2HG   LYS  13          2HG       LYS  13  -5.873   3.487  -4.979
  347   1HD   LYS  13          1HD       LYS  13  -3.809   2.087  -4.219
  348   2HD   LYS  13          2HD       LYS  13  -4.851   1.645  -2.864
  349   1HE   LYS  13          1HE       LYS  13  -5.155  -0.038  -4.479
  350   2HE   LYS  13          2HE       LYS  13  -6.588   0.983  -4.570
  351   1HZ   LYS  13          1HZ       LYS  13  -4.509   1.851  -6.343
  352   2HZ   LYS  13          2HZ       LYS  13  -4.998   0.255  -6.655
  353   3HZ   LYS  13          3HZ       LYS  13  -6.139   1.508  -6.673
  354    H    ALA  14           H        ALA  14  -3.740   6.167  -1.007
  355    HA   ALA  14           HA       ALA  14  -1.709   7.756  -2.202
  356   1HB   ALA  14          1HB       ALA  14  -3.687   8.537  -0.775
  357   2HB   ALA  14          2HB       ALA  14  -2.683   8.120   0.615
  358   3HB   ALA  14          3HB       ALA  14  -2.137   9.344  -0.532
  359    H    ARG  15           H        ARG  15  -1.820   5.576   0.551
  360    HA   ARG  15           HA       ARG  15   0.873   6.134   1.386
  361   1HB   ARG  15          1HB       ARG  15  -0.725   5.359   3.035
  362   2HB   ARG  15          2HB       ARG  15  -1.068   3.920   2.088
  363   1HG   ARG  15          1HG       ARG  15   0.355   3.507   4.068
  364   2HG   ARG  15          2HG       ARG  15   1.097   3.015   2.547
  365   1HD   ARG  15          1HD       ARG  15   2.481   4.980   2.527
  366   2HD   ARG  15          2HD       ARG  15   1.638   5.634   3.929
  367    HE   ARG  15           HE       ARG  15   3.686   3.572   3.912
  368   1HH1  ARG  15          1HH1      ARG  15   1.197   5.236   5.739
  369   2HH1  ARG  15          2HH1      ARG  15   1.789   4.685   7.280
  370   1HH2  ARG  15          1HH2      ARG  15   4.465   2.864   5.936
  371   2HH2  ARG  15          2HH2      ARG  15   3.638   3.349   7.388
  372    H    ASN  16           H        ASN  16  -0.766   3.722  -0.565
  373    HA   ASN  16           HA       ASN  16   1.386   1.962  -0.964
  374   1HB   ASN  16          1HB       ASN  16  -1.211   2.521  -2.338
  375   2HB   ASN  16          2HB       ASN  16  -0.029   1.529  -3.172
  376   1HD2  ASN  16          1HD2      ASN  16  -1.097  -1.296  -1.524
  377   2HD2  ASN  16          2HD2      ASN  16  -0.539  -0.532  -2.972
  378    H    TYR  17           H        TYR  17   0.184   4.724  -2.821
  379    HA   TYR  17           HA       TYR  17   1.979   4.597  -4.956
  380   1HB   TYR  17          1HB       TYR  17  -0.065   6.086  -4.729
  381   2HB   TYR  17          2HB       TYR  17   0.923   7.142  -3.730
  382    HD1  TYR  17           HD1      TYR  17   1.346   5.378  -7.001
  383    HD2  TYR  17           HD2      TYR  17   1.712   9.005  -4.818
  384    HE1  TYR  17           HE1      TYR  17   2.220   6.487  -9.013
  385    HE2  TYR  17           HE2      TYR  17   2.585  10.128  -6.822
  386    HH   TYR  17           HH       TYR  17   3.534   8.382  -9.648
  387    H    ALA  18           H        ALA  18   2.196   6.364  -1.887
  388    HA   ALA  18           HA       ALA  18   4.737   7.497  -2.372
  389   1HB   ALA  18          1HB       ALA  18   2.909   7.243  -0.087
  390   2HB   ALA  18          2HB       ALA  18   4.615   7.430   0.327
  391   3HB   ALA  18          3HB       ALA  18   3.812   8.641  -0.674
  392    H    ALA  19           H        ALA  19   3.750   4.576  -0.590
  393    HA   ALA  19           HA       ALA  19   6.299   3.819   0.298
  394   1HB   ALA  19          1HB       ALA  19   4.212   2.867   1.172
  395   2HB   ALA  19          2HB       ALA  19   3.970   2.017  -0.353
  396   3HB   ALA  19          3HB       ALA  19   5.350   1.618   0.671
  397    H    LYS  20           H        LYS  20   4.614   3.208  -2.737
  398    HA   LYS  20           HA       LYS  20   6.447   1.323  -3.777
  399   1HB   LYS  20          1HB       LYS  20   4.505   3.209  -5.098
  400   2HB   LYS  20          2HB       LYS  20   5.552   2.147  -6.033
  401   1HG   LYS  20          1HG       LYS  20   4.584   0.201  -4.989
  402   2HG   LYS  20          2HG       LYS  20   3.600   1.223  -3.940
  403   1HD   LYS  20          1HD       LYS  20   2.377   2.067  -5.835
  404   2HD   LYS  20          2HD       LYS  20   3.429   1.186  -6.949
  405   1HE   LYS  20          1HE       LYS  20   2.656  -0.922  -6.072
  406   2HE   LYS  20          2HE       LYS  20   1.697  -0.096  -4.845
  407   1HZ   LYS  20          1HZ       LYS  20   0.449   0.951  -6.716
  408   2HZ   LYS  20          2HZ       LYS  20   1.253  -0.099  -7.778
  409   3HZ   LYS  20          3HZ       LYS  20   0.238  -0.724  -6.569
  410    H    GLN  21           H        GLN  21   6.326   4.846  -3.844
  411    HA   GLN  21           HA       GLN  21   8.559   5.167  -5.579
  412   1HB   GLN  21          1HB       GLN  21   7.584   7.109  -3.474
  413   2HB   GLN  21          2HB       GLN  21   8.602   7.482  -4.856
  414   1HG   GLN  21          1HG       GLN  21   5.681   6.855  -4.782
  415   2HG   GLN  21          2HG       GLN  21   6.509   8.236  -5.493
  416   1HE2  GLN  21          1HE2      GLN  21   5.491   5.210  -7.797
  417   2HE2  GLN  21          2HE2      GLN  21   4.836   5.583  -6.232
  418    H    LYS  22           H        LYS  22   8.122   4.701  -2.150
  419    HA   LYS  22           HA       LYS  22  10.749   5.335  -1.305
  420   1HB   LYS  22          1HB       LYS  22   8.496   3.715  -0.170
  421   2HB   LYS  22          2HB       LYS  22  10.086   3.596   0.566
  422   1HG   LYS  22          1HG       LYS  22   8.659   6.205   0.154
  423   2HG   LYS  22          2HG       LYS  22   8.502   5.230   1.617
  424   1HD   LYS  22          1HD       LYS  22  11.108   6.269   0.511
  425   2HD   LYS  22          2HD       LYS  22  10.195   7.031   1.814
  426   1HE   LYS  22          1HE       LYS  22  10.431   4.978   3.153
  427   2HE   LYS  22          2HE       LYS  22  11.377   4.252   1.855
  428   1HZ   LYS  22          1HZ       LYS  22  12.792   6.418   2.187
  429   2HZ   LYS  22          2HZ       LYS  22  12.119   6.358   3.747
  430   3HZ   LYS  22          3HZ       LYS  22  13.040   5.055   3.169
  431    H    VAL  23           H        VAL  23   9.184   2.256  -2.136
  432    HA   VAL  23           HA       VAL  23  11.369   0.567  -1.776
  433    HB   VAL  23           HB       VAL  23   9.243   0.301  -3.918
  434   1HG1  VAL  23          1HG1      VAL  23  11.450  -1.187  -3.734
  435   2HG1  VAL  23          2HG1      VAL  23  10.425  -2.064  -2.597
  436   3HG1  VAL  23          3HG1      VAL  23   9.896  -1.835  -4.263
  437   1HG2  VAL  23          1HG2      VAL  23   8.458   0.618  -1.478
  438   2HG2  VAL  23          2HG2      VAL  23   7.811  -0.738  -2.403
  439   3HG2  VAL  23          3HG2      VAL  23   9.093  -1.008  -1.222
  440    H    GLN  24           H        GLN  24  10.311   2.239  -4.737
  441    HA   GLN  24           HA       GLN  24  12.467   1.308  -6.317
  442   1HB   GLN  24          1HB       GLN  24  10.612   3.657  -6.676
  443   2HB   GLN  24          2HB       GLN  24  11.760   3.114  -7.891
  444   1HG   GLN  24          1HG       GLN  24   9.447   1.532  -6.784
  445   2HG   GLN  24          2HG       GLN  24   9.538   2.284  -8.376
  446   1HE2  GLN  24          1HE2      GLN  24  10.697  -1.436  -8.029
  447   2HE2  GLN  24          2HE2      GLN  24   9.605  -0.590  -6.978
  448    H    ALA  25           H        ALA  25  12.089   4.097  -4.222
  449    HA   ALA  25           HA       ALA  25  14.389   5.485  -5.231
  450   1HB   ALA  25          1HB       ALA  25  12.512   5.852  -2.970
  451   2HB   ALA  25          2HB       ALA  25  14.121   6.560  -2.792
  452   3HB   ALA  25          3HB       ALA  25  13.100   7.016  -4.161
  453    H    LEU  26           H        LEU  26  13.712   3.353  -2.513
  454    HA   LEU  26           HA       LEU  26  16.273   3.462  -1.338
  455   1HB   LEU  26          1HB       LEU  26  14.168   1.296  -1.285
  456   2HB   LEU  26          2HB       LEU  26  15.606   1.297  -0.282
  457    HG   LEU  26           HG       LEU  26  13.454   3.407  -0.204
  458   1HD1  LEU  26          1HD1      LEU  26  13.449   0.810   0.875
  459   2HD1  LEU  26          2HD1      LEU  26  13.754   1.916   2.211
  460   3HD1  LEU  26          3HD1      LEU  26  12.324   2.127   1.203
  461   1HD2  LEU  26          1HD2      LEU  26  15.918   2.939   1.453
  462   2HD2  LEU  26          2HD2      LEU  26  15.575   4.319   0.407
  463   3HD2  LEU  26          3HD2      LEU  26  14.630   4.067   1.875
  464    H    ARG  27           H        ARG  27  14.813   1.218  -3.671
  465    HA   ARG  27           HA       ARG  27  17.118  -0.398  -3.929
  466   1HB   ARG  27          1HB       ARG  27  14.570  -0.068  -5.425
  467   2HB   ARG  27          2HB       ARG  27  15.889  -0.921  -6.224
  468   1HG   ARG  27          1HG       ARG  27  15.910  -2.621  -4.656
  469   2HG   ARG  27          2HG       ARG  27  15.070  -1.650  -3.447
  470   1HD   ARG  27          1HD       ARG  27  13.006  -1.879  -4.553
  471   2HD   ARG  27          2HD       ARG  27  13.771  -2.484  -6.019
  472    HE   ARG  27           HE       ARG  27  13.027  -3.999  -3.708
  473   1HH1  ARG  27          1HH1      ARG  27  15.171  -3.887  -6.487
  474   2HH1  ARG  27          2HH1      ARG  27  15.639  -5.554  -6.338
  475   1HH2  ARG  27          1HH2      ARG  27  13.649  -6.181  -3.523
  476   2HH2  ARG  27          2HH2      ARG  27  14.781  -6.854  -4.667
  477    H    HIS  28           H        HIS  28  16.311   2.674  -5.190
  478    HA   HIS  28           HA       HIS  28  18.147   2.573  -7.426
  479   1HB   HIS  28          1HB       HIS  28  16.050   3.959  -7.399
  480   2HB   HIS  28          2HB       HIS  28  16.785   4.962  -6.158
  481    HD1  HIS  28           HD1      HIS  28  16.088   6.639  -8.379
  482    HD2  HIS  28           HD2      HIS  28  19.552   4.340  -8.523
  483    HE1  HIS  28           HE1      HIS  28  17.577   7.698 -10.129
  484    H    LYS  29           H        LYS  29  17.971   4.017  -4.224
  485    HA   LYS  29           HA       LYS  29  20.548   5.246  -4.312
  486   1HB   LYS  29          1HB       LYS  29  18.683   6.045  -2.888
  487   2HB   LYS  29          2HB       LYS  29  18.776   4.559  -1.960
  488   1HG   LYS  29          1HG       LYS  29  21.115   5.181  -1.348
  489   2HG   LYS  29          2HG       LYS  29  20.829   6.747  -2.111
  490   1HD   LYS  29          1HD       LYS  29  20.448   6.869   0.301
  491   2HD   LYS  29          2HD       LYS  29  18.950   7.141  -0.591
  492   1HE   LYS  29          1HE       LYS  29  18.368   4.757  -0.236
  493   2HE   LYS  29          2HE       LYS  29  19.807   4.591   0.767
  494   1HZ   LYS  29          1HZ       LYS  29  18.829   6.469   2.132
  495   2HZ   LYS  29          2HZ       LYS  29  17.378   6.196   1.295
  496   3HZ   LYS  29          3HZ       LYS  29  18.053   4.962   2.246
  497    H    CYS  30           H        CYS  30  19.220   2.375  -2.753
  498    HA   CYS  30           HA       CYS  30  21.854   1.124  -2.709
  499   1HB   CYS  30          1HB       CYS  30  21.766   2.245  -0.565
  500   2HB   CYS  30          2HB       CYS  30  20.143   1.646  -0.264
  501    H    GLY  31           H        GLY  31  20.957  -0.278  -4.276
  502   1HA   GLY  31          1HA       GLY  31  18.574  -1.795  -3.586
  503   2HA   GLY  31          2HA       GLY  31  19.471  -1.888  -5.095
  504   1HN   NH2  32          1HN       NH2  32  18.501  -3.859  -2.956
  505   2HN   NH2  32          2HN       NH2  32  19.886  -4.864  -2.687
  Start of MODEL    8
    1   1H    ACE   0          1H        ACE   0 -18.489   1.667  -7.673
    2   2H    ACE   0          2H        ACE   0 -17.445   0.242  -7.645
    3   3H    ACE   0          3H        ACE   0 -17.113   1.602  -6.566
    4    H    GLU   1           H        GLU   1 -18.765  -1.344  -6.958
    5    HA   GLU   1           HA       GLU   1 -20.767  -0.966  -4.949
    6   1HB   GLU   1          1HB       GLU   1 -20.961  -2.633  -6.793
    7   2HB   GLU   1          2HB       GLU   1 -19.640  -3.543  -6.075
    8   1HG   GLU   1          1HG       GLU   1 -21.829  -4.495  -5.538
    9   2HG   GLU   1          2HG       GLU   1 -20.953  -3.969  -4.100
   10    H    VAL   2           H        VAL   2 -20.820  -2.146  -2.901
   11    HA   VAL   2           HA       VAL   2 -18.645  -1.653  -1.258
   12    HB   VAL   2           HB       VAL   2 -20.761  -3.762  -0.806
   13   1HG1  VAL   2          1HG1      VAL   2 -18.531  -3.343   0.669
   14   2HG1  VAL   2          2HG1      VAL   2 -19.666  -2.241   1.450
   15   3HG1  VAL   2          3HG1      VAL   2 -20.053  -3.957   1.319
   16   1HG2  VAL   2          1HG2      VAL   2 -20.973  -0.910  -0.999
   17   2HG2  VAL   2          2HG2      VAL   2 -22.239  -2.108  -0.710
   18   3HG2  VAL   2          3HG2      VAL   2 -21.339  -1.430   0.648
   19    H    ALA   3           H        ALA   3 -19.662  -4.804  -2.597
   20    HA   ALA   3           HA       ALA   3 -17.594  -6.361  -1.579
   21   1HB   ALA   3          1HB       ALA   3 -19.655  -7.178  -2.732
   22   2HB   ALA   3          2HB       ALA   3 -18.895  -6.753  -4.265
   23   3HB   ALA   3          3HB       ALA   3 -18.169  -7.984  -3.233
   24    H    GLN   4           H        GLN   4 -17.691  -4.412  -4.515
   25    HA   GLN   4           HA       GLN   4 -15.220  -5.272  -5.605
   26   1HB   GLN   4          1HB       GLN   4 -16.573  -2.594  -5.927
   27   2HB   GLN   4          2HB       GLN   4 -15.371  -3.287  -7.005
   28   1HG   GLN   4          1HG       GLN   4 -18.099  -4.453  -6.512
   29   2HG   GLN   4          2HG       GLN   4 -17.682  -3.412  -7.871
   30   1HE2  GLN   4          1HE2      GLN   4 -16.616  -6.042  -9.810
   31   2HE2  GLN   4          2HE2      GLN   4 -17.234  -4.433  -9.669
   32    H    LEU   5           H        LEU   5 -16.146  -2.551  -3.560
   33    HA   LEU   5           HA       LEU   5 -13.566  -1.410  -3.408
   34   1HB   LEU   5          1HB       LEU   5 -16.023  -1.199  -1.697
   35   2HB   LEU   5          2HB       LEU   5 -14.558  -0.306  -1.326
   36    HG   LEU   5           HG       LEU   5 -16.112  -0.075  -3.906
   37   1HD1  LEU   5          1HD1      LEU   5 -17.062   0.788  -1.584
   38   2HD1  LEU   5          2HD1      LEU   5 -15.979   2.135  -1.937
   39   3HD1  LEU   5          3HD1      LEU   5 -17.251   1.704  -3.079
   40   1HD2  LEU   5          1HD2      LEU   5 -13.686   1.316  -2.814
   41   2HD2  LEU   5          2HD2      LEU   5 -13.899   0.532  -4.377
   42   3HD2  LEU   5          3HD2      LEU   5 -14.710   2.061  -4.039
   43    H    GLU   6           H        GLU   6 -15.267  -3.818  -1.494
   44    HA   GLU   6           HA       GLU   6 -13.419  -4.026   0.628
   45   1HB   GLU   6          1HB       GLU   6 -15.442  -5.917  -0.554
   46   2HB   GLU   6          2HB       GLU   6 -14.407  -6.405   0.778
   47   1HG   GLU   6          1HG       GLU   6 -16.156  -3.970   0.895
   48   2HG   GLU   6          2HG       GLU   6 -16.714  -5.573   1.370
   49    H    LYS   7           H        LYS   7 -13.678  -5.749  -2.483
   50    HA   LYS   7           HA       LYS   7 -11.431  -7.411  -1.956
   51   1HB   LYS   7          1HB       LYS   7 -11.646  -8.186  -4.196
   52   2HB   LYS   7          2HB       LYS   7 -13.266  -7.982  -3.537
   53   1HG   LYS   7          1HG       LYS   7 -13.601  -5.999  -4.729
   54   2HG   LYS   7          2HG       LYS   7 -11.891  -5.904  -5.130
   55   1HD   LYS   7          1HD       LYS   7 -13.196  -6.647  -7.063
   56   2HD   LYS   7          2HD       LYS   7 -12.109  -7.925  -6.512
   57   1HE   LYS   7          1HE       LYS   7 -13.968  -8.964  -5.292
   58   2HE   LYS   7          2HE       LYS   7 -15.052  -7.700  -5.871
   59   1HZ   LYS   7          1HZ       LYS   7 -13.878  -8.692  -8.132
   60   2HZ   LYS   7          2HZ       LYS   7 -14.160 -10.069  -7.185
   61   3HZ   LYS   7          3HZ       LYS   7 -15.447  -9.039  -7.578
   62    H    GLU   8           H        GLU   8 -11.842  -4.224  -3.130
   63    HA   GLU   8           HA       GLU   8  -9.242  -4.009  -4.339
   64   1HB   GLU   8          1HB       GLU   8 -11.091  -2.634  -5.133
   65   2HB   GLU   8          2HB       GLU   8 -11.283  -1.925  -3.535
   66   1HG   GLU   8          1HG       GLU   8 -10.155  -0.387  -4.960
   67   2HG   GLU   8          2HG       GLU   8  -9.038  -0.955  -3.726
   68    H    VAL   9           H        VAL   9 -10.778  -3.164  -1.279
   69    HA   VAL   9           HA       VAL   9  -8.630  -1.762  -0.115
   70    HB   VAL   9           HB       VAL   9 -10.909  -3.328   1.118
   71   1HG1  VAL   9          1HG1      VAL   9  -8.470  -2.478   2.386
   72   2HG1  VAL   9          2HG1      VAL   9  -9.847  -1.601   3.055
   73   3HG1  VAL   9          3HG1      VAL   9  -9.834  -3.364   3.068
   74   1HG2  VAL   9          1HG2      VAL   9 -10.585  -0.662   0.115
   75   2HG2  VAL   9          2HG2      VAL   9 -12.035  -1.455   0.725
   76   3HG2  VAL   9          3HG2      VAL   9 -10.958  -0.613   1.837
   77    H    ALA  10           H        ALA  10  -9.590  -5.157  -0.035
   78    HA   ALA  10           HA       ALA  10  -7.473  -6.071   1.584
   79   1HB   ALA  10          1HB       ALA  10  -9.522  -7.368   1.180
   80   2HB   ALA  10          2HB       ALA  10  -9.027  -7.602  -0.496
   81   3HB   ALA  10          3HB       ALA  10  -8.067  -8.296   0.811
   82    H    GLN  11           H        GLN  11  -7.724  -5.357  -1.807
   83    HA   GLN  11           HA       GLN  11  -5.377  -6.753  -2.639
   84   1HB   GLN  11          1HB       GLN  11  -7.385  -5.841  -4.056
   85   2HB   GLN  11          2HB       GLN  11  -6.465  -4.346  -4.067
   86   1HG   GLN  11          1HG       GLN  11  -5.903  -5.470  -6.050
   87   2HG   GLN  11          2HG       GLN  11  -4.527  -5.666  -4.968
   88   1HE2  GLN  11          1HE2      GLN  11  -6.655  -9.053  -4.730
   89   2HE2  GLN  11          2HE2      GLN  11  -7.187  -7.546  -4.062
   90    H    ALA  12           H        ALA  12  -6.141  -3.396  -1.830
   91    HA   ALA  12           HA       ALA  12  -3.551  -2.364  -2.262
   92   1HB   ALA  12          1HB       ALA  12  -5.497  -0.909  -2.129
   93   2HB   ALA  12          2HB       ALA  12  -5.699  -1.326  -0.425
   94   3HB   ALA  12          3HB       ALA  12  -4.269  -0.436  -0.954
   95    H    GLU  13           H        GLU  13  -5.189  -3.543   0.646
   96    HA   GLU  13           HA       GLU  13  -3.111  -3.068   2.470
   97   1HB   GLU  13          1HB       GLU  13  -5.443  -4.942   2.393
   98   2HB   GLU  13          2HB       GLU  13  -4.229  -5.141   3.646
   99   1HG   GLU  13          1HG       GLU  13  -5.752  -2.599   3.129
  100   2HG   GLU  13          2HG       GLU  13  -6.196  -3.806   4.333
  101    H    ALA  14           H        ALA  14  -3.721  -5.729   0.244
  102    HA   ALA  14           HA       ALA  14  -1.779  -7.507   1.251
  103   1HB   ALA  14          1HB       ALA  14  -3.656  -7.799  -0.591
  104   2HB   ALA  14          2HB       ALA  14  -2.315  -7.429  -1.673
  105   3HB   ALA  14          3HB       ALA  14  -2.210  -8.806  -0.579
  106    H    GLU  15           H        GLU  15  -1.621  -5.041  -1.315
  107    HA   GLU  15           HA       GLU  15   1.120  -5.440  -1.906
  108   1HB   GLU  15          1HB       GLU  15  -0.711  -3.087  -2.320
  109   2HB   GLU  15          2HB       GLU  15   0.980  -3.052  -2.791
  110   1HG   GLU  15          1HG       GLU  15   0.507  -5.084  -4.193
  111   2HG   GLU  15          2HG       GLU  15  -1.200  -4.793  -3.869
  112    H    ASN  16           H        ASN  16  -0.600  -3.040   0.018
  113    HA   ASN  16           HA       ASN  16   1.460  -1.508   0.985
  114   1HB   ASN  16          1HB       ASN  16  -1.033  -1.219   1.328
  115   2HB   ASN  16          2HB       ASN  16  -0.924  -2.406   2.616
  116   1HD2  ASN  16          1HD2      ASN  16  -0.202   1.408   3.370
  117   2HD2  ASN  16          2HD2      ASN  16  -0.953   0.804   1.927
  118    H    TYR  17           H        TYR  17   0.144  -4.469   2.427
  119    HA   TYR  17           HA       TYR  17   1.759  -4.626   4.684
  120   1HB   TYR  17          1HB       TYR  17  -0.262  -6.047   4.119
  121   2HB   TYR  17          2HB       TYR  17   0.783  -6.983   3.060
  122    HD1  TYR  17           HD1      TYR  17   1.014  -5.682   6.560
  123    HD2  TYR  17           HD2      TYR  17   1.386  -9.011   3.940
  124    HE1  TYR  17           HE1      TYR  17   1.645  -7.103   8.466
  125    HE2  TYR  17           HE2      TYR  17   2.020 -10.441   5.834
  126    HH   TYR  17           HH       TYR  17   2.993  -9.278   8.776
  127    H    GLN  18           H        GLN  18   2.361  -5.691   1.380
  128    HA   GLN  18           HA       GLN  18   4.860  -6.963   2.015
  129   1HB   GLN  18          1HB       GLN  18   3.640  -6.175  -0.636
  130   2HB   GLN  18          2HB       GLN  18   5.094  -7.145  -0.449
  131   1HG   GLN  18          1HG       GLN  18   3.830  -8.889   0.642
  132   2HG   GLN  18          2HG       GLN  18   2.367  -7.906   0.570
  133   1HE2  GLN  18          1HE2      GLN  18   1.474  -9.173  -2.510
  134   2HE2  GLN  18          2HE2      GLN  18   1.035  -8.471  -0.987
  135    H    LEU  19           H        LEU  19   3.849  -3.896   0.564
  136    HA   LEU  19           HA       LEU  19   6.338  -2.936  -0.233
  137   1HB   LEU  19          1HB       LEU  19   4.149  -1.227   0.939
  138   2HB   LEU  19          2HB       LEU  19   5.398  -0.724  -0.179
  139    HG   LEU  19           HG       LEU  19   3.016  -2.470  -0.759
  140   1HD1  LEU  19          1HD1      LEU  19   2.803   0.041  -0.632
  141   2HD1  LEU  19          2HD1      LEU  19   3.849   0.106  -2.050
  142   3HD1  LEU  19          3HD1      LEU  19   2.289  -0.713  -2.142
  143   1HD2  LEU  19          1HD2      LEU  19   5.569  -2.517  -2.024
  144   2HD2  LEU  19          2HD2      LEU  19   4.109  -3.423  -2.425
  145   3HD2  LEU  19          3HD2      LEU  19   4.383  -1.830  -3.134
  146    H    GLU  20           H        GLU  20   4.685  -2.465   2.893
  147    HA   GLU  20           HA       GLU  20   6.681  -0.885   4.051
  148   1HB   GLU  20          1HB       GLU  20   4.775  -2.774   5.444
  149   2HB   GLU  20          2HB       GLU  20   5.681  -1.478   6.215
  150   1HG   GLU  20          1HG       GLU  20   4.500   0.081   4.576
  151   2HG   GLU  20          2HG       GLU  20   3.412  -1.270   4.267
  152    H    GLN  21           H        GLN  21   6.349  -4.391   3.895
  153    HA   GLN  21           HA       GLN  21   8.499  -4.961   5.664
  154   1HB   GLN  21          1HB       GLN  21   7.299  -6.625   3.440
  155   2HB   GLN  21          2HB       GLN  21   8.431  -7.226   4.646
  156   1HG   GLN  21          1HG       GLN  21   6.808  -6.699   6.409
  157   2HG   GLN  21          2HG       GLN  21   5.673  -6.141   5.181
  158   1HE2  GLN  21          1HE2      GLN  21   4.442  -9.286   4.489
  159   2HE2  GLN  21          2HE2      GLN  21   4.330  -7.560   4.337
  160    H    GLU  22           H        GLU  22   8.207  -4.661   2.166
  161    HA   GLU  22           HA       GLU  22  10.880  -5.290   1.512
  162   1HB   GLU  22          1HB       GLU  22   8.940  -5.272  -0.073
  163   2HB   GLU  22          2HB       GLU  22   8.945  -3.518   0.001
  164   1HG   GLU  22          1HG       GLU  22  10.691  -3.333  -1.383
  165   2HG   GLU  22          2HG       GLU  22  11.512  -4.733  -0.701
  166    H    VAL  23           H        VAL  23   9.210  -2.248   2.192
  167    HA   VAL  23           HA       VAL  23  11.382  -0.511   1.709
  168    HB   VAL  23           HB       VAL  23   8.884  -0.247   3.376
  169   1HG1  VAL  23          1HG1      VAL  23  11.292   1.306   3.666
  170   2HG1  VAL  23          2HG1      VAL  23   9.977   2.314   3.054
  171   3HG1  VAL  23          3HG1      VAL  23   9.774   1.417   4.559
  172   1HG2  VAL  23          1HG2      VAL  23   9.760   0.479   0.675
  173   2HG2  VAL  23          2HG2      VAL  23   8.142   0.170   1.302
  174   3HG2  VAL  23          3HG2      VAL  23   8.892   1.750   1.533
  175    H    ALA  24           H        ALA  24  10.207  -2.067   4.692
  176    HA   ALA  24           HA       ALA  24  12.058  -0.972   6.474
  177   1HB   ALA  24          1HB       ALA  24  10.096  -2.276   7.179
  178   2HB   ALA  24          2HB       ALA  24  10.862  -3.740   6.566
  179   3HB   ALA  24          3HB       ALA  24  11.584  -2.868   7.917
  180    H    GLN  25           H        GLN  25  12.272  -3.859   4.435
  181    HA   GLN  25           HA       GLN  25  14.757  -4.778   5.378
  182   1HB   GLN  25          1HB       GLN  25  13.180  -6.103   3.989
  183   2HB   GLN  25          2HB       GLN  25  13.585  -5.097   2.607
  184   1HG   GLN  25          1HG       GLN  25  15.886  -5.866   2.699
  185   2HG   GLN  25          2HG       GLN  25  15.522  -6.831   4.128
  186   1HE2  GLN  25          1HE2      GLN  25  14.495  -9.565   2.313
  187   2HE2  GLN  25          2HE2      GLN  25  15.060  -8.872   3.798
  188    H    LEU  26           H        LEU  26  13.942  -2.689   2.613
  189    HA   LEU  26           HA       LEU  26  16.602  -2.284   1.772
  190   1HB   LEU  26          1HB       LEU  26  14.198  -0.498   1.403
  191   2HB   LEU  26          2HB       LEU  26  15.718  -0.332   0.552
  192    HG   LEU  26           HG       LEU  26  13.878  -2.718   0.342
  193   1HD1  LEU  26          1HD1      LEU  26  13.051  -0.560  -0.665
  194   2HD1  LEU  26          2HD1      LEU  26  14.454  -0.614  -1.731
  195   3HD1  LEU  26          3HD1      LEU  26  13.247  -1.899  -1.794
  196   1HD2  LEU  26          1HD2      LEU  26  16.626  -2.401  -0.287
  197   2HD2  LEU  26          2HD2      LEU  26  15.577  -3.783  -0.604
  198   3HD2  LEU  26          3HD2      LEU  26  15.723  -2.489  -1.799
  199    H    GLU  27           H        GLU  27  14.509  -0.386   3.924
  200    HA   GLU  27           HA       GLU  27  16.289   1.743   4.401
  201   1HB   GLU  27          1HB       GLU  27  14.065   0.557   6.065
  202   2HB   GLU  27          2HB       GLU  27  14.959   1.980   6.568
  203   1HG   GLU  27          1HG       GLU  27  13.540   1.847   3.933
  204   2HG   GLU  27          2HG       GLU  27  12.722   2.325   5.419
  205    H    HIS  28           H        HIS  28  15.859  -1.353   6.005
  206    HA   HIS  28           HA       HIS  28  17.654  -0.854   8.144
  207   1HB   HIS  28          1HB       HIS  28  15.827  -2.477   8.279
  208   2HB   HIS  28          2HB       HIS  28  16.587  -3.457   7.036
  209    HD1  HIS  28           HD1      HIS  28  17.934  -2.035  10.339
  210    HD2  HIS  28           HD2      HIS  28  17.564  -5.598   8.227
  211    HE1  HIS  28           HE1      HIS  28  19.039  -3.823  11.755
  212    H    GLU  29           H        GLU  29  18.042  -2.318   4.951
  213    HA   GLU  29           HA       GLU  29  20.755  -3.124   5.570
  214   1HB   GLU  29          1HB       GLU  29  19.139  -3.295   3.031
  215   2HB   GLU  29          2HB       GLU  29  20.790  -3.882   3.183
  216   1HG   GLU  29          1HG       GLU  29  18.434  -4.855   4.789
  217   2HG   GLU  29          2HG       GLU  29  19.138  -5.674   3.395
  218    H    CYS  30           H        CYS  30  19.144  -0.511   3.943
  219    HA   CYS  30           HA       CYS  30  21.592   0.448   2.721
  220   1HB   CYS  30          1HB       CYS  30  19.484   0.749   1.532
  221   2HB   CYS  30          2HB       CYS  30  18.842   1.695   2.869
  222    H    GLY  31           H        GLY  31  19.557   1.267   5.483
  223   1HA   GLY  31          1HA       GLY  31  21.528   3.335   6.212
  224   2HA   GLY  31          2HA       GLY  31  19.853   3.323   6.744
  225   1HN   NH2  32          1HN       NH2  32  21.824   0.460   6.675
  226   2HN   NH2  32          2HN       NH2  32  21.951   0.264   8.391
  227   1H    ACE   0          1H        ACE   0 -17.786  -1.693   5.952
  228   2H    ACE   0          2H        ACE   0 -18.887  -0.803   7.009
  229   3H    ACE   0          3H        ACE   0 -17.448  -0.008   6.364
  230    H    GLU   1           H        GLU   1 -19.026   1.614   5.608
  231    HA   GLU   1           HA       GLU   1 -20.825   0.851   3.491
  232   1HB   GLU   1          1HB       GLU   1 -21.205   3.335   3.311
  233   2HB   GLU   1          2HB       GLU   1 -21.619   2.615   4.859
  234   1HG   GLU   1          1HG       GLU   1 -19.494   3.431   5.769
  235   2HG   GLU   1          2HG       GLU   1 -19.125   4.169   4.211
  236    H    VAL   2           H        VAL   2 -20.800   2.172   1.437
  237    HA   VAL   2           HA       VAL   2 -18.517   1.585  -0.067
  238    HB   VAL   2           HB       VAL   2 -20.876   3.391  -0.552
  239   1HG1  VAL   2          1HG1      VAL   2 -18.345   3.715  -1.779
  240   2HG1  VAL   2          2HG1      VAL   2 -19.438   3.013  -2.974
  241   3HG1  VAL   2          3HG1      VAL   2 -19.866   4.517  -2.168
  242   1HG2  VAL   2          1HG2      VAL   2 -20.980   0.851  -0.695
  243   2HG2  VAL   2          2HG2      VAL   2 -21.563   1.754  -2.092
  244   3HG2  VAL   2          3HG2      VAL   2 -19.974   1.002  -2.136
  245    H    GLN   3           H        GLN   3 -19.697   4.670   1.215
  246    HA   GLN   3           HA       GLN   3 -17.588   6.292   0.357
  247   1HB   GLN   3          1HB       GLN   3 -19.753   7.088   1.293
  248   2HB   GLN   3          2HB       GLN   3 -19.223   6.567   2.885
  249   1HG   GLN   3          1HG       GLN   3 -18.880   8.894   2.759
  250   2HG   GLN   3          2HG       GLN   3 -17.297   8.127   2.672
  251   1HE2  GLN   3          1HE2      GLN   3 -18.467  10.641  -0.173
  252   2HE2  GLN   3          2HE2      GLN   3 -19.269  10.423   1.345
  253    H    ALA   4           H        ALA   4 -17.975   4.271   3.196
  254    HA   ALA   4           HA       ALA   4 -15.702   5.122   4.610
  255   1HB   ALA   4          1HB       ALA   4 -17.642   2.952   4.784
  256   2HB   ALA   4          2HB       ALA   4 -16.038   2.517   5.379
  257   3HB   ALA   4          3HB       ALA   4 -16.888   3.906   6.065
  258    H    LEU   5           H        LEU   5 -16.247   2.441   2.376
  259    HA   LEU   5           HA       LEU   5 -13.626   1.403   2.525
  260   1HB   LEU   5          1HB       LEU   5 -15.753   1.093   0.416
  261   2HB   LEU   5          2HB       LEU   5 -14.263   0.169   0.462
  262    HG   LEU   5           HG       LEU   5 -16.355   0.147   2.636
  263   1HD1  LEU   5          1HD1      LEU   5 -16.254  -1.202   0.105
  264   2HD1  LEU   5          2HD1      LEU   5 -16.146  -2.364   1.427
  265   3HD1  LEU   5          3HD1      LEU   5 -17.503  -1.244   1.347
  266   1HD2  LEU   5          1HD2      LEU   5 -13.666  -0.576   2.709
  267   2HD2  LEU   5          2HD2      LEU   5 -14.920  -1.017   3.869
  268   3HD2  LEU   5          3HD2      LEU   5 -14.544  -2.094   2.525
  269    H    LYS   6           H        LYS   6 -15.095   3.859   0.476
  270    HA   LYS   6           HA       LYS   6 -13.015   3.968  -1.434
  271   1HB   LYS   6          1HB       LYS   6 -14.970   6.084  -0.518
  272   2HB   LYS   6          2HB       LYS   6 -13.882   6.280  -1.888
  273   1HG   LYS   6          1HG       LYS   6 -14.932   4.430  -3.036
  274   2HG   LYS   6          2HG       LYS   6 -15.963   4.117  -1.640
  275   1HD   LYS   6          1HD       LYS   6 -17.258   5.305  -3.252
  276   2HD   LYS   6          2HD       LYS   6 -16.914   6.412  -1.924
  277   1HE   LYS   6          1HE       LYS   6 -15.102   7.413  -3.226
  278   2HE   LYS   6          2HE       LYS   6 -15.429   6.296  -4.550
  279   1HZ   LYS   6          1HZ       LYS   6 -17.602   8.006  -3.548
  280   2HZ   LYS   6          2HZ       LYS   6 -16.430   8.681  -4.571
  281   3HZ   LYS   6          3HZ       LYS   6 -17.364   7.368  -5.102
  282    H    LYS   7           H        LYS   7 -13.541   5.604   1.651
  283    HA   LYS   7           HA       LYS   7 -11.229   7.249   1.484
  284   1HB   LYS   7          1HB       LYS   7 -13.160   6.489   3.611
  285   2HB   LYS   7          2HB       LYS   7 -11.591   7.087   4.137
  286   1HG   LYS   7          1HG       LYS   7 -13.266   8.865   4.008
  287   2HG   LYS   7          2HG       LYS   7 -11.925   9.140   2.898
  288   1HD   LYS   7          1HD       LYS   7 -13.391   8.031   1.125
  289   2HD   LYS   7          2HD       LYS   7 -14.718   8.226   2.272
  290   1HE   LYS   7          1HE       LYS   7 -14.366  10.622   2.323
  291   2HE   LYS   7          2HE       LYS   7 -12.971  10.466   1.256
  292   1HZ   LYS   7          1HZ       LYS   7 -15.626   9.498   0.407
  293   2HZ   LYS   7          2HZ       LYS   7 -15.218  11.133   0.259
  294   3HZ   LYS   7          3HZ       LYS   7 -14.305   9.957  -0.547
  295    H    ARG   8           H        ARG   8 -11.881   4.017   2.651
  296    HA   ARG   8           HA       ARG   8  -9.423   3.525   3.949
  297   1HB   ARG   8          1HB       ARG   8 -11.465   2.100   4.144
  298   2HB   ARG   8          2HB       ARG   8 -11.221   1.574   2.487
  299   1HG   ARG   8          1HG       ARG   8 -10.296  -0.169   3.617
  300   2HG   ARG   8          2HG       ARG   8  -8.870   0.848   3.398
  301   1HD   ARG   8          1HD       ARG   8  -8.929   1.597   5.617
  302   2HD   ARG   8          2HD       ARG   8 -10.589   1.056   5.848
  303    HE   ARG   8           HE       ARG   8  -9.829  -1.064   6.290
  304   1HH1  ARG   8          1HH1      ARG   8  -7.145   0.909   5.173
  305   2HH1  ARG   8          2HH1      ARG   8  -5.969  -0.344   5.452
  306   1HH2  ARG   8          1HH2      ARG   8  -8.260  -2.682   6.660
  307   2HH2  ARG   8          2HH2      ARG   8  -6.590  -2.349   6.283
  308    H    VAL   9           H        VAL   9 -10.586   2.948   0.657
  309    HA   VAL   9           HA       VAL   9  -8.258   1.800  -0.386
  310    HB   VAL   9           HB       VAL   9 -10.452   3.351  -1.767
  311   1HG1  VAL   9          1HG1      VAL   9  -7.903   2.367  -2.802
  312   2HG1  VAL   9          2HG1      VAL   9  -9.301   1.767  -3.688
  313   3HG1  VAL   9          3HG1      VAL   9  -9.052   3.504  -3.511
  314   1HG2  VAL   9          1HG2      VAL   9  -9.948   0.483  -1.148
  315   2HG2  VAL   9          2HG2      VAL   9 -11.449   1.408  -1.078
  316   3HG2  VAL   9          3HG2      VAL   9 -10.800   0.897  -2.636
  317    H    GLN  10           H        GLN  10  -9.335   5.204  -0.405
  318    HA   GLN  10           HA       GLN  10  -7.108   6.175  -1.828
  319   1HB   GLN  10          1HB       GLN  10  -8.871   7.647   0.134
  320   2HB   GLN  10          2HB       GLN  10  -7.765   8.397  -1.010
  321   1HG   GLN  10          1HG       GLN  10 -10.155   6.714  -1.717
  322   2HG   GLN  10          2HG       GLN  10 -10.067   8.470  -1.796
  323   1HE2  GLN  10          1HE2      GLN  10  -7.324   7.657  -4.414
  324   2HE2  GLN  10          2HE2      GLN  10  -7.144   7.989  -2.728
  325    H    ALA  11           H        ALA  11  -7.671   5.756   1.649
  326    HA   ALA  11           HA       ALA  11  -5.325   7.073   2.518
  327   1HB   ALA  11          1HB       ALA  11  -7.464   5.764   3.745
  328   2HB   ALA  11          2HB       ALA  11  -6.034   4.847   4.221
  329   3HB   ALA  11          3HB       ALA  11  -6.117   6.577   4.545
  330    H    LEU  12           H        LEU  12  -6.023   3.764   1.573
  331    HA   LEU  12           HA       LEU  12  -3.456   2.710   2.172
  332   1HB   LEU  12          1HB       LEU  12  -5.724   1.768   0.440
  333   2HB   LEU  12          2HB       LEU  12  -4.211   0.895   0.518
  334    HG   LEU  12           HG       LEU  12  -5.760   1.524   3.009
  335   1HD1  LEU  12          1HD1      LEU  12  -7.275   0.347   1.469
  336   2HD1  LEU  12          2HD1      LEU  12  -6.072  -0.925   1.276
  337   3HD1  LEU  12          3HD1      LEU  12  -6.820  -0.655   2.847
  338   1HD2  LEU  12          1HD2      LEU  12  -3.635  -0.440   2.199
  339   2HD2  LEU  12          2HD2      LEU  12  -3.555   0.809   3.441
  340   3HD2  LEU  12          3HD2      LEU  12  -4.572  -0.610   3.683
  341    H    LYS  13           H        LYS  13  -5.013   3.783  -0.836
  342    HA   LYS  13           HA       LYS  13  -2.899   3.332  -2.591
  343   1HB   LYS  13          1HB       LYS  13  -5.349   4.936  -2.569
  344   2HB   LYS  13          2HB       LYS  13  -4.072   5.649  -3.544
  345   1HG   LYS  13          1HG       LYS  13  -5.602   4.190  -4.822
  346   2HG   LYS  13          2HG       LYS  13  -3.915   3.686  -4.900
  347   1HD   LYS  13          1HD       LYS  13  -4.346   1.977  -3.205
  348   2HD   LYS  13          2HD       LYS  13  -6.034   2.486  -3.114
  349   1HE   LYS  13          1HE       LYS  13  -6.402   1.843  -5.403
  350   2HE   LYS  13          2HE       LYS  13  -4.693   1.476  -5.617
  351   1HZ   LYS  13          1HZ       LYS  13  -6.167   0.082  -3.508
  352   2HZ   LYS  13          2HZ       LYS  13  -6.423  -0.397  -5.113
  353   3HZ   LYS  13          3HZ       LYS  13  -4.860  -0.453  -4.442
  354    H    ALA  14           H        ALA  14  -3.572   6.136  -0.537
  355    HA   ALA  14           HA       ALA  14  -1.524   7.787  -1.523
  356   1HB   ALA  14          1HB       ALA  14  -2.814   7.680   1.200
  357   2HB   ALA  14          2HB       ALA  14  -1.707   8.950   0.679
  358   3HB   ALA  14          3HB       ALA  14  -3.248   8.728  -0.150
  359    H    ARG  15           H        ARG  15  -1.553   5.439   1.142
  360    HA   ARG  15           HA       ARG  15   1.193   5.883   1.832
  361   1HB   ARG  15          1HB       ARG  15  -0.560   4.950   3.380
  362   2HB   ARG  15          2HB       ARG  15  -0.509   3.460   2.448
  363   1HG   ARG  15          1HG       ARG  15   0.865   3.042   4.274
  364   2HG   ARG  15          2HG       ARG  15   1.992   3.426   2.972
  365   1HD   ARG  15          1HD       ARG  15   2.115   5.746   3.810
  366   2HD   ARG  15          2HD       ARG  15   1.056   5.299   5.148
  367    HE   ARG  15           HE       ARG  15   3.414   3.663   4.952
  368   1HH1  ARG  15          1HH1      ARG  15   2.078   6.640   6.244
  369   2HH1  ARG  15          2HH1      ARG  15   3.280   6.771   7.494
  370   1HH2  ARG  15          1HH2      ARG  15   5.011   3.869   6.528
  371   2HH2  ARG  15          2HH2      ARG  15   4.983   5.216   7.637
  372    H    ASN  16           H        ASN  16  -0.565   3.517  -0.084
  373    HA   ASN  16           HA       ASN  16   1.520   1.767  -0.696
  374   1HB   ASN  16          1HB       ASN  16  -1.104   2.470  -1.946
  375   2HB   ASN  16          2HB       ASN  16   0.015   1.477  -2.858
  376   1HD2  ASN  16          1HD2      ASN  16  -1.119  -1.380  -1.298
  377   2HD2  ASN  16          2HD2      ASN  16  -0.591  -0.570  -2.726
  378    H    TYR  17           H        TYR  17   0.335   4.660  -2.355
  379    HA   TYR  17           HA       TYR  17   2.030   4.555  -4.585
  380   1HB   TYR  17          1HB       TYR  17   0.002   6.100  -4.110
  381   2HB   TYR  17          2HB       TYR  17   1.161   7.131  -3.281
  382    HD1  TYR  17           HD1      TYR  17   3.294   7.783  -4.709
  383    HD2  TYR  17           HD2      TYR  17  -0.391   6.445  -6.357
  384    HE1  TYR  17           HE1      TYR  17   3.880   8.830  -6.855
  385    HE2  TYR  17           HE2      TYR  17   0.184   7.486  -8.506
  386    HH   TYR  17           HH       TYR  17   2.431   9.770  -8.902
  387    H    ALA  18           H        ALA  18   2.394   6.294  -1.498
  388    HA   ALA  18           HA       ALA  18   4.944   7.350  -2.001
  389   1HB   ALA  18          1HB       ALA  18   3.515   6.722   0.568
  390   2HB   ALA  18          2HB       ALA  18   5.084   7.524   0.506
  391   3HB   ALA  18          3HB       ALA  18   3.678   8.282  -0.237
  392    H    ALA  19           H        ALA  19   3.947   4.342  -0.414
  393    HA   ALA  19           HA       ALA  19   6.525   3.493   0.330
  394   1HB   ALA  19          1HB       ALA  19   3.985   2.553   0.736
  395   2HB   ALA  19          2HB       ALA  19   4.679   1.330  -0.332
  396   3HB   ALA  19          3HB       ALA  19   5.472   1.719   1.195
  397    H    LYS  20           H        LYS  20   4.613   2.917  -2.609
  398    HA   LYS  20           HA       LYS  20   6.411   1.120  -3.812
  399   1HB   LYS  20          1HB       LYS  20   4.292   2.940  -4.930
  400   2HB   LYS  20          2HB       LYS  20   5.288   1.931  -5.975
  401   1HG   LYS  20          1HG       LYS  20   4.499  -0.065  -4.884
  402   2HG   LYS  20          2HG       LYS  20   3.596   0.888  -3.709
  403   1HD   LYS  20          1HD       LYS  20   2.196   1.768  -5.538
  404   2HD   LYS  20          2HD       LYS  20   3.088   0.757  -6.681
  405   1HE   LYS  20          1HE       LYS  20   2.367  -1.247  -5.479
  406   2HE   LYS  20          2HE       LYS  20   1.495  -0.252  -4.317
  407   1HZ   LYS  20          1HZ       LYS  20   0.088   0.533  -6.160
  408   2HZ   LYS  20          2HZ       LYS  20   0.896  -0.521  -7.217
  409   3HZ   LYS  20          3HZ       LYS  20  -0.020  -1.147  -5.934
  410    H    GLN  21           H        GLN  21   6.405   4.594  -3.558
  411    HA   GLN  21           HA       GLN  21   8.442   4.946  -5.581
  412   1HB   GLN  21          1HB       GLN  21   7.739   6.922  -3.397
  413   2HB   GLN  21          2HB       GLN  21   8.520   7.257  -4.931
  414   1HG   GLN  21          1HG       GLN  21   5.643   6.570  -4.437
  415   2HG   GLN  21          2HG       GLN  21   6.312   8.070  -5.077
  416   1HE2  GLN  21          1HE2      GLN  21   5.122   5.233  -7.538
  417   2HE2  GLN  21          2HE2      GLN  21   4.700   5.384  -5.862
  418    H    LYS  22           H        LYS  22   8.213   4.794  -2.078
  419    HA   LYS  22           HA       LYS  22  10.898   5.298  -1.470
  420   1HB   LYS  22          1HB       LYS  22   8.691   3.843  -0.057
  421   2HB   LYS  22          2HB       LYS  22  10.329   3.739   0.571
  422   1HG   LYS  22          1HG       LYS  22  10.375   6.238   0.632
  423   2HG   LYS  22          2HG       LYS  22   8.660   6.214   0.214
  424   1HD   LYS  22          1HD       LYS  22   8.868   6.431   2.595
  425   2HD   LYS  22          2HD       LYS  22   8.241   4.824   2.227
  426   1HE   LYS  22          1HE       LYS  22   9.877   4.559   3.924
  427   2HE   LYS  22          2HE       LYS  22  10.597   3.973   2.427
  428   1HZ   LYS  22          1HZ       LYS  22  11.646   6.227   2.221
  429   2HZ   LYS  22          2HZ       LYS  22  11.121   6.550   3.797
  430   3HZ   LYS  22          3HZ       LYS  22  12.220   5.287   3.513
  431    H    VAL  23           H        VAL  23   9.204   2.247  -2.153
  432    HA   VAL  23           HA       VAL  23  11.297   0.480  -1.720
  433    HB   VAL  23           HB       VAL  23   9.152   0.318  -3.852
  434   1HG1  VAL  23          1HG1      VAL  23  11.336  -1.531  -3.074
  435   2HG1  VAL  23          2HG1      VAL  23   9.760  -2.233  -3.441
  436   3HG1  VAL  23          3HG1      VAL  23  10.591  -1.254  -4.648
  437   1HG2  VAL  23          1HG2      VAL  23   8.929   0.149  -1.080
  438   2HG2  VAL  23          2HG2      VAL  23   7.742  -0.379  -2.270
  439   3HG2  VAL  23          3HG2      VAL  23   8.919  -1.525  -1.634
  440    H    GLN  24           H        GLN  24  10.431   2.098  -4.788
  441    HA   GLN  24           HA       GLN  24  12.655   1.100  -6.211
  442   1HB   GLN  24          1HB       GLN  24  10.935   3.530  -6.720
  443   2HB   GLN  24          2HB       GLN  24  12.100   2.877  -7.862
  444   1HG   GLN  24          1HG       GLN  24   9.658   1.459  -6.813
  445   2HG   GLN  24          2HG       GLN  24   9.833   2.191  -8.406
  446   1HE2  GLN  24          1HE2      GLN  24  11.150  -0.662  -9.808
  447   2HE2  GLN  24          2HE2      GLN  24  10.337   0.858  -9.971
  448    H    ALA  25           H        ALA  25  12.125   4.049  -4.360
  449    HA   ALA  25           HA       ALA  25  14.519   5.371  -5.081
  450   1HB   ALA  25          1HB       ALA  25  12.508   5.665  -2.921
  451   2HB   ALA  25          2HB       ALA  25  14.078   6.434  -2.688
  452   3HB   ALA  25          3HB       ALA  25  13.094   6.847  -4.093
  453    H    LEU  26           H        LEU  26  13.713   3.267  -2.335
  454    HA   LEU  26           HA       LEU  26  16.244   3.406  -1.086
  455   1HB   LEU  26          1HB       LEU  26  14.230   1.160  -0.982
  456   2HB   LEU  26          2HB       LEU  26  15.534   1.431   0.155
  457    HG   LEU  26           HG       LEU  26  13.191   3.291  -0.253
  458   1HD1  LEU  26          1HD1      LEU  26  13.639   0.974   1.530
  459   2HD1  LEU  26          2HD1      LEU  26  12.869   2.401   2.225
  460   3HD1  LEU  26          3HD1      LEU  26  12.145   1.602   0.830
  461   1HD2  LEU  26          1HD2      LEU  26  15.715   3.689   0.963
  462   2HD2  LEU  26          2HD2      LEU  26  14.325   4.773   0.935
  463   3HD2  LEU  26          3HD2      LEU  26  14.504   3.603   2.242
  464    H    ARG  27           H        ARG  27  14.849   1.221  -3.492
  465    HA   ARG  27           HA       ARG  27  17.012  -0.593  -3.592
  466   1HB   ARG  27          1HB       ARG  27  14.762   0.081  -5.460
  467   2HB   ARG  27          2HB       ARG  27  16.054  -0.984  -5.998
  468   1HG   ARG  27          1HG       ARG  27  15.484  -2.624  -4.470
  469   2HG   ARG  27          2HG       ARG  27  14.580  -1.500  -3.452
  470   1HD   ARG  27          1HD       ARG  27  12.857  -2.553  -4.495
  471   2HD   ARG  27          2HD       ARG  27  13.125  -1.238  -5.621
  472    HE   ARG  27           HE       ARG  27  13.603  -4.054  -6.071
  473   1HH1  ARG  27          1HH1      ARG  27  14.110  -0.790  -7.230
  474   2HH1  ARG  27          2HH1      ARG  27  14.692  -1.292  -8.786
  475   1HH2  ARG  27          1HH2      ARG  27  14.307  -4.730  -8.112
  476   2HH2  ARG  27          2HH2      ARG  27  14.761  -3.547  -9.306
  477    H    HIS  28           H        HIS  28  16.365   2.458  -5.171
  478    HA   HIS  28           HA       HIS  28  18.541   2.306  -7.028
  479   1HB   HIS  28          1HB       HIS  28  16.452   3.671  -7.342
  480   2HB   HIS  28          2HB       HIS  28  17.018   4.736  -6.065
  481    HD1  HIS  28           HD1      HIS  28  16.589   6.286  -8.457
  482    HD2  HIS  28           HD2      HIS  28  20.078   4.065  -8.003
  483    HE1  HIS  28           HE1      HIS  28  18.294   7.297 -10.031
  484    H    LYS  29           H        LYS  29  17.972   3.938  -3.931
  485    HA   LYS  29           HA       LYS  29  20.444   5.267  -3.773
  486   1HB   LYS  29          1HB       LYS  29  18.496   5.883  -2.418
  487   2HB   LYS  29          2HB       LYS  29  18.605   4.359  -1.551
  488   1HG   LYS  29          1HG       LYS  29  20.739   5.007  -0.612
  489   2HG   LYS  29          2HG       LYS  29  20.721   6.502  -1.548
  490   1HD   LYS  29          1HD       LYS  29  20.047   6.907   0.760
  491   2HD   LYS  29          2HD       LYS  29  18.714   7.233  -0.349
  492   1HE   LYS  29          1HE       LYS  29  17.669   5.145   0.200
  493   2HE   LYS  29          2HE       LYS  29  19.064   4.646   1.155
  494   1HZ   LYS  29          1HZ       LYS  29  18.554   6.741   2.519
  495   2HZ   LYS  29          2HZ       LYS  29  17.023   6.676   1.789
  496   3HZ   LYS  29          3HZ       LYS  29  17.569   5.378   2.733
  497    H    CYS  30           H        CYS  30  19.430   2.070  -2.697
  498    HA   CYS  30           HA       CYS  30  22.252   1.357  -2.395
  499   1HB   CYS  30          1HB       CYS  30  20.130   0.858  -0.300
  500   2HB   CYS  30          2HB       CYS  30  21.693   0.050  -0.318
  501    H    GLY  31           H        GLY  31  19.025  -0.101  -1.956
  502   1HA   GLY  31          1HA       GLY  31  18.086  -1.726  -3.403
  503   2HA   GLY  31          2HA       GLY  31  19.693  -2.049  -4.040
  504   1HN   NH2  32          1HN       NH2  32  19.226  -4.291  -3.720
  505   2HN   NH2  32          2HN       NH2  32  19.385  -5.001  -2.144
  Start of MODEL    9
    1   1H    ACE   0          1H        ACE   0 -18.835   1.449  -6.464
    2   2H    ACE   0          2H        ACE   0 -17.517   0.307  -6.184
    3   3H    ACE   0          3H        ACE   0 -17.575   1.828  -5.289
    4    H    GLU   1           H        GLU   1 -19.156  -1.298  -5.730
    5    HA   GLU   1           HA       GLU   1 -20.987  -0.995  -3.570
    6   1HB   GLU   1          1HB       GLU   1 -21.360  -2.565  -5.432
    7   2HB   GLU   1          2HB       GLU   1 -19.969  -3.504  -4.923
    8   1HG   GLU   1          1HG       GLU   1 -21.966  -4.609  -4.212
    9   2HG   GLU   1          2HG       GLU   1 -21.118  -3.991  -2.797
   10    H    VAL   2           H        VAL   2 -20.940  -2.119  -1.536
   11    HA   VAL   2           HA       VAL   2 -18.665  -1.767  -0.024
   12    HB   VAL   2           HB       VAL   2 -20.751  -3.867   0.562
   13   1HG1  VAL   2          1HG1      VAL   2 -18.576  -3.596   1.941
   14   2HG1  VAL   2          2HG1      VAL   2 -19.369  -2.159   2.585
   15   3HG1  VAL   2          3HG1      VAL   2 -20.122  -3.744   2.778
   16   1HG2  VAL   2          1HG2      VAL   2 -21.786  -1.694  -0.036
   17   2HG2  VAL   2          2HG2      VAL   2 -22.073  -2.169   1.637
   18   3HG2  VAL   2          3HG2      VAL   2 -20.865  -0.940   1.268
   19    H    ALA   3           H        ALA   3 -19.855  -4.847  -1.379
   20    HA   ALA   3           HA       ALA   3 -17.815  -6.505  -0.467
   21   1HB   ALA   3          1HB       ALA   3 -20.018  -7.085  -1.673
   22   2HB   ALA   3          2HB       ALA   3 -19.075  -6.907  -3.153
   23   3HB   ALA   3          3HB       ALA   3 -18.610  -8.109  -1.950
   24    H    GLN   4           H        GLN   4 -17.998  -4.601  -3.439
   25    HA   GLN   4           HA       GLN   4 -15.605  -5.502  -4.624
   26   1HB   GLN   4          1HB       GLN   4 -16.835  -2.762  -4.867
   27   2HB   GLN   4          2HB       GLN   4 -15.774  -3.545  -6.031
   28   1HG   GLN   4          1HG       GLN   4 -18.562  -4.432  -5.311
   29   2HG   GLN   4          2HG       GLN   4 -18.099  -3.558  -6.770
   30   1HE2  GLN   4          1HE2      GLN   4 -17.254  -6.396  -8.521
   31   2HE2  GLN   4          2HE2      GLN   4 -17.576  -4.694  -8.491
   32    H    LEU   5           H        LEU   5 -16.364  -2.711  -2.609
   33    HA   LEU   5           HA       LEU   5 -13.804  -1.592  -2.499
   34   1HB   LEU   5          1HB       LEU   5 -16.151  -1.471  -0.635
   35   2HB   LEU   5          2HB       LEU   5 -14.691  -0.532  -0.376
   36    HG   LEU   5           HG       LEU   5 -16.413  -0.343  -2.848
   37   1HD1  LEU   5          1HD1      LEU   5 -16.842   0.687  -0.220
   38   2HD1  LEU   5          2HD1      LEU   5 -16.515   2.020  -1.329
   39   3HD1  LEU   5          3HD1      LEU   5 -17.825   0.889  -1.670
   40   1HD2  LEU   5          1HD2      LEU   5 -14.027   1.174  -1.836
   41   2HD2  LEU   5          2HD2      LEU   5 -14.245   0.369  -3.390
   42   3HD2  LEU   5          3HD2      LEU   5 -15.135   1.848  -3.031
   43    H    GLU   6           H        GLU   6 -15.377  -4.023  -0.460
   44    HA   GLU   6           HA       GLU   6 -13.404  -4.181   1.536
   45   1HB   GLU   6          1HB       GLU   6 -15.375  -6.197   0.471
   46   2HB   GLU   6          2HB       GLU   6 -14.246  -6.600   1.756
   47   1HG   GLU   6          1HG       GLU   6 -16.186  -4.313   1.911
   48   2HG   GLU   6          2HG       GLU   6 -16.538  -5.939   2.492
   49    H    LYS   7           H        LYS   7 -13.753  -5.871  -1.561
   50    HA   LYS   7           HA       LYS   7 -11.430  -7.489  -1.241
   51   1HB   LYS   7          1HB       LYS   7 -12.921  -6.638  -3.725
   52   2HB   LYS   7          2HB       LYS   7 -11.617  -7.819  -3.711
   53   1HG   LYS   7          1HG       LYS   7 -12.930  -9.253  -2.236
   54   2HG   LYS   7          2HG       LYS   7 -14.239  -8.070  -2.248
   55   1HD   LYS   7          1HD       LYS   7 -13.150  -9.510  -4.669
   56   2HD   LYS   7          2HD       LYS   7 -14.641  -9.926  -3.816
   57   1HE   LYS   7          1HE       LYS   7 -15.595  -7.769  -4.374
   58   2HE   LYS   7          2HE       LYS   7 -14.080  -7.270  -5.130
   59   1HZ   LYS   7          1HZ       LYS   7 -15.818  -9.502  -6.048
   60   2HZ   LYS   7          2HZ       LYS   7 -15.700  -7.976  -6.772
   61   3HZ   LYS   7          3HZ       LYS   7 -14.362  -9.015  -6.774
   62    H    GLU   8           H        GLU   8 -11.992  -4.248  -2.340
   63    HA   GLU   8           HA       GLU   8  -9.427  -3.916  -3.579
   64   1HB   GLU   8          1HB       GLU   8 -11.483  -2.623  -4.184
   65   2HB   GLU   8          2HB       GLU   8 -11.392  -1.825  -2.621
   66   1HG   GLU   8          1HG       GLU   8 -10.484  -0.363  -4.219
   67   2HG   GLU   8          2HG       GLU   8  -9.137  -0.987  -3.270
   68    H    VAL   9           H        VAL   9 -10.924  -3.076  -0.489
   69    HA   VAL   9           HA       VAL   9  -8.731  -1.695   0.618
   70    HB   VAL   9           HB       VAL   9 -11.004  -3.191   1.949
   71   1HG1  VAL   9          1HG1      VAL   9  -8.897  -3.090   3.347
   72   2HG1  VAL   9          2HG1      VAL   9  -9.081  -1.334   3.341
   73   3HG1  VAL   9          3HG1      VAL   9 -10.330  -2.351   4.061
   74   1HG2  VAL   9          1HG2      VAL   9 -10.936  -0.735   0.672
   75   2HG2  VAL   9          2HG2      VAL   9 -12.161  -1.282   1.819
   76   3HG2  VAL   9          3HG2      VAL   9 -10.789  -0.326   2.378
   77    H    ALA  10           H        ALA  10  -9.767  -5.074   0.800
   78    HA   ALA  10           HA       ALA  10  -7.644  -5.997   2.401
   79   1HB   ALA  10          1HB       ALA  10  -9.606  -7.307   0.569
   80   2HB   ALA  10          2HB       ALA  10  -8.250  -8.241   1.204
   81   3HB   ALA  10          3HB       ALA  10  -9.398  -7.489   2.310
   82    H    GLN  11           H        GLN  11  -7.885  -5.259  -0.971
   83    HA   GLN  11           HA       GLN  11  -5.599  -6.732  -1.835
   84   1HB   GLN  11          1HB       GLN  11  -7.537  -5.791  -3.270
   85   2HB   GLN  11          2HB       GLN  11  -6.689  -4.258  -3.162
   86   1HG   GLN  11          1HG       GLN  11  -6.133  -5.361  -5.227
   87   2HG   GLN  11          2HG       GLN  11  -4.711  -5.272  -4.191
   88   1HE2  GLN  11          1HE2      GLN  11  -5.799  -8.753  -5.677
   89   2HE2  GLN  11          2HE2      GLN  11  -6.310  -7.195  -6.250
   90    H    ALA  12           H        ALA  12  -6.255  -3.345  -1.075
   91    HA   ALA  12           HA       ALA  12  -3.609  -2.415  -1.405
   92   1HB   ALA  12          1HB       ALA  12  -6.126  -1.352  -0.335
   93   2HB   ALA  12          2HB       ALA  12  -4.660  -0.633   0.332
   94   3HB   ALA  12          3HB       ALA  12  -4.943  -0.609  -1.409
   95    H    GLU  13           H        GLU  13  -5.411  -3.606   1.368
   96    HA   GLU  13           HA       GLU  13  -3.572  -3.017   3.393
   97   1HB   GLU  13          1HB       GLU  13  -5.708  -5.091   3.049
   98   2HB   GLU  13          2HB       GLU  13  -4.682  -5.113   4.475
   99   1HG   GLU  13          1HG       GLU  13  -6.114  -2.612   3.705
  100   2HG   GLU  13          2HG       GLU  13  -6.988  -3.914   4.510
  101    H    ALA  14           H        ALA  14  -3.871  -5.824   1.249
  102    HA   ALA  14           HA       ALA  14  -1.809  -7.373   2.407
  103   1HB   ALA  14          1HB       ALA  14  -3.007  -7.374  -0.361
  104   2HB   ALA  14          2HB       ALA  14  -1.798  -8.542   0.175
  105   3HB   ALA  14          3HB       ALA  14  -3.368  -8.465   0.976
  106    H    GLU  15           H        GLU  15  -1.850  -5.009  -0.219
  107    HA   GLU  15           HA       GLU  15   0.870  -5.264  -0.967
  108   1HB   GLU  15          1HB       GLU  15  -1.013  -2.901  -1.180
  109   2HB   GLU  15          2HB       GLU  15   0.564  -2.989  -1.949
  110   1HG   GLU  15          1HG       GLU  15  -0.124  -4.594  -3.465
  111   2HG   GLU  15          2HG       GLU  15  -1.508  -5.062  -2.484
  112    H    ASN  16           H        ASN  16  -0.834  -2.967   1.105
  113    HA   ASN  16           HA       ASN  16   1.286  -1.417   1.962
  114   1HB   ASN  16          1HB       ASN  16  -1.225  -1.139   2.387
  115   2HB   ASN  16          2HB       ASN  16  -1.016  -2.256   3.726
  116   1HD2  ASN  16          1HD2      ASN  16  -0.343   1.593   4.240
  117   2HD2  ASN  16          2HD2      ASN  16  -1.179   0.896   2.890
  118    H    TYR  17           H        TYR  17   0.030  -4.408   3.298
  119    HA   TYR  17           HA       TYR  17   1.653  -4.651   5.533
  120   1HB   TYR  17          1HB       TYR  17  -0.241  -6.080   5.262
  121   2HB   TYR  17          2HB       TYR  17   0.367  -6.707   3.737
  122    HD1  TYR  17           HD1      TYR  17   2.151  -8.397   3.709
  123    HD2  TYR  17           HD2      TYR  17   0.556  -6.930   7.368
  124    HE1  TYR  17           HE1      TYR  17   3.164 -10.292   4.907
  125    HE2  TYR  17           HE2      TYR  17   1.567  -8.817   8.573
  126    HH   TYR  17           HH       TYR  17   2.497 -10.869   8.318
  127    H    GLN  18           H        GLN  18   2.265  -5.755   2.192
  128    HA   GLN  18           HA       GLN  18   4.817  -6.852   2.968
  129   1HB   GLN  18          1HB       GLN  18   5.121  -7.336   0.560
  130   2HB   GLN  18          2HB       GLN  18   3.642  -7.998   1.234
  131   1HG   GLN  18          1HG       GLN  18   2.572  -7.096  -0.466
  132   2HG   GLN  18          2HG       GLN  18   2.901  -5.521   0.248
  133   1HE2  GLN  18          1HE2      GLN  18   6.050  -6.044  -2.069
  134   2HE2  GLN  18          2HE2      GLN  18   5.860  -6.674  -0.471
  135    H    LEU  19           H        LEU  19   3.720  -3.792   1.717
  136    HA   LEU  19           HA       LEU  19   6.207  -2.896   0.674
  137   1HB   LEU  19          1HB       LEU  19   4.089  -1.176   1.965
  138   2HB   LEU  19          2HB       LEU  19   5.332  -0.650   0.854
  139    HG   LEU  19           HG       LEU  19   2.822  -2.184   0.266
  140   1HD1  LEU  19          1HD1      LEU  19   4.047   0.403  -0.584
  141   2HD1  LEU  19          2HD1      LEU  19   2.798  -0.379  -1.553
  142   3HD1  LEU  19          3HD1      LEU  19   2.456   0.094   0.112
  143   1HD2  LEU  19          1HD2      LEU  19   5.333  -2.647  -0.990
  144   2HD2  LEU  19          2HD2      LEU  19   3.751  -3.326  -1.381
  145   3HD2  LEU  19          3HD2      LEU  19   4.270  -1.812  -2.123
  146    H    GLU  20           H        GLU  20   4.774  -2.922   3.874
  147    HA   GLU  20           HA       GLU  20   6.670  -1.295   5.159
  148   1HB   GLU  20          1HB       GLU  20   5.028  -3.563   6.305
  149   2HB   GLU  20          2HB       GLU  20   5.857  -2.330   7.245
  150   1HG   GLU  20          1HG       GLU  20   3.687  -1.744   5.244
  151   2HG   GLU  20          2HG       GLU  20   3.416  -1.958   6.973
  152    H    GLN  21           H        GLN  21   6.535  -4.837   4.764
  153    HA   GLN  21           HA       GLN  21   8.940  -5.347   6.170
  154   1HB   GLN  21          1HB       GLN  21   7.339  -6.910   4.172
  155   2HB   GLN  21          2HB       GLN  21   8.932  -7.478   4.649
  156   1HG   GLN  21          1HG       GLN  21   7.729  -8.591   6.185
  157   2HG   GLN  21          2HG       GLN  21   7.896  -7.074   7.068
  158   1HE2  GLN  21          1HE2      GLN  21   4.506  -6.584   7.283
  159   2HE2  GLN  21          2HE2      GLN  21   6.106  -6.287   7.879
  160    H    GLU  22           H        GLU  22   8.211  -4.746   2.786
  161    HA   GLU  22           HA       GLU  22  10.788  -5.223   1.768
  162   1HB   GLU  22          1HB       GLU  22   8.588  -5.020   0.504
  163   2HB   GLU  22          2HB       GLU  22   8.777  -3.278   0.640
  164   1HG   GLU  22          1HG       GLU  22  10.482  -3.204  -0.852
  165   2HG   GLU  22          2HG       GLU  22  11.030  -4.842  -0.492
  166    H    VAL  23           H        VAL  23   9.222  -2.272   2.989
  167    HA   VAL  23           HA       VAL  23  11.427  -0.558   2.429
  168    HB   VAL  23           HB       VAL  23   9.044  -0.300   4.265
  169   1HG1  VAL  23          1HG1      VAL  23  11.517   1.048   4.608
  170   2HG1  VAL  23          2HG1      VAL  23  10.361   2.210   3.954
  171   3HG1  VAL  23          3HG1      VAL  23   9.989   1.336   5.440
  172   1HG2  VAL  23          1HG2      VAL  23   9.701   0.444   1.542
  173   2HG2  VAL  23          2HG2      VAL  23   8.134   0.397   2.349
  174   3HG2  VAL  23          3HG2      VAL  23   9.156   1.827   2.489
  175    H    ALA  24           H        ALA  24  10.380  -2.348   5.318
  176    HA   ALA  24           HA       ALA  24  12.340  -1.461   7.093
  177   1HB   ALA  24          1HB       ALA  24  10.731  -3.975   6.907
  178   2HB   ALA  24          2HB       ALA  24  11.998  -3.819   8.125
  179   3HB   ALA  24          3HB       ALA  24  10.652  -2.681   8.104
  180    H    GLN  25           H        GLN  25  12.376  -4.217   4.867
  181    HA   GLN  25           HA       GLN  25  14.856  -5.288   5.549
  182   1HB   GLN  25          1HB       GLN  25  13.237  -6.421   4.089
  183   2HB   GLN  25          2HB       GLN  25  13.507  -5.216   2.840
  184   1HG   GLN  25          1HG       GLN  25  15.869  -5.941   2.715
  185   2HG   GLN  25          2HG       GLN  25  15.503  -7.215   3.877
  186   1HE2  GLN  25          1HE2      GLN  25  14.970  -7.908   0.038
  187   2HE2  GLN  25          2HE2      GLN  25  15.944  -6.649   0.724
  188    H    LEU  26           H        LEU  26  14.082  -2.932   2.987
  189    HA   LEU  26           HA       LEU  26  16.753  -2.554   2.183
  190   1HB   LEU  26          1HB       LEU  26  14.421  -0.663   1.897
  191   2HB   LEU  26          2HB       LEU  26  15.931  -0.570   1.011
  192    HG   LEU  26           HG       LEU  26  13.918  -2.810   0.821
  193   1HD1  LEU  26          1HD1      LEU  26  14.064  -0.272  -0.473
  194   2HD1  LEU  26          2HD1      LEU  26  14.373  -1.541  -1.653
  195   3HD1  LEU  26          3HD1      LEU  26  12.888  -1.566  -0.700
  196   1HD2  LEU  26          1HD2      LEU  26  16.674  -2.813   0.254
  197   2HD2  LEU  26          2HD2      LEU  26  15.476  -4.040  -0.154
  198   3HD2  LEU  26          3HD2      LEU  26  15.834  -2.748  -1.297
  199    H    GLU  27           H        GLU  27  14.750  -0.785   4.525
  200    HA   GLU  27           HA       GLU  27  16.632   1.260   5.058
  201   1HB   GLU  27          1HB       GLU  27  14.394   0.106   6.723
  202   2HB   GLU  27          2HB       GLU  27  15.359   1.482   7.238
  203   1HG   GLU  27          1HG       GLU  27  13.953   1.500   4.604
  204   2HG   GLU  27          2HG       GLU  27  13.092   1.891   6.090
  205    H    HIS  28           H        HIS  28  16.035  -1.886   6.541
  206    HA   HIS  28           HA       HIS  28  17.932  -1.656   8.611
  207   1HB   HIS  28          1HB       HIS  28  16.125  -3.302   8.635
  208   2HB   HIS  28          2HB       HIS  28  16.818  -4.107   7.235
  209    HD1  HIS  28           HD1      HIS  28  18.484  -3.092  10.542
  210    HD2  HIS  28           HD2      HIS  28  17.739  -6.417   8.156
  211    HE1  HIS  28           HE1      HIS  28  19.619  -5.052  11.673
  212    H    GLU  29           H        GLU  29  18.150  -2.952   5.316
  213    HA   GLU  29           HA       GLU  29  20.864  -3.798   5.570
  214   1HB   GLU  29          1HB       GLU  29  19.100  -3.344   3.164
  215   2HB   GLU  29          2HB       GLU  29  20.741  -3.970   3.051
  216   1HG   GLU  29          1HG       GLU  29  18.504  -5.267   4.599
  217   2HG   GLU  29          2HG       GLU  29  18.998  -5.718   2.970
  218    H    CYS  30           H        CYS  30  19.314  -0.815   4.780
  219    HA   CYS  30           HA       CYS  30  21.757   0.357   3.679
  220   1HB   CYS  30          1HB       CYS  30  19.456   0.881   2.777
  221   2HB   CYS  30          2HB       CYS  30  19.128   1.736   4.280
  222    H    GLY  31           H        GLY  31  20.848  -0.426   6.677
  223   1HA   GLY  31          1HA       GLY  31  21.961   2.047   7.869
  224   2HA   GLY  31          2HA       GLY  31  20.831   0.979   8.698
  225   1HN   NH2  32          1HN       NH2  32  23.501  -0.147   6.763
  226   2HN   NH2  32          2HN       NH2  32  24.443  -0.783   8.059
  227   1H    ACE   0          1H        ACE   0 -18.705  -1.093   7.983
  228   2H    ACE   0          2H        ACE   0 -17.586   0.196   7.528
  229   3H    ACE   0          3H        ACE   0 -17.410  -1.414   6.825
  230    H    GLU   1           H        GLU   1 -18.764   1.657   6.445
  231    HA   GLU   1           HA       GLU   1 -20.837   0.798   4.603
  232   1HB   GLU   1          1HB       GLU   1 -21.236   3.267   4.346
  233   2HB   GLU   1          2HB       GLU   1 -21.504   2.625   5.959
  234   1HG   GLU   1          1HG       GLU   1 -19.529   3.596   6.773
  235   2HG   GLU   1          2HG       GLU   1 -18.925   3.918   5.148
  236    H    VAL   2           H        VAL   2 -20.993   2.127   2.526
  237    HA   VAL   2           HA       VAL   2 -18.865   1.454   0.838
  238    HB   VAL   2           HB       VAL   2 -21.117   3.439   0.441
  239   1HG1  VAL   2          1HG1      VAL   2 -18.754   3.120  -1.110
  240   2HG1  VAL   2          2HG1      VAL   2 -20.121   2.497  -2.038
  241   3HG1  VAL   2          3HG1      VAL   2 -20.149   4.150  -1.424
  242   1HG2  VAL   2          1HG2      VAL   2 -21.787   1.092   0.716
  243   2HG2  VAL   2          2HG2      VAL   2 -22.105   1.676  -0.918
  244   3HG2  VAL   2          3HG2      VAL   2 -20.710   0.641  -0.606
  245    H    GLN   3           H        GLN   3 -19.862   4.638   2.090
  246    HA   GLN   3           HA       GLN   3 -17.730   6.110   1.020
  247   1HB   GLN   3          1HB       GLN   3 -19.795   7.093   1.974
  248   2HB   GLN   3          2HB       GLN   3 -19.256   6.626   3.580
  249   1HG   GLN   3          1HG       GLN   3 -17.290   8.083   3.317
  250   2HG   GLN   3          2HG       GLN   3 -17.900   8.587   1.742
  251   1HE2  GLN   3          1HE2      GLN   3 -20.751   9.662   4.295
  252   2HE2  GLN   3          2HE2      GLN   3 -20.485   8.049   3.736
  253    H    ALA   4           H        ALA   4 -18.030   4.243   3.978
  254    HA   ALA   4           HA       ALA   4 -15.706   5.136   5.268
  255   1HB   ALA   4          1HB       ALA   4 -17.102   2.476   5.445
  256   2HB   ALA   4          2HB       ALA   4 -15.850   3.036   6.554
  257   3HB   ALA   4          3HB       ALA   4 -17.390   3.891   6.458
  258    H    LEU   5           H        LEU   5 -16.263   2.366   3.136
  259    HA   LEU   5           HA       LEU   5 -13.559   1.489   3.240
  260   1HB   LEU   5          1HB       LEU   5 -15.745   0.809   1.279
  261   2HB   LEU   5          2HB       LEU   5 -14.219  -0.044   1.437
  262    HG   LEU   5           HG       LEU   5 -16.361   0.138   3.563
  263   1HD1  LEU   5          1HD1      LEU   5 -16.274  -1.454   1.294
  264   2HD1  LEU   5          2HD1      LEU   5 -15.677  -2.494   2.586
  265   3HD1  LEU   5          3HD1      LEU   5 -17.254  -1.717   2.738
  266   1HD2  LEU   5          1HD2      LEU   5 -13.653  -0.259   3.912
  267   2HD2  LEU   5          2HD2      LEU   5 -14.929  -0.737   5.030
  268   3HD2  LEU   5          3HD2      LEU   5 -14.306  -1.896   3.855
  269    H    LYS   6           H        LYS   6 -15.333   3.618   1.014
  270    HA   LYS   6           HA       LYS   6 -13.409   3.609  -1.052
  271   1HB   LYS   6          1HB       LYS   6 -15.318   5.795  -0.190
  272   2HB   LYS   6          2HB       LYS   6 -14.388   5.816  -1.679
  273   1HG   LYS   6          1HG       LYS   6 -15.533   3.790  -2.425
  274   2HG   LYS   6          2HG       LYS   6 -16.473   3.782  -0.932
  275   1HD   LYS   6          1HD       LYS   6 -17.823   4.756  -2.632
  276   2HD   LYS   6          2HD       LYS   6 -17.317   6.050  -1.544
  277   1HE   LYS   6          1HE       LYS   6 -15.551   6.680  -3.108
  278   2HE   LYS   6          2HE       LYS   6 -16.036   5.378  -4.192
  279   1HZ   LYS   6          1HZ       LYS   6 -17.894   7.542  -3.387
  280   2HZ   LYS   6          2HZ       LYS   6 -16.874   7.671  -4.741
  281   3HZ   LYS   6          3HZ       LYS   6 -18.047   6.452  -4.679
  282    H    LYS   7           H        LYS   7 -13.748   5.555   1.876
  283    HA   LYS   7           HA       LYS   7 -11.493   7.199   1.293
  284   1HB   LYS   7          1HB       LYS   7 -12.666   6.640   4.024
  285   2HB   LYS   7          2HB       LYS   7 -11.659   8.004   3.565
  286   1HG   LYS   7          1HG       LYS   7 -14.539   7.500   3.021
  287   2HG   LYS   7          2HG       LYS   7 -13.737   8.957   3.603
  288   1HD   LYS   7          1HD       LYS   7 -13.617   7.870   0.789
  289   2HD   LYS   7          2HD       LYS   7 -14.596   9.236   1.329
  290   1HE   LYS   7          1HE       LYS   7 -12.550  10.448   1.946
  291   2HE   LYS   7          2HE       LYS   7 -11.577   9.091   1.370
  292   1HZ   LYS   7          1HZ       LYS   7 -12.810   9.466  -0.831
  293   2HZ   LYS   7          2HZ       LYS   7 -13.232  10.981  -0.190
  294   3HZ   LYS   7          3HZ       LYS   7 -11.602  10.574  -0.408
  295    H    ARG   8           H        ARG   8 -12.015   4.121   2.809
  296    HA   ARG   8           HA       ARG   8  -9.488   3.840   4.059
  297   1HB   ARG   8          1HB       ARG   8 -11.441   2.395   4.579
  298   2HB   ARG   8          2HB       ARG   8 -11.313   1.678   2.976
  299   1HG   ARG   8          1HG       ARG   8 -10.298   0.234   4.631
  300   2HG   ARG   8          2HG       ARG   8  -9.069   0.865   3.527
  301   1HD   ARG   8          1HD       ARG   8  -8.743   2.712   5.272
  302   2HD   ARG   8          2HD       ARG   8  -9.648   1.653   6.352
  303    HE   ARG   8           HE       ARG   8  -7.668   0.067   5.345
  304   1HH1  ARG   8          1HH1      ARG   8  -7.779   3.124   7.039
  305   2HH1  ARG   8          2HH1      ARG   8  -6.221   2.916   7.792
  306   1HH2  ARG   8          1HH2      ARG   8  -5.644  -0.253   6.361
  307   2HH2  ARG   8          2HH2      ARG   8  -5.014   0.984   7.420
  308    H    VAL   9           H        VAL   9 -10.767   2.988   0.887
  309    HA   VAL   9           HA       VAL   9  -8.517   1.677  -0.148
  310    HB   VAL   9           HB       VAL   9 -10.670   3.281  -1.543
  311   1HG1  VAL   9          1HG1      VAL   9  -8.635   3.180  -2.922
  312   2HG1  VAL   9          2HG1      VAL   9  -8.657   1.420  -2.797
  313   3HG1  VAL   9          3HG1      VAL   9  -9.970   2.261  -3.620
  314   1HG2  VAL   9          1HG2      VAL   9 -10.781   0.814  -0.287
  315   2HG2  VAL   9          2HG2      VAL   9 -11.934   1.448  -1.464
  316   3HG2  VAL   9          3HG2      VAL   9 -10.604   0.420  -1.996
  317    H    GLN  10           H        GLN  10  -9.502   5.077  -0.271
  318    HA   GLN  10           HA       GLN  10  -7.280   6.012  -1.731
  319   1HB   GLN  10          1HB       GLN  10  -9.159   7.426   0.160
  320   2HB   GLN  10          2HB       GLN  10  -7.950   8.248  -0.817
  321   1HG   GLN  10          1HG       GLN  10 -10.203   6.572  -1.892
  322   2HG   GLN  10          2HG       GLN  10 -10.182   8.329  -1.817
  323   1HE2  GLN  10          1HE2      GLN  10  -8.737   6.534  -5.003
  324   2HE2  GLN  10          2HE2      GLN  10  -9.847   5.865  -3.859
  325    H    ALA  11           H        ALA  11  -7.903   5.791   1.766
  326    HA   ALA  11           HA       ALA  11  -5.584   7.116   2.629
  327   1HB   ALA  11          1HB       ALA  11  -7.726   6.158   3.908
  328   2HB   ALA  11          2HB       ALA  11  -6.587   4.860   4.262
  329   3HB   ALA  11          3HB       ALA  11  -6.209   6.516   4.730
  330    H    LEU  12           H        LEU  12  -6.232   3.708   1.962
  331    HA   LEU  12           HA       LEU  12  -3.669   2.758   2.694
  332   1HB   LEU  12          1HB       LEU  12  -5.841   1.654   0.934
  333   2HB   LEU  12          2HB       LEU  12  -4.326   0.815   1.154
  334    HG   LEU  12           HG       LEU  12  -6.055   1.581   3.489
  335   1HD1  LEU  12          1HD1      LEU  12  -7.245   0.120   1.750
  336   2HD1  LEU  12          2HD1      LEU  12  -6.069  -1.123   2.174
  337   3HD1  LEU  12          3HD1      LEU  12  -7.164  -0.489   3.404
  338   1HD2  LEU  12          1HD2      LEU  12  -3.911  -0.495   3.048
  339   2HD2  LEU  12          2HD2      LEU  12  -3.744   1.006   3.961
  340   3HD2  LEU  12          3HD2      LEU  12  -4.821  -0.265   4.542
  341    H    LYS  13           H        LYS  13  -5.088   3.360  -0.544
  342    HA   LYS  13           HA       LYS  13  -2.784   2.837  -2.012
  343   1HB   LYS  13          1HB       LYS  13  -5.279   4.336  -2.507
  344   2HB   LYS  13          2HB       LYS  13  -3.927   4.734  -3.557
  345   1HG   LYS  13          1HG       LYS  13  -5.375   2.998  -4.515
  346   2HG   LYS  13          2HG       LYS  13  -3.724   2.431  -4.254
  347   1HD   LYS  13          1HD       LYS  13  -4.448   1.325  -2.181
  348   2HD   LYS  13          2HD       LYS  13  -6.096   1.889  -2.459
  349   1HE   LYS  13          1HE       LYS  13  -6.016  -0.359  -3.194
  350   2HE   LYS  13          2HE       LYS  13  -6.036   0.643  -4.641
  351   1HZ   LYS  13          1HZ       LYS  13  -3.562  -0.509  -3.469
  352   2HZ   LYS  13          2HZ       LYS  13  -4.444  -1.227  -4.723
  353   3HZ   LYS  13          3HZ       LYS  13  -3.717   0.284  -4.962
  354    H    ALA  14           H        ALA  14  -3.784   5.871  -0.472
  355    HA   ALA  14           HA       ALA  14  -1.714   7.467  -1.552
  356   1HB   ALA  14          1HB       ALA  14  -3.815   7.810   0.316
  357   2HB   ALA  14          2HB       ALA  14  -2.325   8.352   1.086
  358   3HB   ALA  14          3HB       ALA  14  -2.823   9.049  -0.455
  359    H    ARG  15           H        ARG  15  -1.937   5.519   1.378
  360    HA   ARG  15           HA       ARG  15   0.669   6.140   2.349
  361   1HB   ARG  15          1HB       ARG  15  -0.994   5.336   3.892
  362   2HB   ARG  15          2HB       ARG  15  -1.265   3.891   2.928
  363   1HG   ARG  15          1HG       ARG  15  -0.004   3.285   4.849
  364   2HG   ARG  15          2HG       ARG  15   1.055   3.184   3.442
  365   1HD   ARG  15          1HD       ARG  15   1.412   5.768   4.291
  366   2HD   ARG  15          2HD       ARG  15   1.217   4.884   5.803
  367    HE   ARG  15           HE       ARG  15   3.488   4.868   4.124
  368   1HH1  ARG  15          1HH1      ARG  15   1.609   2.720   6.188
  369   2HH1  ARG  15          2HH1      ARG  15   2.914   1.583   6.386
  370   1HH2  ARG  15          1HH2      ARG  15   5.170   3.382   4.395
  371   2HH2  ARG  15          2HH2      ARG  15   4.920   1.934   5.341
  372    H    ASN  16           H        ASN  16  -0.725   3.546   0.433
  373    HA   ASN  16           HA       ASN  16   1.495   1.861   0.226
  374   1HB   ASN  16          1HB       ASN  16  -0.973   2.323  -1.424
  375   2HB   ASN  16          2HB       ASN  16   0.270   1.232  -2.002
  376   1HD2  ASN  16          1HD2      ASN  16  -1.291  -1.338  -0.296
  377   2HD2  ASN  16          2HD2      ASN  16  -0.666  -0.711  -1.781
  378    H    TYR  17           H        TYR  17   0.396   4.566  -1.740
  379    HA   TYR  17           HA       TYR  17   2.302   4.383  -3.793
  380   1HB   TYR  17          1HB       TYR  17   0.149   5.830  -3.581
  381   2HB   TYR  17          2HB       TYR  17   1.203   6.998  -2.797
  382    HD1  TYR  17           HD1      TYR  17   1.309   4.849  -5.860
  383    HD2  TYR  17           HD2      TYR  17   1.930   8.699  -4.156
  384    HE1  TYR  17           HE1      TYR  17   1.926   5.720  -8.073
  385    HE2  TYR  17           HE2      TYR  17   2.555   9.582  -6.367
  386    HH   TYR  17           HH       TYR  17   3.101   9.025  -8.495
  387    H    ALA  18           H        ALA  18   2.290   6.110  -0.707
  388    HA   ALA  18           HA       ALA  18   4.805   7.380  -1.032
  389   1HB   ALA  18          1HB       ALA  18   2.777   7.623   0.752
  390   2HB   ALA  18          2HB       ALA  18   3.968   6.752   1.716
  391   3HB   ALA  18          3HB       ALA  18   4.390   8.299   0.983
  392    H    ALA  19           H        ALA  19   3.789   4.283   0.306
  393    HA   ALA  19           HA       ALA  19   6.344   3.602   1.377
  394   1HB   ALA  19          1HB       ALA  19   3.733   2.458   1.323
  395   2HB   ALA  19          2HB       ALA  19   4.901   1.242   0.802
  396   3HB   ALA  19          3HB       ALA  19   5.101   2.048   2.359
  397    H    LYS  20           H        LYS  20   4.712   3.090  -1.700
  398    HA   LYS  20           HA       LYS  20   6.546   1.258  -2.818
  399   1HB   LYS  20          1HB       LYS  20   4.602   3.213  -4.014
  400   2HB   LYS  20          2HB       LYS  20   5.663   2.251  -5.029
  401   1HG   LYS  20          1HG       LYS  20   4.713   0.211  -4.176
  402   2HG   LYS  20          2HG       LYS  20   3.722   1.116  -3.031
  403   1HD   LYS  20          1HD       LYS  20   2.464   2.114  -4.803
  404   2HD   LYS  20          2HD       LYS  20   3.559   1.448  -6.018
  405   1HE   LYS  20          1HE       LYS  20   1.904  -0.235  -4.142
  406   2HE   LYS  20          2HE       LYS  20   1.393   0.215  -5.767
  407   1HZ   LYS  20          1HZ       LYS  20   3.976  -1.159  -5.307
  408   2HZ   LYS  20          2HZ       LYS  20   2.527  -2.037  -5.440
  409   3HZ   LYS  20          3HZ       LYS  20   3.059  -1.073  -6.729
  410    H    GLN  21           H        GLN  21   6.383   4.803  -2.879
  411    HA   GLN  21           HA       GLN  21   8.711   5.037  -4.529
  412   1HB   GLN  21          1HB       GLN  21   8.596   7.413  -4.098
  413   2HB   GLN  21          2HB       GLN  21   6.984   6.799  -4.431
  414   1HG   GLN  21          1HG       GLN  21   6.765   6.674  -1.860
  415   2HG   GLN  21          2HG       GLN  21   8.141   7.778  -1.862
  416   1HE2  GLN  21          1HE2      GLN  21   4.935   9.216  -3.918
  417   2HE2  GLN  21          2HE2      GLN  21   5.579   7.643  -4.264
  418    H    LYS  22           H        LYS  22   8.166   4.408  -1.242
  419    HA   LYS  22           HA       LYS  22  10.681   5.364  -0.234
  420   1HB   LYS  22          1HB       LYS  22   8.481   3.611   0.801
  421   2HB   LYS  22          2HB       LYS  22  10.059   3.486   1.559
  422   1HG   LYS  22          1HG       LYS  22   8.570   6.078   1.266
  423   2HG   LYS  22          2HG       LYS  22   8.433   5.024   2.674
  424   1HD   LYS  22          1HD       LYS  22  11.010   6.190   1.648
  425   2HD   LYS  22          2HD       LYS  22  10.064   6.863   2.972
  426   1HE   LYS  22          1HE       LYS  22  10.356   4.786   4.232
  427   2HE   LYS  22          2HE       LYS  22  11.311   4.119   2.909
  428   1HZ   LYS  22          1HZ       LYS  22  12.822   6.105   3.245
  429   2HZ   LYS  22          2HZ       LYS  22  12.002   6.371   4.704
  430   3HZ   LYS  22          3HZ       LYS  22  12.855   4.927   4.468
  431    H    VAL  23           H        VAL  23   9.305   2.254  -1.202
  432    HA   VAL  23           HA       VAL  23  11.547   0.643  -0.849
  433    HB   VAL  23           HB       VAL  23   9.486   0.364  -3.045
  434   1HG1  VAL  23          1HG1      VAL  23  11.763  -1.030  -2.817
  435   2HG1  VAL  23          2HG1      VAL  23  10.721  -1.992  -1.768
  436   3HG1  VAL  23          3HG1      VAL  23  10.264  -1.716  -3.447
  437   1HG2  VAL  23          1HG2      VAL  23   9.370  -0.238  -0.131
  438   2HG2  VAL  23          2HG2      VAL  23   8.109   0.349  -1.215
  439   3HG2  VAL  23          3HG2      VAL  23   8.582  -1.349  -1.252
  440    H    GLN  24           H        GLN  24  10.478   2.359  -3.794
  441    HA   GLN  24           HA       GLN  24  12.721   1.581  -5.321
  442   1HB   GLN  24          1HB       GLN  24  12.011   3.316  -6.919
  443   2HB   GLN  24          2HB       GLN  24  10.681   2.287  -6.412
  444   1HG   GLN  24          1HG       GLN  24   9.939   4.022  -4.872
  445   2HG   GLN  24          2HG       GLN  24  11.256   5.061  -5.418
  446   1HE2  GLN  24          1HE2      GLN  24   7.821   5.015  -7.397
  447   2HE2  GLN  24          2HE2      GLN  24   8.068   4.322  -5.834
  448    H    ALA  25           H        ALA  25  12.221   4.267  -3.116
  449    HA   ALA  25           HA       ALA  25  14.533   5.720  -3.982
  450   1HB   ALA  25          1HB       ALA  25  12.422   6.402  -2.457
  451   2HB   ALA  25          2HB       ALA  25  13.609   6.061  -1.197
  452   3HB   ALA  25          3HB       ALA  25  13.957   7.271  -2.434
  453    H    LEU  26           H        LEU  26  13.793   3.423  -1.417
  454    HA   LEU  26           HA       LEU  26  16.324   3.455  -0.168
  455   1HB   LEU  26          1HB       LEU  26  14.264   1.244  -0.276
  456   2HB   LEU  26          2HB       LEU  26  15.624   1.308   0.831
  457    HG   LEU  26           HG       LEU  26  13.346   3.284   0.760
  458   1HD1  LEU  26          1HD1      LEU  26  13.858   0.809   2.322
  459   2HD1  LEU  26          2HD1      LEU  26  13.084   2.176   3.125
  460   3HD1  LEU  26          3HD1      LEU  26  12.343   1.462   1.694
  461   1HD2  LEU  26          1HD2      LEU  26  15.589   4.144   1.486
  462   2HD2  LEU  26          2HD2      LEU  26  14.306   4.259   2.693
  463   3HD2  LEU  26          3HD2      LEU  26  15.523   2.987   2.814
  464    H    ARG  27           H        ARG  27  14.952   1.373  -2.722
  465    HA   ARG  27           HA       ARG  27  17.187  -0.326  -2.944
  466   1HB   ARG  27          1HB       ARG  27  14.908   0.370  -4.766
  467   2HB   ARG  27          2HB       ARG  27  16.213  -0.674  -5.319
  468   1HG   ARG  27          1HG       ARG  27  15.736  -2.289  -3.646
  469   2HG   ARG  27          2HG       ARG  27  14.612  -1.200  -2.831
  470   1HD   ARG  27          1HD       ARG  27  13.043  -1.357  -4.586
  471   2HD   ARG  27          2HD       ARG  27  14.212  -2.119  -5.650
  472    HE   ARG  27           HE       ARG  27  13.824  -3.718  -3.360
  473   1HH1  ARG  27          1HH1      ARG  27  12.279  -2.801  -6.356
  474   2HH1  ARG  27          2HH1      ARG  27  11.250  -4.203  -6.399
  475   1HH2  ARG  27          1HH2      ARG  27  12.490  -5.576  -3.426
  476   2HH2  ARG  27          2HH2      ARG  27  11.377  -5.780  -4.746
  477    H    HIS  28           H        HIS  28  16.574   2.870  -4.069
  478    HA   HIS  28           HA       HIS  28  18.624   2.844  -6.091
  479   1HB   HIS  28          1HB       HIS  28  16.657   4.357  -6.208
  480   2HB   HIS  28          2HB       HIS  28  17.248   5.181  -4.767
  481    HD1  HIS  28           HD1      HIS  28  18.882   4.271  -8.122
  482    HD2  HIS  28           HD2      HIS  28  18.440   7.445  -5.468
  483    HE1  HIS  28           HE1      HIS  28  20.147   6.222  -9.122
  484    H    LYS  29           H        LYS  29  18.268   3.979  -2.775
  485    HA   LYS  29           HA       LYS  29  20.897   5.100  -2.652
  486   1HB   LYS  29          1HB       LYS  29  19.031   5.958  -1.294
  487   2HB   LYS  29          2HB       LYS  29  18.963   4.428  -0.434
  488   1HG   LYS  29          1HG       LYS  29  21.106   4.796   0.546
  489   2HG   LYS  29          2HG       LYS  29  21.382   6.215  -0.465
  490   1HD   LYS  29          1HD       LYS  29  19.584   7.396   0.643
  491   2HD   LYS  29          2HD       LYS  29  19.191   5.964   1.595
  492   1HE   LYS  29          1HE       LYS  29  20.507   7.647   2.851
  493   2HE   LYS  29          2HE       LYS  29  21.307   6.079   2.736
  494   1HZ   LYS  29          1HZ       LYS  29  22.011   7.859   0.591
  495   2HZ   LYS  29          2HZ       LYS  29  22.418   8.481   2.114
  496   3HZ   LYS  29          3HZ       LYS  29  23.008   6.967   1.635
  497    H    CYS  30           H        CYS  30  19.374   2.164  -1.395
  498    HA   CYS  30           HA       CYS  30  22.034   0.942  -1.199
  499   1HB   CYS  30          1HB       CYS  30  19.976   0.932   1.018
  500   2HB   CYS  30          2HB       CYS  30  21.442  -0.041   1.001
  501    H    GLY  31           H        GLY  31  20.951   0.103  -3.238
  502   1HA   GLY  31          1HA       GLY  31  20.053  -2.569  -2.724
  503   2HA   GLY  31          2HA       GLY  31  18.769  -1.550  -3.365
  504   1HN   NH2  32          1HN       NH2  32  18.998  -3.335  -5.058
  505   2HN   NH2  32          2HN       NH2  32  20.078  -2.980  -6.375
  Start of MODEL   10
    1   1H    ACE   0          1H        ACE   0 -17.564   0.475  -5.604
    2   2H    ACE   0          2H        ACE   0 -18.724   1.804  -5.530
    3   3H    ACE   0          3H        ACE   0 -19.021   0.431  -6.598
    4    H    GLU   1           H        GLU   1 -19.300  -1.697  -5.546
    5    HA   GLU   1           HA       GLU   1 -21.125  -1.462  -3.348
    6   1HB   GLU   1          1HB       GLU   1 -21.417  -3.112  -5.199
    7   2HB   GLU   1          2HB       GLU   1 -20.011  -3.976  -4.602
    8   1HG   GLU   1          1HG       GLU   1 -22.112  -5.014  -3.901
    9   2HG   GLU   1          2HG       GLU   1 -21.136  -4.480  -2.537
   10    H    VAL   2           H        VAL   2 -20.940  -2.555  -1.320
   11    HA   VAL   2           HA       VAL   2 -18.683  -2.010   0.141
   12    HB   VAL   2           HB       VAL   2 -20.569  -4.295   0.729
   13   1HG1  VAL   2          1HG1      VAL   2 -18.403  -4.043   2.041
   14   2HG1  VAL   2          2HG1      VAL   2 -19.113  -2.569   2.702
   15   3HG1  VAL   2          3HG1      VAL   2 -19.901  -4.124   2.968
   16   1HG2  VAL   2          1HG2      VAL   2 -21.297  -1.667   0.367
   17   2HG2  VAL   2          2HG2      VAL   2 -22.190  -2.864   1.302
   18   3HG2  VAL   2          3HG2      VAL   2 -21.059  -1.776   2.110
   19    H    ALA   3           H        ALA   3 -19.643  -5.244  -1.008
   20    HA   ALA   3           HA       ALA   3 -17.443  -6.696  -0.233
   21   1HB   ALA   3          1HB       ALA   3 -19.681  -7.100  -1.875
   22   2HB   ALA   3          2HB       ALA   3 -18.273  -7.602  -2.811
   23   3HB   ALA   3          3HB       ALA   3 -18.578  -8.313  -1.227
   24    H    GLN   4           H        GLN   4 -17.878  -4.927  -3.261
   25    HA   GLN   4           HA       GLN   4 -15.479  -5.620  -4.513
   26   1HB   GLN   4          1HB       GLN   4 -16.946  -2.993  -4.680
   27   2HB   GLN   4          2HB       GLN   4 -15.830  -3.639  -5.878
   28   1HG   GLN   4          1HG       GLN   4 -18.494  -4.825  -5.133
   29   2HG   GLN   4          2HG       GLN   4 -18.150  -3.885  -6.583
   30   1HE2  GLN   4          1HE2      GLN   4 -17.080  -6.613  -8.395
   31   2HE2  GLN   4          2HE2      GLN   4 -17.630  -4.973  -8.341
   32    H    LEU   5           H        LEU   5 -16.299  -2.971  -2.354
   33    HA   LEU   5           HA       LEU   5 -13.796  -1.679  -2.459
   34   1HB   LEU   5          1HB       LEU   5 -16.054  -1.605  -0.482
   35   2HB   LEU   5          2HB       LEU   5 -14.645  -0.562  -0.365
   36    HG   LEU   5           HG       LEU   5 -16.568  -0.635  -2.692
   37   1HD1  LEU   5          1HD1      LEU   5 -16.739   0.644  -0.129
   38   2HD1  LEU   5          2HD1      LEU   5 -16.636   1.850  -1.413
   39   3HD1  LEU   5          3HD1      LEU   5 -17.904   0.625  -1.454
   40   1HD2  LEU   5          1HD2      LEU   5 -13.936   0.342  -2.504
   41   2HD2  LEU   5          2HD2      LEU   5 -15.103   0.611  -3.803
   42   3HD2  LEU   5          3HD2      LEU   5 -15.002   1.750  -2.465
   43    H    GLU   6           H        GLU   6 -15.136  -4.213  -0.403
   44    HA   GLU   6           HA       GLU   6 -13.099  -4.198   1.557
   45   1HB   GLU   6          1HB       GLU   6 -14.502  -6.694   0.605
   46   2HB   GLU   6          2HB       GLU   6 -13.862  -6.354   2.207
   47   1HG   GLU   6          1HG       GLU   6 -15.613  -4.485   2.288
   48   2HG   GLU   6          2HG       GLU   6 -16.343  -5.307   0.915
   49    H    LYS   7           H        LYS   7 -13.426  -5.783  -1.565
   50    HA   LYS   7           HA       LYS   7 -11.026  -7.310  -1.417
   51   1HB   LYS   7          1HB       LYS   7 -12.466  -6.316  -3.887
   52   2HB   LYS   7          2HB       LYS   7 -11.340  -7.663  -3.801
   53   1HG   LYS   7          1HG       LYS   7 -12.866  -8.971  -2.541
   54   2HG   LYS   7          2HG       LYS   7 -13.939  -7.591  -2.302
   55   1HD   LYS   7          1HD       LYS   7 -14.266  -7.520  -4.780
   56   2HD   LYS   7          2HD       LYS   7 -13.356  -9.031  -4.886
   57   1HE   LYS   7          1HE       LYS   7 -14.993 -10.114  -3.423
   58   2HE   LYS   7          2HE       LYS   7 -15.897  -8.605  -3.320
   59   1HZ   LYS   7          1HZ       LYS   7 -15.525  -9.194  -6.024
   60   2HZ   LYS   7          2HZ       LYS   7 -16.070 -10.612  -5.268
   61   3HZ   LYS   7          3HZ       LYS   7 -16.975  -9.182  -5.144
   62    H    GLU   8           H        GLU   8 -11.845  -4.091  -2.482
   63    HA   GLU   8           HA       GLU   8  -9.352  -3.491  -3.728
   64   1HB   GLU   8          1HB       GLU   8 -11.536  -2.358  -4.194
   65   2HB   GLU   8          2HB       GLU   8 -11.438  -1.610  -2.606
   66   1HG   GLU   8          1HG       GLU   8 -10.752  -0.067  -4.290
   67   2HG   GLU   8          2HG       GLU   8  -9.375  -0.485  -3.274
   68    H    VAL   9           H        VAL   9 -10.781  -2.845  -0.551
   69    HA   VAL   9           HA       VAL   9  -8.625  -1.353   0.506
   70    HB   VAL   9           HB       VAL   9 -10.757  -3.002   1.895
   71   1HG1  VAL   9          1HG1      VAL   9  -8.678  -2.764   3.267
   72   2HG1  VAL   9          2HG1      VAL   9  -8.885  -1.017   3.180
   73   3HG1  VAL   9          3HG1      VAL   9 -10.105  -2.009   3.977
   74   1HG2  VAL   9          1HG2      VAL   9 -10.494  -0.163   1.057
   75   2HG2  VAL   9          2HG2      VAL   9 -11.907  -1.217   1.054
   76   3HG2  VAL   9          3HG2      VAL   9 -11.340  -0.508   2.567
   77    H    ALA  10           H        ALA  10  -9.441  -4.790   0.536
   78    HA   ALA  10           HA       ALA  10  -7.229  -5.636   2.089
   79   1HB   ALA  10          1HB       ALA  10  -9.425  -6.872   0.699
   80   2HB   ALA  10          2HB       ALA  10  -7.926  -7.754   0.395
   81   3HB   ALA  10          3HB       ALA  10  -8.470  -7.480   2.051
   82    H    GLN  11           H        GLN  11  -7.638  -4.816  -1.247
   83    HA   GLN  11           HA       GLN  11  -5.357  -6.141  -2.298
   84   1HB   GLN  11          1HB       GLN  11  -7.316  -5.175  -3.611
   85   2HB   GLN  11          2HB       GLN  11  -6.613  -3.593  -3.331
   86   1HG   GLN  11          1HG       GLN  11  -5.945  -4.259  -5.487
   87   2HG   GLN  11          2HG       GLN  11  -4.533  -4.409  -4.445
   88   1HE2  GLN  11          1HE2      GLN  11  -5.921  -8.124  -4.687
   89   2HE2  GLN  11          2HE2      GLN  11  -6.576  -6.882  -3.672
   90    H    ALA  12           H        ALA  12  -6.022  -2.843  -1.244
   91    HA   ALA  12           HA       ALA  12  -3.379  -1.890  -1.561
   92   1HB   ALA  12          1HB       ALA  12  -5.731  -0.682  -1.164
   93   2HB   ALA  12          2HB       ALA  12  -5.079  -0.614   0.475
   94   3HB   ALA  12          3HB       ALA  12  -4.177   0.098  -0.864
   95    H    GLU  13           H        GLU  13  -5.171  -3.212   1.181
   96    HA   GLU  13           HA       GLU  13  -3.235  -2.805   3.166
   97   1HB   GLU  13          1HB       GLU  13  -5.596  -4.564   2.816
   98   2HB   GLU  13          2HB       GLU  13  -4.425  -5.071   4.026
   99   1HG   GLU  13          1HG       GLU  13  -5.633  -2.322   3.960
  100   2HG   GLU  13          2HG       GLU  13  -6.353  -3.670   4.838
  101    H    ALA  14           H        ALA  14  -3.714  -5.463   0.876
  102    HA   ALA  14           HA       ALA  14  -1.761  -7.217   1.866
  103   1HB   ALA  14          1HB       ALA  14  -3.494  -7.123  -0.346
  104   2HB   ALA  14          2HB       ALA  14  -1.870  -7.349  -0.996
  105   3HB   ALA  14          3HB       ALA  14  -2.508  -8.480   0.197
  106    H    GLU  15           H        GLU  15  -1.548  -4.746  -0.679
  107    HA   GLU  15           HA       GLU  15   1.214  -5.058  -1.174
  108   1HB   GLU  15          1HB       GLU  15  -0.724  -2.813  -1.671
  109   2HB   GLU  15          2HB       GLU  15   0.986  -2.630  -2.024
  110   1HG   GLU  15          1HG       GLU  15   0.870  -4.527  -3.557
  111   2HG   GLU  15          2HG       GLU  15  -0.848  -4.696  -3.208
  112    H    ASN  16           H        ASN  16  -0.596  -2.740   0.796
  113    HA   ASN  16           HA       ASN  16   1.461  -1.193   1.799
  114   1HB   ASN  16          1HB       ASN  16  -1.100  -1.008   2.088
  115   2HB   ASN  16          2HB       ASN  16  -0.894  -2.070   3.471
  116   1HD2  ASN  16          1HD2      ASN  16  -0.420   1.825   3.880
  117   2HD2  ASN  16          2HD2      ASN  16  -1.167   1.049   2.521
  118    H    TYR  17           H        TYR  17   0.174  -4.236   3.037
  119    HA   TYR  17           HA       TYR  17   1.732  -4.456   5.354
  120   1HB   TYR  17          1HB       TYR  17  -0.276  -5.838   4.745
  121   2HB   TYR  17          2HB       TYR  17   0.733  -6.708   3.597
  122    HD1  TYR  17           HD1      TYR  17   1.022  -5.675   7.183
  123    HD2  TYR  17           HD2      TYR  17   1.361  -8.790   4.311
  124    HE1  TYR  17           HE1      TYR  17   1.678  -7.235   8.966
  125    HE2  TYR  17           HE2      TYR  17   2.022 -10.359   6.083
  126    HH   TYR  17           HH       TYR  17   1.523  -9.901   9.240
  127    H    GLN  18           H        GLN  18   2.361  -5.414   2.017
  128    HA   GLN  18           HA       GLN  18   4.852  -6.698   2.650
  129   1HB   GLN  18          1HB       GLN  18   3.611  -5.898   0.022
  130   2HB   GLN  18          2HB       GLN  18   5.141  -6.751   0.159
  131   1HG   GLN  18          1HG       GLN  18   3.972  -8.583   1.326
  132   2HG   GLN  18          2HG       GLN  18   2.445  -7.742   1.053
  133   1HE2  GLN  18          1HE2      GLN  18   3.900 -10.145  -1.733
  134   2HE2  GLN  18          2HE2      GLN  18   4.421 -10.093  -0.080
  135    H    LEU  19           H        LEU  19   3.855  -3.538   1.460
  136    HA   LEU  19           HA       LEU  19   6.348  -2.578   0.631
  137   1HB   LEU  19          1HB       LEU  19   4.173  -0.947   1.937
  138   2HB   LEU  19          2HB       LEU  19   5.448  -0.351   0.895
  139    HG   LEU  19           HG       LEU  19   3.081  -2.034   0.109
  140   1HD1  LEU  19          1HD1      LEU  19   2.923   0.481   0.400
  141   2HD1  LEU  19          2HD1      LEU  19   3.970   0.594  -1.013
  142   3HD1  LEU  19          3HD1      LEU  19   2.397  -0.191  -1.144
  143   1HD2  LEU  19          1HD2      LEU  19   5.645  -1.537  -1.326
  144   2HD2  LEU  19          2HD2      LEU  19   4.652  -2.993  -1.259
  145   3HD2  LEU  19          3HD2      LEU  19   4.140  -1.620  -2.241
  146    H    GLU  20           H        GLU  20   4.794  -2.484   3.818
  147    HA   GLU  20           HA       GLU  20   6.794  -1.025   5.135
  148   1HB   GLU  20          1HB       GLU  20   4.819  -3.075   6.140
  149   2HB   GLU  20          2HB       GLU  20   5.879  -2.170   7.214
  150   1HG   GLU  20          1HG       GLU  20   3.891  -0.921   5.329
  151   2HG   GLU  20          2HG       GLU  20   3.590  -1.244   7.037
  152    H    GLN  21           H        GLN  21   6.385  -4.495   4.624
  153    HA   GLN  21           HA       GLN  21   8.612  -5.349   6.136
  154   1HB   GLN  21          1HB       GLN  21   7.238  -6.638   3.770
  155   2HB   GLN  21          2HB       GLN  21   8.445  -7.434   4.770
  156   1HG   GLN  21          1HG       GLN  21   7.014  -7.323   6.688
  157   2HG   GLN  21          2HG       GLN  21   5.837  -6.350   5.809
  158   1HE2  GLN  21          1HE2      GLN  21   5.774  -9.722   3.781
  159   2HE2  GLN  21          2HE2      GLN  21   6.906  -8.433   3.580
  160    H    GLU  22           H        GLU  22   8.205  -4.492   2.735
  161    HA   GLU  22           HA       GLU  22  10.817  -5.145   1.892
  162   1HB   GLU  22          1HB       GLU  22   8.728  -4.701   0.478
  163   2HB   GLU  22          2HB       GLU  22   9.084  -2.993   0.693
  164   1HG   GLU  22          1HG       GLU  22   9.998  -3.583  -1.371
  165   2HG   GLU  22          2HG       GLU  22  11.365  -3.482  -0.263
  166    H    VAL  23           H        VAL  23   9.322  -2.111   2.987
  167    HA   VAL  23           HA       VAL  23  11.585  -0.475   2.634
  168    HB   VAL  23           HB       VAL  23   9.169  -0.226   4.417
  169   1HG1  VAL  23          1HG1      VAL  23  11.091   0.870   5.532
  170   2HG1  VAL  23          2HG1      VAL  23  11.336   1.848   4.085
  171   3HG1  VAL  23          3HG1      VAL  23   9.849   2.013   5.019
  172   1HG2  VAL  23          1HG2      VAL  23   9.448   0.160   1.755
  173   2HG2  VAL  23          2HG2      VAL  23   8.276   1.016   2.756
  174   3HG2  VAL  23          3HG2      VAL  23   9.816   1.775   2.357
  175    H    ALA  24           H        ALA  24  10.433  -2.310   5.461
  176    HA   ALA  24           HA       ALA  24  12.415  -1.498   7.264
  177   1HB   ALA  24          1HB       ALA  24  10.916  -4.104   7.076
  178   2HB   ALA  24          2HB       ALA  24  11.974  -3.677   8.417
  179   3HB   ALA  24          3HB       ALA  24  10.532  -2.716   8.092
  180    H    GLN  25           H        GLN  25  12.356  -4.116   4.896
  181    HA   GLN  25           HA       GLN  25  14.822  -5.283   5.566
  182   1HB   GLN  25          1HB       GLN  25  13.090  -6.326   4.096
  183   2HB   GLN  25          2HB       GLN  25  13.530  -5.183   2.834
  184   1HG   GLN  25          1HG       GLN  25  14.605  -7.268   2.386
  185   2HG   GLN  25          2HG       GLN  25  15.831  -6.097   2.864
  186   1HE2  GLN  25          1HE2      GLN  25  15.702  -9.553   4.710
  187   2HE2  GLN  25          2HE2      GLN  25  15.070  -9.192   3.140
  188    H    LEU  26           H        LEU  26  14.011  -2.879   3.062
  189    HA   LEU  26           HA       LEU  26  16.645  -2.508   2.165
  190   1HB   LEU  26          1HB       LEU  26  14.285  -0.638   2.086
  191   2HB   LEU  26          2HB       LEU  26  15.795  -0.360   1.238
  192    HG   LEU  26           HG       LEU  26  13.976  -2.726   0.777
  193   1HD1  LEU  26          1HD1      LEU  26  14.434  -0.249  -0.878
  194   2HD1  LEU  26          2HD1      LEU  26  13.495  -1.656  -1.374
  195   3HD1  LEU  26          3HD1      LEU  26  12.954  -0.671  -0.017
  196   1HD2  LEU  26          1HD2      LEU  26  16.465  -1.798  -0.648
  197   2HD2  LEU  26          2HD2      LEU  26  16.318  -3.231   0.369
  198   3HD2  LEU  26          3HD2      LEU  26  15.429  -3.135  -1.150
  199    H    GLU  27           H        GLU  27  14.787  -0.768   4.640
  200    HA   GLU  27           HA       GLU  27  16.713   1.208   5.215
  201   1HB   GLU  27          1HB       GLU  27  14.546  -0.047   6.907
  202   2HB   GLU  27          2HB       GLU  27  15.554   1.270   7.483
  203   1HG   GLU  27          1HG       GLU  27  14.137   1.609   4.899
  204   2HG   GLU  27          2HG       GLU  27  13.207   1.708   6.391
  205    H    HIS  28           H        HIS  28  16.164  -2.012   6.536
  206    HA   HIS  28           HA       HIS  28  18.259  -1.901   8.463
  207   1HB   HIS  28          1HB       HIS  28  16.278  -3.376   8.641
  208   2HB   HIS  28          2HB       HIS  28  16.852  -4.289   7.254
  209    HD1  HIS  28           HD1      HIS  28  18.587  -3.268  10.521
  210    HD2  HIS  28           HD2      HIS  28  17.739  -6.584   8.171
  211    HE1  HIS  28           HE1      HIS  28  19.665  -5.247  11.674
  212    H    GLU  29           H        GLU  29  17.996  -3.025   5.141
  213    HA   GLU  29           HA       GLU  29  20.544  -4.291   5.022
  214   1HB   GLU  29          1HB       GLU  29  18.562  -3.350   2.977
  215   2HB   GLU  29          2HB       GLU  29  20.160  -3.876   2.473
  216   1HG   GLU  29          1HG       GLU  29  18.290  -5.565   4.112
  217   2HG   GLU  29          2HG       GLU  29  18.377  -5.615   2.349
  218    H    CYS  30           H        CYS  30  19.372  -1.062   4.483
  219    HA   CYS  30           HA       CYS  30  21.777  -0.099   3.270
  220   1HB   CYS  30          1HB       CYS  30  19.477   0.906   2.957
  221   2HB   CYS  30          2HB       CYS  30  19.615   1.550   4.589
  222    H    GLY  31           H        GLY  31  20.334   0.154   6.513
  223   1HA   GLY  31          1HA       GLY  31  22.840   0.073   7.804
  224   2HA   GLY  31          2HA       GLY  31  22.316   1.747   7.681
  225   1HN   NH2  32          1HN       NH2  32  22.451  -0.672   9.750
  226   2HN   NH2  32          2HN       NH2  32  21.003  -0.415  10.673
  227   1H    ACE   0          1H        ACE   0 -18.789  -2.167   7.360
  228   2H    ACE   0          2H        ACE   0 -17.333  -1.351   6.785
  229   3H    ACE   0          3H        ACE   0 -17.940  -2.776   5.937
  230    H    GLU   1           H        GLU   1 -18.332   0.639   6.470
  231    HA   GLU   1           HA       GLU   1 -20.680   0.851   4.796
  232   1HB   GLU   1          1HB       GLU   1 -20.358   2.339   6.735
  233   2HB   GLU   1          2HB       GLU   1 -18.917   2.999   5.979
  234   1HG   GLU   1          1HG       GLU   1 -20.355   3.755   4.085
  235   2HG   GLU   1          2HG       GLU   1 -21.758   3.254   5.026
  236    H    VAL   2           H        VAL   2 -20.770   1.700   2.736
  237    HA   VAL   2           HA       VAL   2 -18.624   1.223   0.994
  238    HB   VAL   2           HB       VAL   2 -21.098   2.923   0.651
  239   1HG1  VAL   2          1HG1      VAL   2 -19.076   3.573  -0.807
  240   2HG1  VAL   2          2HG1      VAL   2 -19.361   2.037  -1.627
  241   3HG1  VAL   2          3HG1      VAL   2 -20.622   3.272  -1.606
  242   1HG2  VAL   2          1HG2      VAL   2 -21.083   0.323   0.888
  243   2HG2  VAL   2          2HG2      VAL   2 -22.076   1.094  -0.349
  244   3HG2  VAL   2          3HG2      VAL   2 -20.524   0.372  -0.785
  245    H    GLN   3           H        GLN   3 -19.958   4.289   2.136
  246    HA   GLN   3           HA       GLN   3 -18.122   6.043   1.014
  247   1HB   GLN   3          1HB       GLN   3 -20.133   6.876   1.973
  248   2HB   GLN   3          2HB       GLN   3 -19.775   6.149   3.530
  249   1HG   GLN   3          1HG       GLN   3 -17.925   7.718   3.829
  250   2HG   GLN   3          2HG       GLN   3 -18.316   8.455   2.275
  251   1HE2  GLN   3          1HE2      GLN   3 -20.269   9.529   5.600
  252   2HE2  GLN   3          2HE2      GLN   3 -18.918   8.445   5.587
  253    H    ALA   4           H        ALA   4 -18.046   4.288   4.046
  254    HA   ALA   4           HA       ALA   4 -15.703   5.416   5.120
  255   1HB   ALA   4          1HB       ALA   4 -16.977   2.723   5.593
  256   2HB   ALA   4          2HB       ALA   4 -15.710   3.437   6.592
  257   3HB   ALA   4          3HB       ALA   4 -17.293   4.209   6.491
  258    H    LEU   5           H        LEU   5 -16.242   2.432   3.264
  259    HA   LEU   5           HA       LEU   5 -13.546   1.618   3.292
  260   1HB   LEU   5          1HB       LEU   5 -15.818   0.881   1.460
  261   2HB   LEU   5          2HB       LEU   5 -14.245   0.109   1.418
  262    HG   LEU   5           HG       LEU   5 -16.144   0.091   3.768
  263   1HD1  LEU   5          1HD1      LEU   5 -16.330  -1.374   1.466
  264   2HD1  LEU   5          2HD1      LEU   5 -15.408  -2.439   2.525
  265   3HD1  LEU   5          3HD1      LEU   5 -16.983  -1.837   3.037
  266   1HD2  LEU   5          1HD2      LEU   5 -13.359  -0.281   3.693
  267   2HD2  LEU   5          2HD2      LEU   5 -14.460  -0.604   5.030
  268   3HD2  LEU   5          3HD2      LEU   5 -14.077  -1.881   3.874
  269    H    LYS   6           H        LYS   6 -15.379   3.622   1.015
  270    HA   LYS   6           HA       LYS   6 -13.437   3.609  -1.020
  271   1HB   LYS   6          1HB       LYS   6 -15.472   5.710  -0.279
  272   2HB   LYS   6          2HB       LYS   6 -14.514   5.736  -1.753
  273   1HG   LYS   6          1HG       LYS   6 -15.492   3.579  -2.406
  274   2HG   LYS   6          2HG       LYS   6 -16.488   3.615  -0.950
  275   1HD   LYS   6          1HD       LYS   6 -17.827   4.390  -2.750
  276   2HD   LYS   6          2HD       LYS   6 -17.425   5.784  -1.748
  277   1HE   LYS   6          1HE       LYS   6 -15.734   6.486  -3.306
  278   2HE   LYS   6          2HE       LYS   6 -15.932   5.010  -4.250
  279   1HZ   LYS   6          1HZ       LYS   6 -18.022   7.084  -3.875
  280   2HZ   LYS   6          2HZ       LYS   6 -17.050   6.922  -5.258
  281   3HZ   LYS   6          3HZ       LYS   6 -18.155   5.697  -4.836
  282    H    LYS   7           H        LYS   7 -13.873   5.649   1.819
  283    HA   LYS   7           HA       LYS   7 -11.718   7.413   1.240
  284   1HB   LYS   7          1HB       LYS   7 -13.419   6.837   3.618
  285   2HB   LYS   7          2HB       LYS   7 -11.886   7.655   3.896
  286   1HG   LYS   7          1HG       LYS   7 -13.653   9.273   3.664
  287   2HG   LYS   7          2HG       LYS   7 -12.540   9.399   2.303
  288   1HD   LYS   7          1HD       LYS   7 -14.134   7.983   0.981
  289   2HD   LYS   7          2HD       LYS   7 -15.269   8.118   2.326
  290   1HE   LYS   7          1HE       LYS   7 -15.256  10.546   2.103
  291   2HE   LYS   7          2HE       LYS   7 -14.110  10.424   0.770
  292   1HZ   LYS   7          1HZ       LYS   7 -16.158   8.802   0.011
  293   2HZ   LYS   7          2HZ       LYS   7 -16.957  10.089   0.767
  294   3HZ   LYS   7          3HZ       LYS   7 -15.901  10.389  -0.525
  295    H    ARG   8           H        ARG   8 -12.001   4.295   2.758
  296    HA   ARG   8           HA       ARG   8  -9.441   4.214   3.989
  297   1HB   ARG   8          1HB       ARG   8 -11.337   2.629   4.482
  298   2HB   ARG   8          2HB       ARG   8 -11.041   1.879   2.919
  299   1HG   ARG   8          1HG       ARG   8  -9.927   0.514   4.441
  300   2HG   ARG   8          2HG       ARG   8  -8.654   1.515   3.740
  301   1HD   ARG   8          1HD       ARG   8  -9.229   3.081   5.778
  302   2HD   ARG   8          2HD       ARG   8  -9.849   1.582   6.465
  303    HE   ARG   8           HE       ARG   8  -7.142   2.356   6.266
  304   1HH1  ARG   8          1HH1      ARG   8  -9.215  -0.468   6.039
  305   2HH1  ARG   8          2HH1      ARG   8  -7.924  -1.602   6.305
  306   1HH2  ARG   8          1HH2      ARG   8  -5.456   0.898   6.668
  307   2HH2  ARG   8          2HH2      ARG   8  -5.763  -0.822   6.648
  308    H    VAL   9           H        VAL   9 -10.730   3.166   0.881
  309    HA   VAL   9           HA       VAL   9  -8.437   2.021  -0.225
  310    HB   VAL   9           HB       VAL   9 -10.745   3.453  -1.560
  311   1HG1  VAL   9          1HG1      VAL   9  -8.391   2.034  -2.732
  312   2HG1  VAL   9          2HG1      VAL   9  -9.950   1.986  -3.553
  313   3HG1  VAL   9          3HG1      VAL   9  -9.166   3.534  -3.243
  314   1HG2  VAL   9          1HG2      VAL   9 -11.209   1.382  -0.230
  315   2HG2  VAL   9          2HG2      VAL   9 -11.657   1.284  -1.932
  316   3HG2  VAL   9          3HG2      VAL   9 -10.183   0.503  -1.362
  317    H    GLN  10           H        GLN  10  -9.645   5.357  -0.443
  318    HA   GLN  10           HA       GLN  10  -7.561   6.347  -2.047
  319   1HB   GLN  10          1HB       GLN  10  -9.299   7.815  -0.060
  320   2HB   GLN  10          2HB       GLN  10  -8.298   8.578  -1.286
  321   1HG   GLN  10          1HG       GLN  10 -10.612   6.727  -1.815
  322   2HG   GLN  10          2HG       GLN  10 -10.649   8.485  -1.935
  323   1HE2  GLN  10          1HE2      GLN  10  -9.509   8.537  -5.188
  324   2HE2  GLN  10          2HE2      GLN  10 -10.269   9.334  -3.852
  325    H    ALA  11           H        ALA  11  -7.906   6.121   1.465
  326    HA   ALA  11           HA       ALA  11  -5.567   7.602   2.093
  327   1HB   ALA  11          1HB       ALA  11  -7.632   6.754   3.557
  328   2HB   ALA  11          2HB       ALA  11  -6.472   5.484   3.951
  329   3HB   ALA  11          3HB       ALA  11  -6.068   7.172   4.259
  330    H    LEU  12           H        LEU  12  -6.229   4.128   1.793
  331    HA   LEU  12           HA       LEU  12  -3.648   3.231   2.456
  332   1HB   LEU  12          1HB       LEU  12  -5.864   2.029   0.828
  333   2HB   LEU  12          2HB       LEU  12  -4.334   1.206   1.031
  334    HG   LEU  12           HG       LEU  12  -5.956   2.091   3.398
  335   1HD1  LEU  12          1HD1      LEU  12  -7.312   0.641   1.860
  336   2HD1  LEU  12          2HD1      LEU  12  -6.094  -0.615   2.077
  337   3HD1  LEU  12          3HD1      LEU  12  -7.025  -0.041   3.460
  338   1HD2  LEU  12          1HD2      LEU  12  -3.526   0.524   2.883
  339   2HD2  LEU  12          2HD2      LEU  12  -4.030   1.385   4.339
  340   3HD2  LEU  12          3HD2      LEU  12  -4.657  -0.231   4.005
  341    H    LYS  13           H        LYS  13  -5.112   3.830  -0.747
  342    HA   LYS  13           HA       LYS  13  -2.855   3.163  -2.270
  343   1HB   LYS  13          1HB       LYS  13  -5.263   4.861  -2.731
  344   2HB   LYS  13          2HB       LYS  13  -3.936   4.981  -3.873
  345   1HG   LYS  13          1HG       LYS  13  -5.766   3.382  -4.501
  346   2HG   LYS  13          2HG       LYS  13  -4.138   2.706  -4.503
  347   1HD   LYS  13          1HD       LYS  13  -4.522   1.509  -2.518
  348   2HD   LYS  13          2HD       LYS  13  -5.955   2.457  -2.122
  349   1HE   LYS  13          1HE       LYS  13  -6.559   0.222  -2.889
  350   2HE   LYS  13          2HE       LYS  13  -7.151   1.456  -3.995
  351   1HZ   LYS  13          1HZ       LYS  13  -4.672  -0.128  -4.421
  352   2HZ   LYS  13          2HZ       LYS  13  -6.179  -0.486  -5.115
  353   3HZ   LYS  13          3HZ       LYS  13  -5.383   0.961  -5.514
  354    H    ALA  14           H        ALA  14  -3.682   6.149  -0.602
  355    HA   ALA  14           HA       ALA  14  -1.624   7.736  -1.772
  356   1HB   ALA  14          1HB       ALA  14  -3.632   8.630  -0.572
  357   2HB   ALA  14          2HB       ALA  14  -2.880   8.122   0.939
  358   3HB   ALA  14          3HB       ALA  14  -2.099   9.341  -0.069
  359    H    ARG  15           H        ARG  15  -1.873   5.735   1.114
  360    HA   ARG  15           HA       ARG  15   0.702   6.323   2.171
  361   1HB   ARG  15          1HB       ARG  15  -1.556   5.028   3.045
  362   2HB   ARG  15          2HB       ARG  15  -0.476   3.678   2.731
  363   1HG   ARG  15          1HG       ARG  15   0.087   6.011   4.535
  364   2HG   ARG  15          2HG       ARG  15  -0.363   4.384   5.044
  365   1HD   ARG  15          1HD       ARG  15   1.673   3.509   4.023
  366   2HD   ARG  15          2HD       ARG  15   2.116   5.133   3.504
  367    HE   ARG  15           HE       ARG  15   2.788   5.623   5.642
  368   1HH1  ARG  15          1HH1      ARG  15   1.203   2.493   5.643
  369   2HH1  ARG  15          2HH1      ARG  15   1.443   2.226   7.340
  370   1HH2  ARG  15          1HH2      ARG  15   3.093   5.297   7.854
  371   2HH2  ARG  15          2HH2      ARG  15   2.513   3.840   8.610
  372    H    ASN  16           H        ASN  16  -0.679   3.743   0.260
  373    HA   ASN  16           HA       ASN  16   1.534   2.083  -0.056
  374   1HB   ASN  16          1HB       ASN  16  -0.984   2.588  -1.609
  375   2HB   ASN  16          2HB       ASN  16   0.242   1.537  -2.291
  376   1HD2  ASN  16          1HD2      ASN  16  -1.060  -1.162  -0.592
  377   2HD2  ASN  16          2HD2      ASN  16  -0.407  -0.486  -2.040
  378    H    TYR  17           H        TYR  17   0.395   4.841  -1.923
  379    HA   TYR  17           HA       TYR  17   2.218   4.736  -4.031
  380   1HB   TYR  17          1HB       TYR  17   0.131   6.251  -3.623
  381   2HB   TYR  17          2HB       TYR  17   1.283   7.341  -2.865
  382    HD1  TYR  17           HD1      TYR  17   3.497   7.721  -4.423
  383    HD2  TYR  17           HD2      TYR  17  -0.382   6.649  -5.808
  384    HE1  TYR  17           HE1      TYR  17   4.047   8.615  -6.645
  385    HE2  TYR  17           HE2      TYR  17   0.160   7.541  -8.035
  386    HH   TYR  17           HH       TYR  17   1.981   8.112  -9.395
  387    H    ALA  18           H        ALA  18   2.420   6.519  -0.942
  388    HA   ALA  18           HA       ALA  18   5.003   7.574  -1.399
  389   1HB   ALA  18          1HB       ALA  18   3.075   7.658   0.686
  390   2HB   ALA  18          2HB       ALA  18   4.633   7.227   1.383
  391   3HB   ALA  18          3HB       ALA  18   4.471   8.701   0.433
  392    H    ALA  19           H        ALA  19   3.895   4.686   0.336
  393    HA   ALA  19           HA       ALA  19   6.390   3.856   1.286
  394   1HB   ALA  19          1HB       ALA  19   3.925   2.271   0.613
  395   2HB   ALA  19          2HB       ALA  19   5.340   1.592   1.417
  396   3HB   ALA  19          3HB       ALA  19   4.419   2.882   2.191
  397    H    LYS  20           H        LYS  20   4.757   3.238  -1.794
  398    HA   LYS  20           HA       LYS  20   6.662   1.381  -2.776
  399   1HB   LYS  20          1HB       LYS  20   4.657   3.154  -4.171
  400   2HB   LYS  20          2HB       LYS  20   5.724   2.065  -5.052
  401   1HG   LYS  20          1HG       LYS  20   4.791   0.160  -3.930
  402   2HG   LYS  20          2HG       LYS  20   3.821   1.204  -2.892
  403   1HD   LYS  20          1HD       LYS  20   2.588   2.002  -4.847
  404   2HD   LYS  20          2HD       LYS  20   3.559   0.957  -5.888
  405   1HE   LYS  20          1HE       LYS  20   2.710  -1.007  -4.750
  406   2HE   LYS  20          2HE       LYS  20   1.812   0.008  -3.622
  407   1HZ   LYS  20          1HZ       LYS  20   1.336   0.157  -6.537
  408   2HZ   LYS  20          2HZ       LYS  20   0.556  -1.001  -5.568
  409   3HZ   LYS  20          3HZ       LYS  20   0.323   0.648  -5.264
  410    H    GLN  21           H        GLN  21   6.423   4.913  -2.904
  411    HA   GLN  21           HA       GLN  21   8.638   5.295  -4.657
  412   1HB   GLN  21          1HB       GLN  21   7.656   7.209  -2.521
  413   2HB   GLN  21          2HB       GLN  21   8.647   7.610  -3.916
  414   1HG   GLN  21          1HG       GLN  21   5.744   6.910  -3.802
  415   2HG   GLN  21          2HG       GLN  21   6.523   8.334  -4.494
  416   1HE2  GLN  21          1HE2      GLN  21   5.632   5.238  -6.791
  417   2HE2  GLN  21          2HE2      GLN  21   5.024   5.527  -5.192
  418    H    LYS  22           H        LYS  22   8.205   4.973  -1.210
  419    HA   LYS  22           HA       LYS  22  10.818   5.583  -0.367
  420   1HB   LYS  22          1HB       LYS  22   8.396   4.478   0.774
  421   2HB   LYS  22          2HB       LYS  22   9.804   3.601   1.354
  422   1HG   LYS  22          1HG       LYS  22   9.541   6.596   1.471
  423   2HG   LYS  22          2HG       LYS  22   9.088   5.511   2.788
  424   1HD   LYS  22          1HD       LYS  22  11.432   4.595   2.697
  425   2HD   LYS  22          2HD       LYS  22  11.822   5.906   1.584
  426   1HE   LYS  22          1HE       LYS  22  10.723   6.292   4.363
  427   2HE   LYS  22          2HE       LYS  22  12.433   6.370   3.948
  428   1HZ   LYS  22          1HZ       LYS  22  10.521   8.085   2.509
  429   2HZ   LYS  22          2HZ       LYS  22  11.028   8.528   4.063
  430   3HZ   LYS  22          3HZ       LYS  22  12.168   8.332   2.826
  431    H    VAL  23           H        VAL  23   9.269   2.519  -1.290
  432    HA   VAL  23           HA       VAL  23  11.431   0.804  -0.811
  433    HB   VAL  23           HB       VAL  23   9.312   0.571  -2.960
  434   1HG1  VAL  23          1HG1      VAL  23  11.374  -0.823  -3.292
  435   2HG1  VAL  23          2HG1      VAL  23  10.976  -1.645  -1.784
  436   3HG1  VAL  23          3HG1      VAL  23   9.868  -1.728  -3.155
  437   1HG2  VAL  23          1HG2      VAL  23   9.371  -0.136  -0.067
  438   2HG2  VAL  23          2HG2      VAL  23   8.056   0.518  -1.043
  439   3HG2  VAL  23          3HG2      VAL  23   8.489  -1.188  -1.177
  440    H    GLN  24           H        GLN  24  10.502   2.541  -3.762
  441    HA   GLN  24           HA       GLN  24  12.660   1.617  -5.332
  442   1HB   GLN  24          1HB       GLN  24  11.013   4.140  -5.620
  443   2HB   GLN  24          2HB       GLN  24  12.063   3.465  -6.858
  444   1HG   GLN  24          1HG       GLN  24  10.683   1.493  -7.010
  445   2HG   GLN  24          2HG       GLN  24   9.671   2.064  -5.688
  446   1HE2  GLN  24          1HE2      GLN  24   9.071   4.856  -8.380
  447   2HE2  GLN  24          2HE2      GLN  24  10.385   4.786  -7.260
  448    H    ALA  25           H        ALA  25  12.231   4.457  -3.275
  449    HA   ALA  25           HA       ALA  25  14.632   5.775  -4.015
  450   1HB   ALA  25          1HB       ALA  25  12.747   5.985  -1.707
  451   2HB   ALA  25          2HB       ALA  25  14.311   6.795  -1.621
  452   3HB   ALA  25          3HB       ALA  25  13.183   7.193  -2.917
  453    H    LEU  26           H        LEU  26  13.791   3.565  -1.391
  454    HA   LEU  26           HA       LEU  26  16.329   3.507  -0.161
  455   1HB   LEU  26          1HB       LEU  26  14.123   1.446  -0.216
  456   2HB   LEU  26          2HB       LEU  26  15.531   1.356   0.821
  457    HG   LEU  26           HG       LEU  26  13.457   3.544   0.924
  458   1HD1  LEU  26          1HD1      LEU  26  12.794   1.174   1.622
  459   2HD1  LEU  26          2HD1      LEU  26  13.893   1.417   2.978
  460   3HD1  LEU  26          3HD1      LEU  26  12.512   2.490   2.762
  461   1HD2  LEU  26          1HD2      LEU  26  15.813   2.909   2.693
  462   2HD2  LEU  26          2HD2      LEU  26  15.625   4.324   1.659
  463   3HD2  LEU  26          3HD2      LEU  26  14.567   4.103   3.057
  464    H    ARG  27           H        ARG  27  14.875   1.673  -2.796
  465    HA   ARG  27           HA       ARG  27  16.889  -0.293  -3.038
  466   1HB   ARG  27          1HB       ARG  27  14.494   0.259  -4.326
  467   2HB   ARG  27          2HB       ARG  27  15.693   0.535  -5.583
  468   1HG   ARG  27          1HG       ARG  27  15.214  -1.689  -5.870
  469   2HG   ARG  27          2HG       ARG  27  16.624  -1.771  -4.808
  470   1HD   ARG  27          1HD       ARG  27  14.910  -1.745  -2.897
  471   2HD   ARG  27          2HD       ARG  27  13.729  -2.155  -4.141
  472    HE   ARG  27           HE       ARG  27  15.932  -3.911  -4.310
  473   1HH1  ARG  27          1HH1      ARG  27  13.116  -3.250  -2.353
  474   2HH1  ARG  27          2HH1      ARG  27  13.077  -4.830  -1.623
  475   1HH2  ARG  27          1HH2      ARG  27  15.914  -5.991  -3.351
  476   2HH2  ARG  27          2HH2      ARG  27  14.692  -6.379  -2.174
  477    H    HIS  28           H        HIS  28  16.496   2.927  -4.378
  478    HA   HIS  28           HA       HIS  28  18.688   2.857  -6.167
  479   1HB   HIS  28          1HB       HIS  28  16.773   4.471  -6.249
  480   2HB   HIS  28          2HB       HIS  28  17.428   5.247  -4.815
  481    HD1  HIS  28           HD1      HIS  28  17.269   7.280  -6.791
  482    HD2  HIS  28           HD2      HIS  28  20.380   4.523  -6.963
  483    HE1  HIS  28           HE1      HIS  28  19.061   8.318  -8.237
  484    H    LYS  29           H        LYS  29  18.287   4.049  -2.874
  485    HA   LYS  29           HA       LYS  29  20.974   4.964  -2.611
  486   1HB   LYS  29          1HB       LYS  29  19.097   5.898  -1.310
  487   2HB   LYS  29          2HB       LYS  29  18.905   4.356  -0.494
  488   1HG   LYS  29          1HG       LYS  29  21.162   4.599   0.456
  489   2HG   LYS  29          2HG       LYS  29  21.296   6.181  -0.318
  490   1HD   LYS  29          1HD       LYS  29  19.392   6.986   0.958
  491   2HD   LYS  29          2HD       LYS  29  19.184   5.394   1.689
  492   1HE   LYS  29          1HE       LYS  29  21.407   5.589   2.709
  493   2HE   LYS  29          2HE       LYS  29  21.587   7.192   1.995
  494   1HZ   LYS  29          1HZ       LYS  29  19.154   6.970   3.453
  495   2HZ   LYS  29          2HZ       LYS  29  20.484   6.604   4.440
  496   3HZ   LYS  29          3HZ       LYS  29  20.408   8.094   3.624
  497    H    CYS  30           H        CYS  30  19.220   2.134  -1.407
  498    HA   CYS  30           HA       CYS  30  21.726   0.648  -1.231
  499   1HB   CYS  30          1HB       CYS  30  19.822   1.011   1.088
  500   2HB   CYS  30          2HB       CYS  30  21.119  -0.173   1.046
  501    H    GLY  31           H        GLY  31  20.925  -0.590  -2.951
  502   1HA   GLY  31          1HA       GLY  31  18.376  -1.929  -2.736
  503   2HA   GLY  31          2HA       GLY  31  19.565  -2.144  -4.012
  504   1HN   NH2  32          1HN       NH2  32  18.665  -3.074  -0.760
  505   2HN   NH2  32          2HN       NH2  32  19.596  -4.540  -0.711
  Start of MODEL   11
    1   1H    ACE   0          1H        ACE   0 -18.218   0.794  -6.866
    2   2H    ACE   0          2H        ACE   0 -19.700   0.381  -7.736
    3   3H    ACE   0          3H        ACE   0 -18.394  -0.802  -7.603
    4    H    GLU   1           H        GLU   1 -19.718  -2.347  -6.625
    5    HA   GLU   1           HA       GLU   1 -21.275  -1.822  -4.305
    6   1HB   GLU   1          1HB       GLU   1 -21.659  -3.705  -5.912
    7   2HB   GLU   1          2HB       GLU   1 -20.211  -4.480  -5.288
    8   1HG   GLU   1          1HG       GLU   1 -22.207  -5.441  -4.301
    9   2HG   GLU   1          2HG       GLU   1 -21.230  -4.627  -3.078
   10    H    VAL   2           H        VAL   2 -20.886  -2.943  -2.188
   11    HA   VAL   2           HA       VAL   2 -18.524  -2.102  -0.982
   12    HB   VAL   2           HB       VAL   2 -20.156  -4.423   0.030
   13   1HG1  VAL   2          1HG1      VAL   2 -18.037  -2.782   1.095
   14   2HG1  VAL   2          2HG1      VAL   2 -19.481  -2.702   2.106
   15   3HG1  VAL   2          3HG1      VAL   2 -18.750  -4.261   1.735
   16   1HG2  VAL   2          1HG2      VAL   2 -21.359  -2.161  -0.737
   17   2HG2  VAL   2          2HG2      VAL   2 -21.882  -3.098   0.662
   18   3HG2  VAL   2          3HG2      VAL   2 -20.854  -1.681   0.882
   19    H    ALA   3           H        ALA   3 -19.410  -5.336  -2.172
   20    HA   ALA   3           HA       ALA   3 -17.115  -6.720  -1.391
   21   1HB   ALA   3          1HB       ALA   3 -19.396  -7.374  -2.760
   22   2HB   ALA   3          2HB       ALA   3 -18.150  -7.542  -3.999
   23   3HB   ALA   3          3HB       ALA   3 -18.021  -8.446  -2.490
   24    H    GLN   4           H        GLN   4 -17.789  -4.872  -4.328
   25    HA   GLN   4           HA       GLN   4 -15.437  -5.394  -5.749
   26   1HB   GLN   4          1HB       GLN   4 -17.092  -2.872  -5.647
   27   2HB   GLN   4          2HB       GLN   4 -15.872  -3.222  -6.867
   28   1HG   GLN   4          1HG       GLN   4 -18.375  -4.826  -6.390
   29   2HG   GLN   4          2HG       GLN   4 -18.148  -3.633  -7.672
   30   1HE2  GLN   4          1HE2      GLN   4 -17.153  -7.365  -8.364
   31   2HE2  GLN   4          2HE2      GLN   4 -18.256  -6.798  -7.147
   32    H    LEU   5           H        LEU   5 -16.233  -2.849  -3.452
   33    HA   LEU   5           HA       LEU   5 -13.740  -1.542  -3.517
   34   1HB   LEU   5          1HB       LEU   5 -15.960  -1.620  -1.493
   35   2HB   LEU   5          2HB       LEU   5 -14.554  -0.584  -1.317
   36    HG   LEU   5           HG       LEU   5 -16.489  -0.480  -3.630
   37   1HD1  LEU   5          1HD1      LEU   5 -16.409   0.912  -1.007
   38   2HD1  LEU   5          2HD1      LEU   5 -16.908   1.830  -2.428
   39   3HD1  LEU   5          3HD1      LEU   5 -17.789   0.375  -1.965
   40   1HD2  LEU   5          1HD2      LEU   5 -14.143   0.245  -4.080
   41   2HD2  LEU   5          2HD2      LEU   5 -15.352   1.514  -4.281
   42   3HD2  LEU   5          3HD2      LEU   5 -14.345   1.477  -2.834
   43    H    GLU   6           H        GLU   6 -15.037  -4.143  -1.506
   44    HA   GLU   6           HA       GLU   6 -12.910  -4.307   0.339
   45   1HB   GLU   6          1HB       GLU   6 -14.911  -6.319  -0.685
   46   2HB   GLU   6          2HB       GLU   6 -13.674  -6.770   0.480
   47   1HG   GLU   6          1HG       GLU   6 -15.577  -4.500   0.962
   48   2HG   GLU   6          2HG       GLU   6 -15.967  -6.169   1.375
   49    H    LYS   7           H        LYS   7 -13.450  -5.758  -2.829
   50    HA   LYS   7           HA       LYS   7 -11.109  -7.373  -2.842
   51   1HB   LYS   7          1HB       LYS   7 -12.775  -6.284  -5.128
   52   2HB   LYS   7          2HB       LYS   7 -11.517  -7.501  -5.297
   53   1HG   LYS   7          1HG       LYS   7 -12.751  -9.096  -4.092
   54   2HG   LYS   7          2HG       LYS   7 -13.876  -7.885  -3.483
   55   1HD   LYS   7          1HD       LYS   7 -15.046  -9.042  -5.163
   56   2HD   LYS   7          2HD       LYS   7 -14.551  -7.524  -5.906
   57   1HE   LYS   7          1HE       LYS   7 -12.940 -10.043  -6.185
   58   2HE   LYS   7          2HE       LYS   7 -14.268  -9.655  -7.275
   59   1HZ   LYS   7          1HZ       LYS   7 -12.742  -7.383  -7.204
   60   2HZ   LYS   7          2HZ       LYS   7 -11.601  -8.641  -7.249
   61   3HZ   LYS   7          3HZ       LYS   7 -12.789  -8.522  -8.453
   62    H    GLU   8           H        GLU   8 -11.840  -4.089  -3.769
   63    HA   GLU   8           HA       GLU   8  -9.370  -3.548  -5.101
   64   1HB   GLU   8          1HB       GLU   8 -11.349  -2.225  -5.580
   65   2HB   GLU   8          2HB       GLU   8 -11.498  -1.758  -3.894
   66   1HG   GLU   8          1HG       GLU   8 -10.606   0.121  -4.840
   67   2HG   GLU   8          2HG       GLU   8  -9.166  -0.697  -4.238
   68    H    VAL   9           H        VAL   9 -10.650  -2.914  -1.846
   69    HA   VAL   9           HA       VAL   9  -8.380  -1.573  -0.849
   70    HB   VAL   9           HB       VAL   9 -10.529  -3.148   0.597
   71   1HG1  VAL   9          1HG1      VAL   9  -8.012  -2.103   1.595
   72   2HG1  VAL   9          2HG1      VAL   9  -9.397  -1.365   2.407
   73   3HG1  VAL   9          3HG1      VAL   9  -9.208  -3.115   2.400
   74   1HG2  VAL   9          1HG2      VAL   9 -10.501  -0.587  -0.580
   75   2HG2  VAL   9          2HG2      VAL   9 -11.755  -1.305   0.432
   76   3HG2  VAL   9          3HG2      VAL   9 -10.470  -0.346   1.166
   77    H    ALA  10           H        ALA  10  -9.334  -4.969  -0.905
   78    HA   ALA  10           HA       ALA  10  -7.095  -5.926   0.551
   79   1HB   ALA  10          1HB       ALA  10  -8.960  -7.328  -1.358
   80   2HB   ALA  10          2HB       ALA  10  -7.738  -8.142  -0.380
   81   3HB   ALA  10          3HB       ALA  10  -9.067  -7.288   0.404
   82    H    GLN  11           H        GLN  11  -7.643  -5.075  -2.779
   83    HA   GLN  11           HA       GLN  11  -5.401  -6.461  -3.870
   84   1HB   GLN  11          1HB       GLN  11  -7.472  -5.485  -5.107
   85   2HB   GLN  11          2HB       GLN  11  -6.594  -3.965  -5.048
   86   1HG   GLN  11          1HG       GLN  11  -6.274  -5.157  -7.170
   87   2HG   GLN  11          2HG       GLN  11  -4.764  -4.893  -6.298
   88   1HE2  GLN  11          1HE2      GLN  11  -3.921  -8.249  -6.337
   89   2HE2  GLN  11          2HE2      GLN  11  -3.450  -6.582  -6.243
   90    H    ALA  12           H        ALA  12  -6.041  -3.123  -2.904
   91    HA   ALA  12           HA       ALA  12  -3.431  -2.188  -3.451
   92   1HB   ALA  12          1HB       ALA  12  -5.874  -1.078  -2.464
   93   2HB   ALA  12          2HB       ALA  12  -4.521  -0.544  -1.468
   94   3HB   ALA  12          3HB       ALA  12  -4.497  -0.269  -3.209
   95    H    GLU  13           H        GLU  13  -5.023  -3.354  -0.501
   96    HA   GLU  13           HA       GLU  13  -2.882  -2.839   1.250
   97   1HB   GLU  13          1HB       GLU  13  -5.303  -4.546   1.323
   98   2HB   GLU  13          2HB       GLU  13  -4.007  -4.976   2.430
   99   1HG   GLU  13          1HG       GLU  13  -5.208  -2.222   2.251
  100   2HG   GLU  13          2HG       GLU  13  -5.749  -3.465   3.378
  101    H    ALA  14           H        ALA  14  -3.544  -5.574  -0.882
  102    HA   ALA  14           HA       ALA  14  -1.548  -7.301   0.139
  103   1HB   ALA  14          1HB       ALA  14  -3.480  -7.625  -1.699
  104   2HB   ALA  14          2HB       ALA  14  -2.101  -7.383  -2.769
  105   3HB   ALA  14          3HB       ALA  14  -2.078  -8.690  -1.583
  106    H    GLU  15           H        GLU  15  -1.561  -5.084  -2.631
  107    HA   GLU  15           HA       GLU  15   1.104  -5.281  -3.371
  108   1HB   GLU  15          1HB       GLU  15  -1.026  -4.081  -4.389
  109   2HB   GLU  15          2HB       GLU  15  -0.388  -2.693  -3.520
  110   1HG   GLU  15          1HG       GLU  15   1.720  -2.915  -4.718
  111   2HG   GLU  15          2HG       GLU  15   1.052  -4.308  -5.568
  112    H    ASN  16           H        ASN  16  -0.532  -2.934  -1.290
  113    HA   ASN  16           HA       ASN  16   1.593  -1.337  -0.528
  114   1HB   ASN  16          1HB       ASN  16  -0.877  -1.032  -0.058
  115   2HB   ASN  16          2HB       ASN  16  -0.702  -2.180   1.257
  116   1HD2  ASN  16          1HD2      ASN  16  -0.064   1.633   1.907
  117   2HD2  ASN  16          2HD2      ASN  16  -0.917   0.962   0.557
  118    H    TYR  17           H        TYR  17   0.383  -4.285   1.006
  119    HA   TYR  17           HA       TYR  17   2.138  -4.371   3.184
  120   1HB   TYR  17          1HB       TYR  17   0.101  -5.811   2.867
  121   2HB   TYR  17          2HB       TYR  17   1.004  -6.746   1.684
  122    HD1  TYR  17           HD1      TYR  17   3.193  -7.874   2.516
  123    HD2  TYR  17           HD2      TYR  17   0.156  -6.396   5.111
  124    HE1  TYR  17           HE1      TYR  17   4.046  -9.303   4.321
  125    HE2  TYR  17           HE2      TYR  17   1.006  -7.825   6.921
  126    HH   TYR  17           HH       TYR  17   3.524  -8.895   7.389
  127    H    GLN  18           H        GLN  18   2.463  -5.573  -0.121
  128    HA   GLN  18           HA       GLN  18   4.995  -6.815   0.336
  129   1HB   GLN  18          1HB       GLN  18   3.541  -6.041  -2.194
  130   2HB   GLN  18          2HB       GLN  18   5.088  -6.880  -2.189
  131   1HG   GLN  18          1HG       GLN  18   4.116  -8.753  -1.016
  132   2HG   GLN  18          2HG       GLN  18   2.578  -7.902  -0.883
  133   1HE2  GLN  18          1HE2      GLN  18   3.287 -10.181  -4.037
  134   2HE2  GLN  18          2HE2      GLN  18   4.194 -10.204  -2.563
  135    H    LEU  19           H        LEU  19   3.960  -3.650  -0.823
  136    HA   LEU  19           HA       LEU  19   6.522  -2.770  -1.688
  137   1HB   LEU  19          1HB       LEU  19   4.353  -0.973  -0.615
  138   2HB   LEU  19          2HB       LEU  19   5.611  -0.573  -1.765
  139    HG   LEU  19           HG       LEU  19   3.187  -2.299  -2.258
  140   1HD1  LEU  19          1HD1      LEU  19   4.043   0.367  -3.362
  141   2HD1  LEU  19          2HD1      LEU  19   2.628  -0.551  -3.872
  142   3HD1  LEU  19          3HD1      LEU  19   2.726   0.072  -2.227
  143   1HD2  LEU  19          1HD2      LEU  19   5.606  -1.785  -3.951
  144   2HD2  LEU  19          2HD2      LEU  19   4.846  -3.324  -3.539
  145   3HD2  LEU  19          3HD2      LEU  19   4.045  -2.211  -4.651
  146    H    GLU  20           H        GLU  20   4.697  -2.050   1.309
  147    HA   GLU  20           HA       GLU  20   6.863  -0.665   2.482
  148   1HB   GLU  20          1HB       GLU  20   4.411  -1.892   3.727
  149   2HB   GLU  20          2HB       GLU  20   5.563  -0.888   4.604
  150   1HG   GLU  20          1HG       GLU  20   5.125   0.793   2.654
  151   2HG   GLU  20          2HG       GLU  20   3.644  -0.140   2.453
  152    H    GLN  21           H        GLN  21   6.067  -4.048   2.343
  153    HA   GLN  21           HA       GLN  21   7.759  -4.878   4.488
  154   1HB   GLN  21          1HB       GLN  21   5.962  -6.301   3.451
  155   2HB   GLN  21          2HB       GLN  21   6.960  -6.429   2.011
  156   1HG   GLN  21          1HG       GLN  21   7.362  -8.400   3.155
  157   2HG   GLN  21          2HG       GLN  21   8.748  -7.389   3.552
  158   1HE2  GLN  21          1HE2      GLN  21   6.292  -7.013   6.664
  159   2HE2  GLN  21          2HE2      GLN  21   6.075  -6.221   5.145
  160    H    GLU  22           H        GLU  22   8.073  -4.269   1.071
  161    HA   GLU  22           HA       GLU  22  10.773  -5.143   0.805
  162   1HB   GLU  22          1HB       GLU  22   9.201  -5.088  -1.084
  163   2HB   GLU  22          2HB       GLU  22   9.091  -3.339  -0.949
  164   1HG   GLU  22          1HG       GLU  22  11.136  -2.998  -1.886
  165   2HG   GLU  22          2HG       GLU  22  11.761  -4.544  -1.329
  166    H    VAL  23           H        VAL  23   9.162  -2.015   1.221
  167    HA   VAL  23           HA       VAL  23  11.425  -0.361   1.085
  168    HB   VAL  23           HB       VAL  23   8.860  -0.006   2.646
  169   1HG1  VAL  23          1HG1      VAL  23  11.242   1.767   2.401
  170   2HG1  VAL  23          2HG1      VAL  23   9.634   2.481   2.501
  171   3HG1  VAL  23          3HG1      VAL  23  10.218   1.444   3.801
  172   1HG2  VAL  23          1HG2      VAL  23   9.818   1.128   0.024
  173   2HG2  VAL  23          2HG2      VAL  23   8.519  -0.040   0.259
  174   3HG2  VAL  23          3HG2      VAL  23   8.339   1.615   0.848
  175    H    ALA  24           H        ALA  24   9.828  -1.867   3.883
  176    HA   ALA  24           HA       ALA  24  11.592  -0.924   5.841
  177   1HB   ALA  24          1HB       ALA  24   9.722  -3.252   5.688
  178   2HB   ALA  24          2HB       ALA  24  10.834  -3.107   7.050
  179   3HB   ALA  24          3HB       ALA  24   9.662  -1.829   6.730
  180    H    GLN  25           H        GLN  25  11.670  -3.780   3.794
  181    HA   GLN  25           HA       GLN  25  13.890  -5.051   4.971
  182   1HB   GLN  25          1HB       GLN  25  12.350  -6.187   3.432
  183   2HB   GLN  25          2HB       GLN  25  12.882  -5.151   2.119
  184   1HG   GLN  25          1HG       GLN  25  15.138  -6.097   2.306
  185   2HG   GLN  25          2HG       GLN  25  14.564  -7.171   3.580
  186   1HE2  GLN  25          1HE2      GLN  25  13.572  -9.582   1.339
  187   2HE2  GLN  25          2HE2      GLN  25  14.128  -9.137   2.919
  188    H    LEU  26           H        LEU  26  13.622  -2.842   2.194
  189    HA   LEU  26           HA       LEU  26  16.372  -2.768   1.594
  190   1HB   LEU  26          1HB       LEU  26  14.311  -0.612   1.112
  191   2HB   LEU  26          2HB       LEU  26  15.876  -0.728   0.335
  192    HG   LEU  26           HG       LEU  26  13.560  -2.637  -0.014
  193   1HD1  LEU  26          1HD1      LEU  26  14.837  -0.622  -1.861
  194   2HD1  LEU  26          2HD1      LEU  26  13.648  -1.823  -2.359
  195   3HD1  LEU  26          3HD1      LEU  26  13.202  -0.572  -1.200
  196   1HD2  LEU  26          1HD2      LEU  26  16.144  -3.382  -0.118
  197   2HD2  LEU  26          2HD2      LEU  26  14.879  -4.080  -1.132
  198   3HD2  LEU  26          3HD2      LEU  26  15.918  -2.807  -1.770
  199    H    GLU  27           H        GLU  27  14.380  -0.409   3.404
  200    HA   GLU  27           HA       GLU  27  16.406   1.327   4.188
  201   1HB   GLU  27          1HB       GLU  27  13.795   0.517   5.441
  202   2HB   GLU  27          2HB       GLU  27  14.870   1.616   6.285
  203   1HG   GLU  27          1HG       GLU  27  13.950   2.164   3.485
  204   2HG   GLU  27          2HG       GLU  27  12.988   2.612   4.893
  205    H    HIS  28           H        HIS  28  15.199  -1.549   5.891
  206    HA   HIS  28           HA       HIS  28  16.820  -1.348   8.156
  207   1HB   HIS  28          1HB       HIS  28  14.843  -2.792   8.009
  208   2HB   HIS  28          2HB       HIS  28  15.671  -3.820   6.852
  209    HD1  HIS  28           HD1      HIS  28  16.694  -2.555  10.324
  210    HD2  HIS  28           HD2      HIS  28  16.312  -6.056   8.114
  211    HE1  HIS  28           HE1      HIS  28  17.488  -4.440  11.824
  212    H    GLU  29           H        GLU  29  17.352  -3.284   5.195
  213    HA   GLU  29           HA       GLU  29  19.900  -4.231   6.023
  214   1HB   GLU  29          1HB       GLU  29  18.764  -3.990   3.230
  215   2HB   GLU  29          2HB       GLU  29  20.191  -4.914   3.671
  216   1HG   GLU  29          1HG       GLU  29  17.379  -5.444   4.607
  217   2HG   GLU  29          2HG       GLU  29  18.261  -6.354   3.383
  218    H    CYS  30           H        CYS  30  18.803  -1.352   4.487
  219    HA   CYS  30           HA       CYS  30  21.496  -0.519   3.734
  220   1HB   CYS  30          1HB       CYS  30  18.757   0.643   3.249
  221   2HB   CYS  30          2HB       CYS  30  20.232   1.460   2.766
  222    H    GLY  31           H        GLY  31  20.334  -0.692   6.591
  223   1HA   GLY  31          1HA       GLY  31  21.438   0.588   8.346
  224   2HA   GLY  31          2HA       GLY  31  21.181   2.027   7.374
  225   1HN   NH2  32          1HN       NH2  32  19.401  -0.544   9.029
  226   2HN   NH2  32          2HN       NH2  32  18.059   0.449   9.507
  227   1H    ACE   0          1H        ACE   0 -16.789   0.251   6.764
  228   2H    ACE   0          2H        ACE   0 -16.384  -1.141   5.751
  229   3H    ACE   0          3H        ACE   0 -17.710  -1.243   6.916
  230    H    GLU   1           H        GLU   1 -18.155   1.727   5.966
  231    HA   GLU   1           HA       GLU   1 -20.303   1.119   4.208
  232   1HB   GLU   1          1HB       GLU   1 -19.518   3.282   5.793
  233   2HB   GLU   1          2HB       GLU   1 -19.468   3.896   4.148
  234   1HG   GLU   1          1HG       GLU   1 -21.834   2.612   5.496
  235   2HG   GLU   1          2HG       GLU   1 -21.613   4.335   5.188
  236    H    VAL   2           H        VAL   2 -20.578   1.970   2.033
  237    HA   VAL   2           HA       VAL   2 -18.533   1.281   0.265
  238    HB   VAL   2           HB       VAL   2 -21.015   2.952  -0.071
  239   1HG1  VAL   2          1HG1      VAL   2 -18.936   3.558  -1.607
  240   2HG1  VAL   2          2HG1      VAL   2 -19.506   2.144  -2.493
  241   3HG1  VAL   2          3HG1      VAL   2 -20.585   3.514  -2.233
  242   1HG2  VAL   2          1HG2      VAL   2 -20.603   0.251   0.021
  243   2HG2  VAL   2          2HG2      VAL   2 -21.989   1.043  -0.725
  244   3HG2  VAL   2          3HG2      VAL   2 -20.609   0.566  -1.713
  245    H    GLN   3           H        GLN   3 -19.671   4.533   1.163
  246    HA   GLN   3           HA       GLN   3 -17.698   5.985  -0.177
  247   1HB   GLN   3          1HB       GLN   3 -19.747   6.987   0.730
  248   2HB   GLN   3          2HB       GLN   3 -19.178   6.691   2.366
  249   1HG   GLN   3          1HG       GLN   3 -18.800   8.974   1.888
  250   2HG   GLN   3          2HG       GLN   3 -17.234   8.167   1.875
  251   1HE2  GLN   3          1HE2      GLN   3 -18.381   8.611  -1.949
  252   2HE2  GLN   3          2HE2      GLN   3 -19.162   7.512  -0.860
  253    H    ALA   4           H        ALA   4 -17.739   4.573   3.045
  254    HA   ALA   4           HA       ALA   4 -15.346   5.689   4.016
  255   1HB   ALA   4          1HB       ALA   4 -16.925   3.237   4.699
  256   2HB   ALA   4          2HB       ALA   4 -15.406   3.604   5.517
  257   3HB   ALA   4          3HB       ALA   4 -16.756   4.735   5.612
  258    H    LEU   5           H        LEU   5 -16.011   2.627   2.334
  259    HA   LEU   5           HA       LEU   5 -13.344   1.685   2.390
  260   1HB   LEU   5          1HB       LEU   5 -15.681   1.008   0.617
  261   2HB   LEU   5          2HB       LEU   5 -14.129   0.203   0.488
  262    HG   LEU   5           HG       LEU   5 -15.940   0.194   2.906
  263   1HD1  LEU   5          1HD1      LEU   5 -16.677  -1.167   0.957
  264   2HD1  LEU   5          2HD1      LEU   5 -15.158  -2.057   1.069
  265   3HD1  LEU   5          3HD1      LEU   5 -16.314  -2.114   2.400
  266   1HD2  LEU   5          1HD2      LEU   5 -13.122  -0.586   2.506
  267   2HD2  LEU   5          2HD2      LEU   5 -13.972  -0.098   3.974
  268   3HD2  LEU   5          3HD2      LEU   5 -14.136  -1.744   3.365
  269    H    LYS   6           H        LYS   6 -15.097   3.773   0.176
  270    HA   LYS   6           HA       LYS   6 -13.263   3.708  -1.961
  271   1HB   LYS   6          1HB       LYS   6 -15.128   5.911  -1.053
  272   2HB   LYS   6          2HB       LYS   6 -14.247   5.925  -2.576
  273   1HG   LYS   6          1HG       LYS   6 -15.417   3.928  -3.303
  274   2HG   LYS   6          2HG       LYS   6 -16.253   3.833  -1.749
  275   1HD   LYS   6          1HD       LYS   6 -17.760   4.809  -3.312
  276   2HD   LYS   6          2HD       LYS   6 -17.210   6.097  -2.238
  277   1HE   LYS   6          1HE       LYS   6 -15.598   6.812  -3.930
  278   2HE   LYS   6          2HE       LYS   6 -16.143   5.520  -5.002
  279   1HZ   LYS   6          1HZ       LYS   6 -18.454   6.736  -4.458
  280   2HZ   LYS   6          2HZ       LYS   6 -17.398   8.060  -4.367
  281   3HZ   LYS   6          3HZ       LYS   6 -17.476   7.132  -5.784
  282    H    LYS   7           H        LYS   7 -13.440   5.682   0.958
  283    HA   LYS   7           HA       LYS   7 -11.195   7.306   0.309
  284   1HB   LYS   7          1HB       LYS   7 -12.823   6.822   2.758
  285   2HB   LYS   7          2HB       LYS   7 -11.226   7.528   2.965
  286   1HG   LYS   7          1HG       LYS   7 -12.925   9.256   2.820
  287   2HG   LYS   7          2HG       LYS   7 -11.822   9.342   1.446
  288   1HD   LYS   7          1HD       LYS   7 -13.514   8.023   0.134
  289   2HD   LYS   7          2HD       LYS   7 -14.623   8.234   1.491
  290   1HE   LYS   7          1HE       LYS   7 -13.330  10.466  -0.073
  291   2HE   LYS   7          2HE       LYS   7 -14.985   9.897  -0.281
  292   1HZ   LYS   7          1HZ       LYS   7 -14.994  10.404   2.321
  293   2HZ   LYS   7          2HZ       LYS   7 -13.830  11.541   1.829
  294   3HZ   LYS   7          3HZ       LYS   7 -15.387  11.574   1.156
  295    H    ARG   8           H        ARG   8 -11.658   4.235   1.893
  296    HA   ARG   8           HA       ARG   8  -9.072   3.908   2.979
  297   1HB   ARG   8          1HB       ARG   8 -10.968   2.451   3.580
  298   2HB   ARG   8          2HB       ARG   8 -11.009   1.821   1.939
  299   1HG   ARG   8          1HG       ARG   8  -9.919   0.187   3.196
  300   2HG   ARG   8          2HG       ARG   8  -8.632   1.031   2.340
  301   1HD   ARG   8          1HD       ARG   8  -8.215   2.380   4.367
  302   2HD   ARG   8          2HD       ARG   8  -9.448   1.447   5.208
  303    HE   ARG   8           HE       ARG   8  -6.751   0.694   4.788
  304   1HH1  ARG   8          1HH1      ARG   8  -9.985  -0.662   4.990
  305   2HH1  ARG   8          2HH1      ARG   8  -9.414  -2.263   5.366
  306   1HH2  ARG   8          1HH2      ARG   8  -6.023  -1.402   5.305
  307   2HH2  ARG   8          2HH2      ARG   8  -7.181  -2.676   5.554
  308    H    VAL   9           H        VAL   9 -10.523   3.152  -0.138
  309    HA   VAL   9           HA       VAL   9  -8.300   1.912  -1.342
  310    HB   VAL   9           HB       VAL   9 -10.575   3.461  -2.590
  311   1HG1  VAL   9          1HG1      VAL   9  -8.203   2.234  -3.773
  312   2HG1  VAL   9          2HG1      VAL   9  -9.721   1.703  -4.497
  313   3HG1  VAL   9          3HG1      VAL   9  -9.322   3.420  -4.442
  314   1HG2  VAL   9          1HG2      VAL   9 -11.149   1.414  -1.268
  315   2HG2  VAL   9          2HG2      VAL   9 -11.622   1.354  -2.966
  316   3HG2  VAL   9          3HG2      VAL   9 -10.193   0.476  -2.418
  317    H    GLN  10           H        GLN  10  -9.464   5.275  -1.455
  318    HA   GLN  10           HA       GLN  10  -7.432   6.317  -3.085
  319   1HB   GLN  10          1HB       GLN  10  -9.083   7.643  -0.932
  320   2HB   GLN  10          2HB       GLN  10  -8.041   8.515  -2.044
  321   1HG   GLN  10          1HG       GLN  10 -10.376   6.799  -2.851
  322   2HG   GLN  10          2HG       GLN  10 -10.406   8.554  -2.699
  323   1HE2  GLN  10          1HE2      GLN  10  -9.056   9.153  -5.820
  324   2HE2  GLN  10          2HE2      GLN  10  -9.732   9.766  -4.346
  325    H    ALA  11           H        ALA  11  -7.628   5.939   0.426
  326    HA   ALA  11           HA       ALA  11  -5.225   7.291   1.058
  327   1HB   ALA  11          1HB       ALA  11  -7.270   5.949   2.462
  328   2HB   ALA  11          2HB       ALA  11  -5.748   5.187   2.927
  329   3HB   ALA  11          3HB       ALA  11  -5.960   6.926   3.125
  330    H    LEU  12           H        LEU  12  -6.008   3.933   0.319
  331    HA   LEU  12           HA       LEU  12  -3.435   2.884   0.828
  332   1HB   LEU  12          1HB       LEU  12  -5.754   1.906  -0.799
  333   2HB   LEU  12          2HB       LEU  12  -4.236   1.040  -0.772
  334    HG   LEU  12           HG       LEU  12  -5.734   1.700   1.750
  335   1HD1  LEU  12          1HD1      LEU  12  -7.109   0.342   0.119
  336   2HD1  LEU  12          2HD1      LEU  12  -5.883  -0.918   0.275
  337   3HD1  LEU  12          3HD1      LEU  12  -6.804  -0.403   1.688
  338   1HD2  LEU  12          1HD2      LEU  12  -3.195   0.851   1.399
  339   2HD2  LEU  12          2HD2      LEU  12  -4.183   0.453   2.805
  340   3HD2  LEU  12          3HD2      LEU  12  -4.044  -0.693   1.470
  341    H    LYS  13           H        LYS  13  -5.033   3.816  -2.233
  342    HA   LYS  13           HA       LYS  13  -2.859   3.281  -3.902
  343   1HB   LYS  13          1HB       LYS  13  -5.307   4.916  -4.110
  344   2HB   LYS  13          2HB       LYS  13  -4.000   5.366  -5.198
  345   1HG   LYS  13          1HG       LYS  13  -5.489   3.810  -6.284
  346   2HG   LYS  13          2HG       LYS  13  -3.913   3.059  -6.032
  347   1HD   LYS  13          1HD       LYS  13  -4.851   1.996  -3.966
  348   2HD   LYS  13          2HD       LYS  13  -6.429   2.617  -4.436
  349   1HE   LYS  13          1HE       LYS  13  -4.726   0.587  -5.858
  350   2HE   LYS  13          2HE       LYS  13  -6.349   0.378  -5.200
  351   1HZ   LYS  13          1HZ       LYS  13  -6.805   2.320  -6.945
  352   2HZ   LYS  13          2HZ       LYS  13  -5.495   1.565  -7.718
  353   3HZ   LYS  13          3HZ       LYS  13  -6.896   0.679  -7.358
  354    H    ALA  14           H        ALA  14  -3.639   6.212  -2.074
  355    HA   ALA  14           HA       ALA  14  -1.576   7.833  -3.123
  356   1HB   ALA  14          1HB       ALA  14  -2.907   7.938  -0.416
  357   2HB   ALA  14          2HB       ALA  14  -1.890   9.204  -1.102
  358   3HB   ALA  14          3HB       ALA  14  -3.422   8.790  -1.872
  359    H    ARG  15           H        ARG  15  -1.714   5.608  -0.403
  360    HA   ARG  15           HA       ARG  15   0.942   6.114   0.537
  361   1HB   ARG  15          1HB       ARG  15  -0.883   5.190   1.942
  362   2HB   ARG  15          2HB       ARG  15  -0.821   3.710   0.994
  363   1HG   ARG  15          1HG       ARG  15   1.062   2.984   1.999
  364   2HG   ARG  15          2HG       ARG  15   1.722   4.611   2.188
  365   1HD   ARG  15          1HD       ARG  15   0.427   5.050   4.057
  366   2HD   ARG  15          2HD       ARG  15  -0.668   3.708   3.742
  367    HE   ARG  15           HE       ARG  15   1.977   2.761   4.192
  368   1HH1  ARG  15          1HH1      ARG  15  -0.768   4.113   5.918
  369   2HH1  ARG  15          2HH1      ARG  15  -0.438   3.220   7.375
  370   1HH2  ARG  15          1HH2      ARG  15   2.410   1.607   6.104
  371   2HH2  ARG  15          2HH2      ARG  15   1.373   1.817   7.487
  372    H    ASN  16           H        ASN  16  -0.596   3.732  -1.550
  373    HA   ASN  16           HA       ASN  16   1.594   2.034  -2.002
  374   1HB   ASN  16          1HB       ASN  16  -0.980   2.638  -3.406
  375   2HB   ASN  16          2HB       ASN  16   0.224   1.680  -4.247
  376   1HD2  ASN  16          1HD2      ASN  16  -0.959  -1.193  -2.743
  377   2HD2  ASN  16          2HD2      ASN  16  -0.422  -0.376  -4.168
  378    H    TYR  17           H        TYR  17   0.453   4.953  -3.592
  379    HA   TYR  17           HA       TYR  17   2.163   5.021  -5.799
  380   1HB   TYR  17          1HB       TYR  17   0.162   6.512  -5.258
  381   2HB   TYR  17          2HB       TYR  17   1.237   7.418  -4.204
  382    HD1  TYR  17           HD1      TYR  17   3.114   6.315  -6.983
  383    HD2  TYR  17           HD2      TYR  17   0.205   9.202  -5.839
  384    HE1  TYR  17           HE1      TYR  17   3.760   7.724  -8.894
  385    HE2  TYR  17           HE2      TYR  17   0.841  10.609  -7.746
  386    HH   TYR  17           HH       TYR  17   2.737   9.489 -10.306
  387    H    ALA  18           H        ALA  18   2.525   6.555  -2.602
  388    HA   ALA  18           HA       ALA  18   5.146   7.506  -3.030
  389   1HB   ALA  18          1HB       ALA  18   3.529   6.992  -0.555
  390   2HB   ALA  18          2HB       ALA  18   5.185   7.598  -0.482
  391   3HB   ALA  18          3HB       ALA  18   3.940   8.534  -1.306
  392    H    ALA  19           H        ALA  19   3.891   4.519  -1.605
  393    HA   ALA  19           HA       ALA  19   6.329   3.495  -0.665
  394   1HB   ALA  19          1HB       ALA  19   3.636   2.469  -1.140
  395   2HB   ALA  19          2HB       ALA  19   4.900   1.252  -1.318
  396   3HB   ALA  19          3HB       ALA  19   4.750   2.154   0.190
  397    H    LYS  20           H        LYS  20   4.754   3.245  -3.817
  398    HA   LYS  20           HA       LYS  20   6.557   1.403  -4.953
  399   1HB   LYS  20          1HB       LYS  20   4.730   3.472  -6.154
  400   2HB   LYS  20          2HB       LYS  20   5.749   2.445  -7.153
  401   1HG   LYS  20          1HG       LYS  20   4.670   0.466  -6.281
  402   2HG   LYS  20          2HG       LYS  20   3.702   1.452  -5.184
  403   1HD   LYS  20          1HD       LYS  20   2.631   2.536  -7.087
  404   2HD   LYS  20          2HD       LYS  20   3.606   1.573  -8.200
  405   1HE   LYS  20          1HE       LYS  20   2.596  -0.473  -7.309
  406   2HE   LYS  20          2HE       LYS  20   1.636   0.494  -6.191
  407   1HZ   LYS  20          1HZ       LYS  20   0.679   1.616  -8.185
  408   2HZ   LYS  20          2HZ       LYS  20   1.436   0.442  -9.145
  409   3HZ   LYS  20          3HZ       LYS  20   0.257  -0.018  -8.018
  410    H    GLN  21           H        GLN  21   6.597   4.915  -4.677
  411    HA   GLN  21           HA       GLN  21   8.927   5.245  -6.312
  412   1HB   GLN  21          1HB       GLN  21   7.986   7.147  -4.162
  413   2HB   GLN  21          2HB       GLN  21   8.955   7.526  -5.573
  414   1HG   GLN  21          1HG       GLN  21   6.033   6.912  -5.429
  415   2HG   GLN  21          2HG       GLN  21   6.823   8.374  -6.018
  416   1HE2  GLN  21          1HE2      GLN  21   5.755   5.605  -8.580
  417   2HE2  GLN  21          2HE2      GLN  21   5.155   5.804  -6.967
  418    H    LYS  22           H        LYS  22   8.220   4.889  -2.902
  419    HA   LYS  22           HA       LYS  22  10.751   5.341  -1.817
  420   1HB   LYS  22          1HB       LYS  22   8.228   4.353  -0.950
  421   2HB   LYS  22          2HB       LYS  22   9.454   3.218  -0.408
  422   1HG   LYS  22          1HG       LYS  22   9.604   6.176   0.092
  423   2HG   LYS  22          2HG       LYS  22   8.857   5.034   1.208
  424   1HD   LYS  22          1HD       LYS  22  11.005   3.800   1.305
  425   2HD   LYS  22          2HD       LYS  22  11.727   5.049   0.292
  426   1HE   LYS  22          1HE       LYS  22  12.235   5.449   2.634
  427   2HE   LYS  22          2HE       LYS  22  11.206   6.726   1.991
  428   1HZ   LYS  22          1HZ       LYS  22   9.332   5.165   2.947
  429   2HZ   LYS  22          2HZ       LYS  22  10.588   4.666   3.974
  430   3HZ   LYS  22          3HZ       LYS  22  10.129   6.297   3.927
  431    H    VAL  23           H        VAL  23   9.256   2.286  -2.875
  432    HA   VAL  23           HA       VAL  23  11.371   0.569  -2.324
  433    HB   VAL  23           HB       VAL  23   9.384   0.434  -4.601
  434   1HG1  VAL  23          1HG1      VAL  23  11.629  -1.291  -3.866
  435   2HG1  VAL  23          2HG1      VAL  23  10.095  -2.139  -4.075
  436   3HG1  VAL  23          3HG1      VAL  23  10.747  -1.156  -5.387
  437   1HG2  VAL  23          1HG2      VAL  23   9.396  -0.881  -1.888
  438   2HG2  VAL  23          2HG2      VAL  23   8.322   0.418  -2.413
  439   3HG2  VAL  23          3HG2      VAL  23   8.212  -1.177  -3.160
  440    H    GLN  24           H        GLN  24  10.663   2.300  -5.358
  441    HA   GLN  24           HA       GLN  24  12.994   1.390  -6.676
  442   1HB   GLN  24          1HB       GLN  24  11.130   3.696  -7.231
  443   2HB   GLN  24          2HB       GLN  24  12.484   3.288  -8.275
  444   1HG   GLN  24          1HG       GLN  24  10.146   1.508  -7.624
  445   2HG   GLN  24          2HG       GLN  24  10.422   2.364  -9.142
  446   1HE2  GLN  24          1HE2      GLN  24  11.757  -1.284  -8.818
  447   2HE2  GLN  24          2HE2      GLN  24  10.428  -0.562  -7.962
  448    H    ALA  25           H        ALA  25  12.335   4.177  -4.648
  449    HA   ALA  25           HA       ALA  25  14.696   5.617  -5.333
  450   1HB   ALA  25          1HB       ALA  25  12.560   5.847  -3.327
  451   2HB   ALA  25          2HB       ALA  25  14.129   6.441  -2.786
  452   3HB   ALA  25          3HB       ALA  25  13.391   7.102  -4.245
  453    H    LEU  26           H        LEU  26  13.848   3.352  -2.765
  454    HA   LEU  26           HA       LEU  26  16.366   3.407  -1.464
  455   1HB   LEU  26          1HB       LEU  26  14.318   1.190  -1.559
  456   2HB   LEU  26          2HB       LEU  26  15.622   1.329  -0.398
  457    HG   LEU  26           HG       LEU  26  13.306   3.246  -0.653
  458   1HD1  LEU  26          1HD1      LEU  26  13.892   1.046   1.310
  459   2HD1  LEU  26          2HD1      LEU  26  12.660   2.286   1.545
  460   3HD1  LEU  26          3HD1      LEU  26  12.528   1.154   0.198
  461   1HD2  LEU  26          1HD2      LEU  26  15.849   3.569   0.525
  462   2HD2  LEU  26          2HD2      LEU  26  14.450   4.638   0.630
  463   3HD2  LEU  26          3HD2      LEU  26  14.683   3.371   1.832
  464    H    ARG  27           H        ARG  27  14.975   1.479  -4.049
  465    HA   ARG  27           HA       ARG  27  17.033  -0.417  -4.328
  466   1HB   ARG  27          1HB       ARG  27  14.625   0.268  -5.673
  467   2HB   ARG  27          2HB       ARG  27  15.897   0.266  -6.884
  468   1HG   ARG  27          1HG       ARG  27  14.996  -1.898  -6.904
  469   2HG   ARG  27          2HG       ARG  27  16.518  -2.031  -6.023
  470   1HD   ARG  27          1HD       ARG  27  15.282  -1.901  -3.909
  471   2HD   ARG  27          2HD       ARG  27  13.770  -1.819  -4.804
  472    HE   ARG  27           HE       ARG  27  13.824  -4.084  -4.909
  473   1HH1  ARG  27          1HH1      ARG  27  17.143  -2.986  -4.663
  474   2HH1  ARG  27          2HH1      ARG  27  17.811  -4.586  -4.657
  475   1HH2  ARG  27          1HH2      ARG  27  14.696  -6.192  -4.884
  476   2HH2  ARG  27          2HH2      ARG  27  16.419  -6.407  -4.752
  477    H    HIS  28           H        HIS  28  16.442   2.684  -5.890
  478    HA   HIS  28           HA       HIS  28  18.715   2.664  -7.572
  479   1HB   HIS  28          1HB       HIS  28  16.609   4.016  -7.860
  480   2HB   HIS  28          2HB       HIS  28  17.166   5.050  -6.557
  481    HD1  HIS  28           HD1      HIS  28  18.456   3.913  -9.977
  482    HD2  HIS  28           HD2      HIS  28  18.517   7.174  -7.397
  483    HE1  HIS  28           HE1      HIS  28  19.662   5.766 -11.204
  484    H    LYS  29           H        LYS  29  18.059   4.285  -4.480
  485    HA   LYS  29           HA       LYS  29  20.590   5.561  -4.337
  486   1HB   LYS  29          1HB       LYS  29  18.389   6.209  -3.180
  487   2HB   LYS  29          2HB       LYS  29  18.815   5.002  -1.977
  488   1HG   LYS  29          1HG       LYS  29  20.865   6.196  -1.465
  489   2HG   LYS  29          2HG       LYS  29  20.502   7.387  -2.714
  490   1HD   LYS  29          1HD       LYS  29  18.809   6.846  -0.272
  491   2HD   LYS  29          2HD       LYS  29  19.939   8.190  -0.451
  492   1HE   LYS  29          1HE       LYS  29  18.649   9.040  -2.335
  493   2HE   LYS  29          2HE       LYS  29  17.537   7.678  -2.205
  494   1HZ   LYS  29          1HZ       LYS  29  16.968   8.462   0.051
  495   2HZ   LYS  29          2HZ       LYS  29  17.961   9.817  -0.180
  496   3HZ   LYS  29          3HZ       LYS  29  16.587   9.597  -1.147
  497    H    CYS  30           H        CYS  30  19.347   2.546  -2.955
  498    HA   CYS  30           HA       CYS  30  22.111   1.937  -2.146
  499   1HB   CYS  30          1HB       CYS  30  20.954   2.544  -0.134
  500   2HB   CYS  30          2HB       CYS  30  19.581   1.527  -0.550
  501    H    GLY  31           H        GLY  31  19.027   0.168  -2.008
  502   1HA   GLY  31          1HA       GLY  31  18.610  -1.464  -3.847
  503   2HA   GLY  31          2HA       GLY  31  20.297  -1.930  -3.655
  504   1HN   NH2  32          1HN       NH2  32  19.674  -4.079  -3.209
  505   2HN   NH2  32          2HN       NH2  32  19.005  -4.520  -1.670
  Start of MODEL   12
    1   1H    ACE   0          1H        ACE   0 -18.494   2.423  -5.515
    2   2H    ACE   0          2H        ACE   0 -19.267   1.473  -6.787
    3   3H    ACE   0          3H        ACE   0 -17.672   1.013  -6.190
    4    H    GLU   1           H        GLU   1 -19.378  -0.977  -6.155
    5    HA   GLU   1           HA       GLU   1 -21.127  -1.208  -3.963
    6   1HB   GLU   1          1HB       GLU   1 -21.187  -2.710  -5.909
    7   2HB   GLU   1          2HB       GLU   1 -19.624  -3.370  -5.447
    8   1HG   GLU   1          1HG       GLU   1 -20.657  -4.121  -3.308
    9   2HG   GLU   1          2HG       GLU   1 -22.218  -3.623  -3.953
   10    H    VAL   2           H        VAL   2 -20.897  -2.316  -1.985
   11    HA   VAL   2           HA       VAL   2 -18.630  -1.761  -0.475
   12    HB   VAL   2           HB       VAL   2 -20.611  -3.985   0.034
   13   1HG1  VAL   2          1HG1      VAL   2 -18.587  -2.598   1.745
   14   2HG1  VAL   2          2HG1      VAL   2 -20.013  -3.351   2.453
   15   3HG1  VAL   2          3HG1      VAL   2 -18.867  -4.322   1.529
   16   1HG2  VAL   2          1HG2      VAL   2 -21.598  -1.682  -0.350
   17   2HG2  VAL   2          2HG2      VAL   2 -21.983  -2.453   1.191
   18   3HG2  VAL   2          3HG2      VAL   2 -20.759  -1.184   1.119
   19    H    ALA   3           H        ALA   3 -19.633  -4.851  -1.929
   20    HA   ALA   3           HA       ALA   3 -17.460  -6.396  -1.113
   21   1HB   ALA   3          1HB       ALA   3 -19.612  -7.182  -2.168
   22   2HB   ALA   3          2HB       ALA   3 -18.905  -6.757  -3.724
   23   3HB   ALA   3          3HB       ALA   3 -18.146  -7.989  -2.718
   24    H    GLN   4           H        GLN   4 -17.861  -4.331  -3.946
   25    HA   GLN   4           HA       GLN   4 -15.487  -5.052  -5.284
   26   1HB   GLN   4          1HB       GLN   4 -16.906  -2.388  -5.285
   27   2HB   GLN   4          2HB       GLN   4 -15.734  -2.926  -6.478
   28   1HG   GLN   4          1HG       GLN   4 -18.521  -3.917  -6.024
   29   2HG   GLN   4          2HG       GLN   4 -17.824  -3.215  -7.483
   30   1HE2  GLN   4          1HE2      GLN   4 -17.990  -7.109  -7.165
   31   2HE2  GLN   4          2HE2      GLN   4 -18.992  -5.938  -6.361
   32    H    LEU   5           H        LEU   5 -16.252  -2.434  -3.060
   33    HA   LEU   5           HA       LEU   5 -13.711  -1.272  -2.953
   34   1HB   LEU   5          1HB       LEU   5 -15.998  -1.311  -1.004
   35   2HB   LEU   5          2HB       LEU   5 -14.577  -0.300  -0.802
   36    HG   LEU   5           HG       LEU   5 -16.461  -0.158  -3.158
   37   1HD1  LEU   5          1HD1      LEU   5 -16.817   0.760  -0.507
   38   2HD1  LEU   5          2HD1      LEU   5 -16.509   2.167  -1.526
   39   3HD1  LEU   5          3HD1      LEU   5 -17.828   1.065  -1.920
   40   1HD2  LEU   5          1HD2      LEU   5 -13.846   0.881  -2.709
   41   2HD2  LEU   5          2HD2      LEU   5 -14.909   1.127  -4.097
   42   3HD2  LEU   5          3HD2      LEU   5 -14.988   2.223  -2.719
   43    H    GLU   6           H        GLU   6 -15.223  -3.849  -1.056
   44    HA   GLU   6           HA       GLU   6 -13.206  -4.135   0.891
   45   1HB   GLU   6          1HB       GLU   6 -15.287  -5.990  -0.235
   46   2HB   GLU   6          2HB       GLU   6 -14.107  -6.575   0.930
   47   1HG   GLU   6          1HG       GLU   6 -15.858  -4.189   1.448
   48   2HG   GLU   6          2HG       GLU   6 -16.340  -5.840   1.849
   49    H    LYS   7           H        LYS   7 -13.598  -5.526  -2.331
   50    HA   LYS   7           HA       LYS   7 -11.342  -7.247  -2.196
   51   1HB   LYS   7          1HB       LYS   7 -12.848  -6.048  -4.525
   52   2HB   LYS   7          2HB       LYS   7 -11.516  -7.182  -4.721
   53   1HG   LYS   7          1HG       LYS   7 -12.729  -8.916  -3.648
   54   2HG   LYS   7          2HG       LYS   7 -13.994  -7.798  -3.133
   55   1HD   LYS   7          1HD       LYS   7 -14.769  -7.514  -5.350
   56   2HD   LYS   7          2HD       LYS   7 -13.332  -8.292  -6.023
   57   1HE   LYS   7          1HE       LYS   7 -15.328  -9.702  -4.256
   58   2HE   LYS   7          2HE       LYS   7 -15.407  -9.709  -6.017
   59   1HZ   LYS   7          1HZ       LYS   7 -13.000 -10.560  -5.855
   60   2HZ   LYS   7          2HZ       LYS   7 -13.391 -10.957  -4.254
   61   3HZ   LYS   7          3HZ       LYS   7 -14.262 -11.646  -5.538
   62    H    GLU   8           H        GLU   8 -11.862  -3.950  -3.285
   63    HA   GLU   8           HA       GLU   8  -9.266  -3.491  -4.316
   64   1HB   GLU   8          1HB       GLU   8 -11.258  -2.165  -4.906
   65   2HB   GLU   8          2HB       GLU   8 -11.343  -1.556  -3.263
   66   1HG   GLU   8          1HG       GLU   8 -10.400   0.130  -4.608
   67   2HG   GLU   8          2HG       GLU   8  -9.104  -0.525  -3.606
   68    H    VAL   9           H        VAL   9 -10.762  -2.883  -1.148
   69    HA   VAL   9           HA       VAL   9  -8.553  -1.551  -0.001
   70    HB   VAL   9           HB       VAL   9 -10.788  -3.132   1.306
   71   1HG1  VAL   9          1HG1      VAL   9  -8.408  -1.798   2.465
   72   2HG1  VAL   9          2HG1      VAL   9  -9.947  -1.526   3.278
   73   3HG1  VAL   9          3HG1      VAL   9  -9.345  -3.169   3.066
   74   1HG2  VAL   9          1HG2      VAL   9 -11.510  -1.115   0.138
   75   2HG2  VAL   9          2HG2      VAL   9 -11.668  -0.917   1.882
   76   3HG2  VAL   9          3HG2      VAL   9 -10.325  -0.161   1.027
   77    H    ALA  10           H        ALA  10  -9.510  -4.946  -0.157
   78    HA   ALA  10           HA       ALA  10  -7.377  -5.933   1.438
   79   1HB   ALA  10          1HB       ALA  10  -9.476  -7.180   0.980
   80   2HB   ALA  10          2HB       ALA  10  -8.928  -7.417  -0.680
   81   3HB   ALA  10          3HB       ALA  10  -8.016  -8.115   0.658
   82    H    GLN  11           H        GLN  11  -7.696  -5.024  -1.884
   83    HA   GLN  11           HA       GLN  11  -5.424  -6.398  -2.901
   84   1HB   GLN  11          1HB       GLN  11  -7.355  -5.404  -4.250
   85   2HB   GLN  11          2HB       GLN  11  -6.632  -3.835  -3.948
   86   1HG   GLN  11          1HG       GLN  11  -6.045  -4.721  -6.148
   87   2HG   GLN  11          2HG       GLN  11  -4.632  -4.457  -5.127
   88   1HE2  GLN  11          1HE2      GLN  11  -3.507  -7.685  -5.556
   89   2HE2  GLN  11          2HE2      GLN  11  -3.189  -6.012  -5.239
   90    H    ALA  12           H        ALA  12  -6.068  -3.069  -1.916
   91    HA   ALA  12           HA       ALA  12  -3.432  -2.132  -2.224
   92   1HB   ALA  12          1HB       ALA  12  -5.952  -1.083  -1.358
   93   2HB   ALA  12          2HB       ALA  12  -4.657  -0.534  -0.293
   94   3HB   ALA  12          3HB       ALA  12  -4.556  -0.239  -2.030
   95    H    GLU  13           H        GLU  13  -5.197  -3.350   0.600
   96    HA   GLU  13           HA       GLU  13  -3.221  -2.826   2.511
   97   1HB   GLU  13          1HB       GLU  13  -5.483  -4.777   2.341
   98   2HB   GLU  13          2HB       GLU  13  -4.348  -4.868   3.681
   99   1HG   GLU  13          1HG       GLU  13  -5.767  -2.325   2.962
  100   2HG   GLU  13          2HG       GLU  13  -6.485  -3.532   4.028
  101    H    ALA  14           H        ALA  14  -3.678  -5.619   0.373
  102    HA   ALA  14           HA       ALA  14  -1.614  -7.198   1.516
  103   1HB   ALA  14          1HB       ALA  14  -3.422  -8.043  -0.027
  104   2HB   ALA  14          2HB       ALA  14  -2.513  -7.324  -1.357
  105   3HB   ALA  14          3HB       ALA  14  -1.791  -8.607  -0.387
  106    H    GLU  15           H        GLU  15  -1.697  -4.975  -1.262
  107    HA   GLU  15           HA       GLU  15   1.017  -5.299  -1.968
  108   1HB   GLU  15          1HB       GLU  15  -1.103  -3.309  -2.574
  109   2HB   GLU  15          2HB       GLU  15   0.560  -2.807  -2.836
  110   1HG   GLU  15          1HG       GLU  15   0.895  -4.740  -4.307
  111   2HG   GLU  15          2HG       GLU  15  -0.789  -5.196  -4.069
  112    H    ASN  16           H        ASN  16  -0.650  -2.953   0.091
  113    HA   ASN  16           HA       ASN  16   1.519  -1.346   0.766
  114   1HB   ASN  16          1HB       ASN  16  -1.023  -1.129   1.324
  115   2HB   ASN  16          2HB       ASN  16  -0.628  -2.079   2.748
  116   1HD2  ASN  16          1HD2      ASN  16  -0.227   1.817   2.874
  117   2HD2  ASN  16          2HD2      ASN  16  -1.176   0.923   1.730
  118    H    TYR  17           H        TYR  17   0.394  -4.359   2.146
  119    HA   TYR  17           HA       TYR  17   2.095  -4.545   4.353
  120   1HB   TYR  17          1HB       TYR  17   0.369  -6.141   4.281
  121   2HB   TYR  17          2HB       TYR  17   0.725  -6.583   2.617
  122    HD1  TYR  17           HD1      TYR  17   2.436  -6.603   5.942
  123    HD2  TYR  17           HD2      TYR  17   1.769  -8.599   2.247
  124    HE1  TYR  17           HE1      TYR  17   3.849  -8.466   6.708
  125    HE2  TYR  17           HE2      TYR  17   3.171 -10.474   3.002
  126    HH   TYR  17           HH       TYR  17   3.994 -11.467   5.080
  127    H    GLN  18           H        GLN  18   2.532  -5.710   1.024
  128    HA   GLN  18           HA       GLN  18   5.139  -6.744   1.598
  129   1HB   GLN  18          1HB       GLN  18   5.213  -6.892  -1.006
  130   2HB   GLN  18          2HB       GLN  18   4.174  -7.962  -0.080
  131   1HG   GLN  18          1HG       GLN  18   2.256  -6.641  -0.589
  132   2HG   GLN  18          2HG       GLN  18   3.249  -5.421  -1.377
  133   1HE2  GLN  18          1HE2      GLN  18   1.771  -8.405  -3.486
  134   2HE2  GLN  18          2HE2      GLN  18   1.228  -7.894  -1.925
  135    H    LEU  19           H        LEU  19   3.927  -3.668   0.568
  136    HA   LEU  19           HA       LEU  19   6.379  -2.706  -0.546
  137   1HB   LEU  19          1HB       LEU  19   4.207  -1.073   0.773
  138   2HB   LEU  19          2HB       LEU  19   5.437  -0.490  -0.329
  139    HG   LEU  19           HG       LEU  19   3.091  -2.256  -0.989
  140   1HD1  LEU  19          1HD1      LEU  19   3.365   0.495  -0.858
  141   2HD1  LEU  19          2HD1      LEU  19   3.501   0.115  -2.572
  142   3HD1  LEU  19          3HD1      LEU  19   2.083  -0.408  -1.663
  143   1HD2  LEU  19          1HD2      LEU  19   5.637  -1.907  -2.378
  144   2HD2  LEU  19          2HD2      LEU  19   4.393  -3.144  -2.570
  145   3HD2  LEU  19          3HD2      LEU  19   4.220  -1.585  -3.375
  146    H    GLU  20           H        GLU  20   4.813  -2.462   2.628
  147    HA   GLU  20           HA       GLU  20   6.913  -1.055   3.898
  148   1HB   GLU  20          1HB       GLU  20   4.674  -2.790   4.938
  149   2HB   GLU  20          2HB       GLU  20   5.846  -2.043   6.017
  150   1HG   GLU  20          1HG       GLU  20   4.185  -0.490   4.057
  151   2HG   GLU  20          2HG       GLU  20   3.687  -0.807   5.719
  152    H    GLN  21           H        GLN  21   6.293  -4.445   3.292
  153    HA   GLN  21           HA       GLN  21   8.218  -5.548   5.031
  154   1HB   GLN  21          1HB       GLN  21   6.340  -6.757   3.821
  155   2HB   GLN  21          2HB       GLN  21   7.336  -6.690   2.377
  156   1HG   GLN  21          1HG       GLN  21   7.536  -8.843   3.435
  157   2HG   GLN  21          2HG       GLN  21   9.070  -7.975   3.527
  158   1HE2  GLN  21          1HE2      GLN  21   7.216  -9.225   6.843
  159   2HE2  GLN  21          2HE2      GLN  21   6.662  -9.587   5.250
  160    H    GLU  22           H        GLU  22   8.327  -4.613   1.618
  161    HA   GLU  22           HA       GLU  22  11.051  -5.296   1.199
  162   1HB   GLU  22          1HB       GLU  22   9.391  -5.069  -0.621
  163   2HB   GLU  22          2HB       GLU  22   9.275  -3.347  -0.291
  164   1HG   GLU  22          1HG       GLU  22  10.671  -3.508  -2.138
  165   2HG   GLU  22          2HG       GLU  22  11.765  -3.248  -0.784
  166    H    VAL  23           H        VAL  23   9.360  -2.254   1.912
  167    HA   VAL  23           HA       VAL  23  11.566  -0.544   1.852
  168    HB   VAL  23           HB       VAL  23   8.971  -0.388   3.381
  169   1HG1  VAL  23          1HG1      VAL  23  11.279   1.538   3.413
  170   2HG1  VAL  23          2HG1      VAL  23   9.624   2.051   3.736
  171   3HG1  VAL  23          3HG1      VAL  23  10.398   0.856   4.779
  172   1HG2  VAL  23          1HG2      VAL  23   9.757   0.229   0.731
  173   2HG2  VAL  23          2HG2      VAL  23   8.195   0.505   1.501
  174   3HG2  VAL  23          3HG2      VAL  23   9.439   1.753   1.557
  175    H    ALA  24           H        ALA  24  10.243  -2.485   4.527
  176    HA   ALA  24           HA       ALA  24  11.921  -1.535   6.555
  177   1HB   ALA  24          1HB       ALA  24   9.939  -3.414   6.436
  178   2HB   ALA  24          2HB       ALA  24  11.371  -4.403   6.723
  179   3HB   ALA  24          3HB       ALA  24  10.961  -3.100   7.838
  180    H    GLN  25           H        GLN  25  12.352  -4.219   4.293
  181    HA   GLN  25           HA       GLN  25  14.822  -5.151   5.248
  182   1HB   GLN  25          1HB       GLN  25  13.397  -6.405   3.685
  183   2HB   GLN  25          2HB       GLN  25  13.694  -5.204   2.437
  184   1HG   GLN  25          1HG       GLN  25  16.084  -5.788   2.490
  185   2HG   GLN  25          2HG       GLN  25  15.730  -7.041   3.678
  186   1HE2  GLN  25          1HE2      GLN  25  15.519  -7.926  -0.152
  187   2HE2  GLN  25          2HE2      GLN  25  16.373  -6.597   0.545
  188    H    LEU  26           H        LEU  26  14.074  -2.819   2.674
  189    HA   LEU  26           HA       LEU  26  16.774  -2.281   2.040
  190   1HB   LEU  26          1HB       LEU  26  14.312  -0.606   1.571
  191   2HB   LEU  26          2HB       LEU  26  15.879  -0.319   0.839
  192    HG   LEU  26           HG       LEU  26  14.187  -2.789   0.413
  193   1HD1  LEU  26          1HD1      LEU  26  14.540  -0.272  -1.161
  194   2HD1  LEU  26          2HD1      LEU  26  14.194  -1.794  -1.979
  195   3HD1  LEU  26          3HD1      LEU  26  13.065  -1.159  -0.785
  196   1HD2  LEU  26          1HD2      LEU  26  16.849  -1.934  -0.686
  197   2HD2  LEU  26          2HD2      LEU  26  16.441  -3.430   0.157
  198   3HD2  LEU  26          3HD2      LEU  26  15.833  -3.140  -1.472
  199    H    GLU  27           H        GLU  27  14.460  -0.488   4.113
  200    HA   GLU  27           HA       GLU  27  16.209   1.604   4.817
  201   1HB   GLU  27          1HB       GLU  27  13.888   0.378   6.318
  202   2HB   GLU  27          2HB       GLU  27  14.720   1.831   6.845
  203   1HG   GLU  27          1HG       GLU  27  13.618   1.729   4.085
  204   2HG   GLU  27          2HG       GLU  27  12.516   1.952   5.442
  205    H    HIS  28           H        HIS  28  15.599  -1.533   6.310
  206    HA   HIS  28           HA       HIS  28  17.233  -1.221   8.576
  207   1HB   HIS  28          1HB       HIS  28  15.554  -2.981   8.416
  208   2HB   HIS  28          2HB       HIS  28  16.405  -3.708   7.063
  209    HD1  HIS  28           HD1      HIS  28  17.431  -2.808  10.654
  210    HD2  HIS  28           HD2      HIS  28  17.642  -5.887   7.867
  211    HE1  HIS  28           HE1      HIS  28  18.749  -4.674  11.746
  212    H    GLU  29           H        GLU  29  17.906  -2.341   5.300
  213    HA   GLU  29           HA       GLU  29  20.620  -3.049   5.890
  214   1HB   GLU  29          1HB       GLU  29  19.135  -2.732   3.286
  215   2HB   GLU  29          2HB       GLU  29  20.829  -3.201   3.378
  216   1HG   GLU  29          1HG       GLU  29  18.533  -4.708   4.624
  217   2HG   GLU  29          2HG       GLU  29  19.322  -5.115   3.098
  218    H    CYS  30           H        CYS  30  18.947  -0.219   4.741
  219    HA   CYS  30           HA       CYS  30  21.239   1.194   3.823
  220   1HB   CYS  30          1HB       CYS  30  18.489   2.078   4.689
  221   2HB   CYS  30          2HB       CYS  30  19.730   3.246   4.263
  222    H    GLY  31           H        GLY  31  19.436   1.248   6.891
  223   1HA   GLY  31          1HA       GLY  31  21.162   1.229   8.815
  224   2HA   GLY  31          2HA       GLY  31  21.661   2.756   8.095
  225   1HN   NH2  32          1HN       NH2  32  19.067   1.076   9.716
  226   2HN   NH2  32          2HN       NH2  32  18.210   2.489  10.238
  227   1H    ACE   0          1H        ACE   0 -18.395  -2.249   6.692
  228   2H    ACE   0          2H        ACE   0 -17.111  -1.073   6.407
  229   3H    ACE   0          3H        ACE   0 -17.301  -2.452   5.322
  230    H    GLU   1           H        GLU   1 -18.412   0.717   6.157
  231    HA   GLU   1           HA       GLU   1 -20.694   0.743   4.432
  232   1HB   GLU   1          1HB       GLU   1 -19.910   2.284   6.509
  233   2HB   GLU   1          2HB       GLU   1 -19.392   3.294   5.169
  234   1HG   GLU   1          1HG       GLU   1 -22.183   2.213   5.445
  235   2HG   GLU   1          2HG       GLU   1 -21.676   3.779   6.072
  236    H    VAL   2           H        VAL   2 -20.901   1.794   2.428
  237    HA   VAL   2           HA       VAL   2 -18.869   1.418   0.577
  238    HB   VAL   2           HB       VAL   2 -21.296   3.213   0.459
  239   1HG1  VAL   2          1HG1      VAL   2 -19.067   2.904  -1.480
  240   2HG1  VAL   2          2HG1      VAL   2 -20.710   2.966  -2.121
  241   3HG1  VAL   2          3HG1      VAL   2 -20.091   4.299  -1.146
  242   1HG2  VAL   2          1HG2      VAL   2 -21.082   0.491   0.316
  243   2HG2  VAL   2          2HG2      VAL   2 -22.395   1.445  -0.372
  244   3HG2  VAL   2          3HG2      VAL   2 -21.036   0.956  -1.385
  245    H    GLN   3           H        GLN   3 -19.949   4.514   2.021
  246    HA   GLN   3           HA       GLN   3 -17.939   6.087   0.840
  247   1HB   GLN   3          1HB       GLN   3 -19.932   7.063   1.885
  248   2HB   GLN   3          2HB       GLN   3 -19.391   6.504   3.463
  249   1HG   GLN   3          1HG       GLN   3 -17.416   7.955   3.278
  250   2HG   GLN   3          2HG       GLN   3 -18.014   8.542   1.727
  251   1HE2  GLN   3          1HE2      GLN   3 -19.121  10.388   5.009
  252   2HE2  GLN   3          2HE2      GLN   3 -17.745   9.355   4.833
  253    H    ALA   4           H        ALA   4 -18.082   4.367   3.916
  254    HA   ALA   4           HA       ALA   4 -15.709   5.247   5.063
  255   1HB   ALA   4          1HB       ALA   4 -17.110   2.590   5.283
  256   2HB   ALA   4          2HB       ALA   4 -15.778   3.092   6.323
  257   3HB   ALA   4          3HB       ALA   4 -17.295   3.989   6.338
  258    H    LEU   5           H        LEU   5 -16.247   2.475   2.916
  259    HA   LEU   5           HA       LEU   5 -13.528   1.651   2.941
  260   1HB   LEU   5          1HB       LEU   5 -15.792   0.979   1.072
  261   2HB   LEU   5          2HB       LEU   5 -14.218   0.208   1.029
  262    HG   LEU   5           HG       LEU   5 -16.121   0.131   3.377
  263   1HD1  LEU   5          1HD1      LEU   5 -16.805  -1.140   1.304
  264   2HD1  LEU   5          2HD1      LEU   5 -15.368  -2.131   1.546
  265   3HD1  LEU   5          3HD1      LEU   5 -16.630  -2.091   2.777
  266   1HD2  LEU   5          1HD2      LEU   5 -13.328  -0.739   2.965
  267   2HD2  LEU   5          2HD2      LEU   5 -14.156  -0.224   4.435
  268   3HD2  LEU   5          3HD2      LEU   5 -14.391  -1.859   3.816
  269    H    LYS   6           H        LYS   6 -15.315   3.941   0.960
  270    HA   LYS   6           HA       LYS   6 -13.489   3.992  -1.205
  271   1HB   LYS   6          1HB       LYS   6 -15.361   6.119  -0.148
  272   2HB   LYS   6          2HB       LYS   6 -14.456   6.257  -1.650
  273   1HG   LYS   6          1HG       LYS   6 -15.619   4.357  -2.573
  274   2HG   LYS   6          2HG       LYS   6 -16.466   4.103  -1.047
  275   1HD   LYS   6          1HD       LYS   6 -17.921   5.240  -2.586
  276   2HD   LYS   6          2HD       LYS   6 -17.482   6.340  -1.282
  277   1HE   LYS   6          1HE       LYS   6 -15.753   7.335  -2.731
  278   2HE   LYS   6          2HE       LYS   6 -16.263   6.270  -4.041
  279   1HZ   LYS   6          1HZ       LYS   6 -18.327   7.910  -2.792
  280   2HZ   LYS   6          2HZ       LYS   6 -17.187   8.718  -3.755
  281   3HZ   LYS   6          3HZ       LYS   6 -18.121   7.471  -4.418
  282    H    LYS   7           H        LYS   7 -13.732   5.805   1.814
  283    HA   LYS   7           HA       LYS   7 -11.541   7.524   1.337
  284   1HB   LYS   7          1HB       LYS   7 -12.197   6.598   4.111
  285   2HB   LYS   7          2HB       LYS   7 -11.741   8.199   3.554
  286   1HG   LYS   7          1HG       LYS   7 -14.416   6.855   3.286
  287   2HG   LYS   7          2HG       LYS   7 -14.007   8.271   4.253
  288   1HD   LYS   7          1HD       LYS   7 -13.695   8.263   1.263
  289   2HD   LYS   7          2HD       LYS   7 -15.243   8.614   2.024
  290   1HE   LYS   7          1HE       LYS   7 -14.150  10.696   1.577
  291   2HE   LYS   7          2HE       LYS   7 -14.155  10.434   3.318
  292   1HZ   LYS   7          1HZ       LYS   7 -11.843   9.819   1.564
  293   2HZ   LYS   7          2HZ       LYS   7 -12.031  11.280   2.401
  294   3HZ   LYS   7          3HZ       LYS   7 -11.869   9.829   3.260
  295    H    ARG   8           H        ARG   8 -11.891   4.302   2.624
  296    HA   ARG   8           HA       ARG   8  -9.277   3.933   3.625
  297   1HB   ARG   8          1HB       ARG   8 -11.158   2.470   4.205
  298   2HB   ARG   8          2HB       ARG   8 -11.267   1.933   2.534
  299   1HG   ARG   8          1HG       ARG   8 -10.169   0.243   3.805
  300   2HG   ARG   8          2HG       ARG   8  -8.981   0.999   2.742
  301   1HD   ARG   8          1HD       ARG   8  -8.008   2.205   4.519
  302   2HD   ARG   8          2HD       ARG   8  -9.371   1.865   5.586
  303    HE   ARG   8           HE       ARG   8  -7.082   0.224   5.154
  304   1HH1  ARG   8          1HH1      ARG   8 -10.474   0.202   6.007
  305   2HH1  ARG   8          2HH1      ARG   8 -10.443  -1.406   6.670
  306   1HH2  ARG   8          1HH2      ARG   8  -7.002  -1.895   6.062
  307   2HH2  ARG   8          2HH2      ARG   8  -8.455  -2.578   6.734
  308    H    VAL   9           H        VAL   9 -10.804   3.140   0.526
  309    HA   VAL   9           HA       VAL   9  -8.615   1.959  -0.724
  310    HB   VAL   9           HB       VAL   9 -10.898   3.545  -1.916
  311   1HG1  VAL   9          1HG1      VAL   9  -8.792   3.377  -3.358
  312   2HG1  VAL   9          2HG1      VAL   9  -9.137   1.650  -3.444
  313   3HG1  VAL   9          3HG1      VAL   9 -10.306   2.813  -4.066
  314   1HG2  VAL   9          1HG2      VAL   9 -10.460   0.701  -1.188
  315   2HG2  VAL   9          2HG2      VAL   9 -11.920   1.688  -1.082
  316   3HG2  VAL   9          3HG2      VAL   9 -11.399   1.049  -2.642
  317    H    GLN  10           H        GLN  10  -9.695   5.354  -0.821
  318    HA   GLN  10           HA       GLN  10  -7.600   6.296  -2.442
  319   1HB   GLN  10          1HB       GLN  10  -9.206   7.796  -0.370
  320   2HB   GLN  10          2HB       GLN  10  -8.206   8.534  -1.615
  321   1HG   GLN  10          1HG       GLN  10 -10.611   6.793  -2.123
  322   2HG   GLN  10          2HG       GLN  10 -10.597   8.553  -2.162
  323   1HE2  GLN  10          1HE2      GLN  10  -8.080   7.970  -5.038
  324   2HE2  GLN  10          2HE2      GLN  10  -7.765   8.266  -3.356
  325    H    ALA  11           H        ALA  11  -7.882   6.000   1.068
  326    HA   ALA  11           HA       ALA  11  -5.496   7.366   1.715
  327   1HB   ALA  11          1HB       ALA  11  -7.296   6.864   3.337
  328   2HB   ALA  11          2HB       ALA  11  -6.842   5.162   3.274
  329   3HB   ALA  11          3HB       ALA  11  -5.704   6.355   3.902
  330    H    LEU  12           H        LEU  12  -6.237   3.939   1.241
  331    HA   LEU  12           HA       LEU  12  -3.637   2.972   1.720
  332   1HB   LEU  12          1HB       LEU  12  -5.961   1.866   0.181
  333   2HB   LEU  12          2HB       LEU  12  -4.443   1.009   0.296
  334    HG   LEU  12           HG       LEU  12  -6.005   1.848   2.730
  335   1HD1  LEU  12          1HD1      LEU  12  -6.176  -0.671   1.085
  336   2HD1  LEU  12          2HD1      LEU  12  -6.692  -0.581   2.771
  337   3HD1  LEU  12          3HD1      LEU  12  -7.484   0.417   1.550
  338   1HD2  LEU  12          1HD2      LEU  12  -3.430   0.986   2.458
  339   2HD2  LEU  12          2HD2      LEU  12  -4.414   0.777   3.907
  340   3HD2  LEU  12          3HD2      LEU  12  -4.287  -0.530   2.728
  341    H    LYS  13           H        LYS  13  -5.303   3.720  -1.351
  342    HA   LYS  13           HA       LYS  13  -3.186   3.043  -3.045
  343   1HB   LYS  13          1HB       LYS  13  -5.611   4.717  -3.274
  344   2HB   LYS  13          2HB       LYS  13  -4.339   5.060  -4.437
  345   1HG   LYS  13          1HG       LYS  13  -6.049   3.440  -5.227
  346   2HG   LYS  13          2HG       LYS  13  -4.396   2.825  -5.273
  347   1HD   LYS  13          1HD       LYS  13  -4.765   1.579  -3.234
  348   2HD   LYS  13          2HD       LYS  13  -6.378   2.271  -3.068
  349   1HE   LYS  13          1HE       LYS  13  -6.474   0.003  -3.957
  350   2HE   LYS  13          2HE       LYS  13  -7.076   1.179  -5.124
  351   1HZ   LYS  13          1HZ       LYS  13  -4.442   0.982  -5.741
  352   2HZ   LYS  13          2HZ       LYS  13  -4.838  -0.609  -5.313
  353   3HZ   LYS  13          3HZ       LYS  13  -5.701   0.183  -6.541
  354    H    ALA  14           H        ALA  14  -3.844   6.114  -1.390
  355    HA   ALA  14           HA       ALA  14  -1.736   7.563  -2.620
  356   1HB   ALA  14          1HB       ALA  14  -3.325   7.929  -0.111
  357   2HB   ALA  14          2HB       ALA  14  -1.932   8.959  -0.442
  358   3HB   ALA  14          3HB       ALA  14  -3.288   8.922  -1.569
  359    H    ARG  15           H        ARG  15  -1.983   5.734   0.386
  360    HA   ARG  15           HA       ARG  15   0.657   6.122   1.313
  361   1HB   ARG  15          1HB       ARG  15  -1.598   4.273   1.874
  362   2HB   ARG  15          2HB       ARG  15  -0.001   3.735   2.368
  363   1HG   ARG  15          1HG       ARG  15  -0.908   6.462   3.135
  364   2HG   ARG  15          2HG       ARG  15  -1.530   5.052   4.000
  365   1HD   ARG  15          1HD       ARG  15   1.374   5.744   3.600
  366   2HD   ARG  15          2HD       ARG  15   0.460   5.946   5.094
  367    HE   ARG  15           HE       ARG  15   0.128   3.328   4.543
  368   1HH1  ARG  15          1HH1      ARG  15   2.950   5.375   4.809
  369   2HH1  ARG  15          2HH1      ARG  15   3.994   4.086   5.314
  370   1HH2  ARG  15          1HH2      ARG  15   1.495   1.621   5.172
  371   2HH2  ARG  15          2HH2      ARG  15   3.179   1.938   5.498
  372    H    ASN  16           H        ASN  16  -0.867   3.655  -0.642
  373    HA   ASN  16           HA       ASN  16   1.294   1.888  -0.920
  374   1HB   ASN  16          1HB       ASN  16  -1.274   2.404  -2.342
  375   2HB   ASN  16          2HB       ASN  16  -0.078   1.420  -3.168
  376   1HD2  ASN  16          1HD2      ASN  16  -1.118  -1.400  -1.503
  377   2HD2  ASN  16          2HD2      ASN  16  -0.558  -0.631  -2.948
  378    H    TYR  17           H        TYR  17   0.161   4.573  -2.917
  379    HA   TYR  17           HA       TYR  17   2.029   4.325  -4.983
  380   1HB   TYR  17          1HB       TYR  17  -0.103   5.849  -4.684
  381   2HB   TYR  17          2HB       TYR  17   1.065   7.017  -4.085
  382    HD1  TYR  17           HD1      TYR  17   2.597   4.932  -6.479
  383    HD2  TYR  17           HD2      TYR  17  -0.034   8.256  -6.130
  384    HE1  TYR  17           HE1      TYR  17   3.094   5.559  -8.800
  385    HE2  TYR  17           HE2      TYR  17   0.455   8.893  -8.456
  386    HH   TYR  17           HH       TYR  17   3.040   7.531 -10.227
  387    H    ALA  18           H        ALA  18   2.139   6.127  -1.929
  388    HA   ALA  18           HA       ALA  18   4.679   7.315  -2.376
  389   1HB   ALA  18          1HB       ALA  18   2.762   7.117  -0.186
  390   2HB   ALA  18          2HB       ALA  18   4.444   7.184   0.345
  391   3HB   ALA  18          3HB       ALA  18   3.790   8.465  -0.677
  392    H    ALA  19           H        ALA  19   3.641   4.393  -0.658
  393    HA   ALA  19           HA       ALA  19   6.141   3.656   0.371
  394   1HB   ALA  19          1HB       ALA  19   3.522   2.410   0.048
  395   2HB   ALA  19          2HB       ALA  19   4.865   1.267   0.010
  396   3HB   ALA  19          3HB       ALA  19   4.657   2.339   1.395
  397    H    LYS  20           H        LYS  20   4.602   2.940  -2.742
  398    HA   LYS  20           HA       LYS  20   6.531   1.082  -3.630
  399   1HB   LYS  20          1HB       LYS  20   4.647   2.886  -5.148
  400   2HB   LYS  20          2HB       LYS  20   5.689   1.707  -5.938
  401   1HG   LYS  20          1HG       LYS  20   4.622  -0.078  -4.618
  402   2HG   LYS  20          2HG       LYS  20   3.548   1.127  -3.909
  403   1HD   LYS  20          1HD       LYS  20   2.646   1.640  -6.114
  404   2HD   LYS  20          2HD       LYS  20   3.732   0.449  -6.843
  405   1HE   LYS  20          1HE       LYS  20   2.679  -1.296  -5.424
  406   2HE   LYS  20          2HE       LYS  20   1.539  -0.084  -4.840
  407   1HZ   LYS  20          1HZ       LYS  20   1.845  -0.874  -7.688
  408   2HZ   LYS  20          2HZ       LYS  20   0.655  -1.475  -6.639
  409   3HZ   LYS  20          3HZ       LYS  20   0.671   0.173  -7.045
  410    H    GLN  21           H        GLN  21   6.353   4.608  -3.837
  411    HA   GLN  21           HA       GLN  21   8.660   4.870  -5.491
  412   1HB   GLN  21          1HB       GLN  21   7.595   6.926  -3.544
  413   2HB   GLN  21          2HB       GLN  21   8.635   7.221  -4.929
  414   1HG   GLN  21          1HG       GLN  21   5.719   6.622  -4.843
  415   2HG   GLN  21          2HG       GLN  21   6.577   7.907  -5.694
  416   1HE2  GLN  21          1HE2      GLN  21   5.499   4.675  -7.645
  417   2HE2  GLN  21          2HE2      GLN  21   4.847   5.249  -6.146
  418    H    LYS  22           H        LYS  22   8.068   4.605  -2.063
  419    HA   LYS  22           HA       LYS  22  10.626   5.328  -1.129
  420   1HB   LYS  22          1HB       LYS  22   8.251   3.989  -0.043
  421   2HB   LYS  22          2HB       LYS  22   9.760   3.431   0.665
  422   1HG   LYS  22          1HG       LYS  22   8.883   6.308   0.521
  423   2HG   LYS  22          2HG       LYS  22   8.724   5.262   1.936
  424   1HD   LYS  22          1HD       LYS  22  11.349   5.850   0.582
  425   2HD   LYS  22          2HD       LYS  22  10.730   6.772   1.951
  426   1HE   LYS  22          1HE       LYS  22  11.113   3.794   2.024
  427   2HE   LYS  22          2HE       LYS  22  12.378   4.931   2.484
  428   1HZ   LYS  22          1HZ       LYS  22  10.554   5.881   4.026
  429   2HZ   LYS  22          2HZ       LYS  22   9.816   4.367   3.822
  430   3HZ   LYS  22          3HZ       LYS  22  11.377   4.474   4.484
  431    H    VAL  23           H        VAL  23   9.214   2.240  -2.103
  432    HA   VAL  23           HA       VAL  23  11.350   0.551  -1.497
  433    HB   VAL  23           HB       VAL  23   9.425   0.341  -3.826
  434   1HG1  VAL  23          1HG1      VAL  23  11.394  -1.581  -2.653
  435   2HG1  VAL  23          2HG1      VAL  23   9.936  -2.163  -3.459
  436   3HG1  VAL  23          3HG1      VAL  23  11.098  -1.174  -4.344
  437   1HG2  VAL  23          1HG2      VAL  23   8.483   0.482  -1.440
  438   2HG2  VAL  23          2HG2      VAL  23   7.955  -0.852  -2.465
  439   3HG2  VAL  23          3HG2      VAL  23   9.173  -1.126  -1.220
  440    H    GLN  24           H        GLN  24  10.607   2.194  -4.571
  441    HA   GLN  24           HA       GLN  24  12.978   1.346  -5.869
  442   1HB   GLN  24          1HB       GLN  24  11.284   3.754  -6.537
  443   2HB   GLN  24          2HB       GLN  24  12.373   2.897  -7.619
  444   1HG   GLN  24          1HG       GLN  24   9.849   1.792  -6.406
  445   2HG   GLN  24          2HG       GLN  24  10.051   2.336  -8.069
  446   1HE2  GLN  24          1HE2      GLN  24  10.896  -0.842  -9.096
  447   2HE2  GLN  24          2HE2      GLN  24  10.095   0.670  -9.384
  448    H    ALA  25           H        ALA  25  12.199   4.130  -3.900
  449    HA   ALA  25           HA       ALA  25  14.503   5.661  -4.543
  450   1HB   ALA  25          1HB       ALA  25  12.249   6.030  -2.944
  451   2HB   ALA  25          2HB       ALA  25  13.613   6.074  -1.824
  452   3HB   ALA  25          3HB       ALA  25  13.566   7.173  -3.200
  453    H    LEU  26           H        LEU  26  13.756   3.321  -2.008
  454    HA   LEU  26           HA       LEU  26  16.267   3.467  -0.700
  455   1HB   LEU  26          1HB       LEU  26  14.246   1.231  -0.782
  456   2HB   LEU  26          2HB       LEU  26  15.592   1.335   0.336
  457    HG   LEU  26           HG       LEU  26  13.331   3.322   0.192
  458   1HD1  LEU  26          1HD1      LEU  26  13.061   0.806   1.058
  459   2HD1  LEU  26          2HD1      LEU  26  13.700   1.554   2.524
  460   3HD1  LEU  26          3HD1      LEU  26  12.223   2.176   1.787
  461   1HD2  LEU  26          1HD2      LEU  26  15.611   4.073   1.022
  462   2HD2  LEU  26          2HD2      LEU  26  14.245   4.311   2.112
  463   3HD2  LEU  26          3HD2      LEU  26  15.363   2.971   2.372
  464    H    ARG  27           H        ARG  27  14.959   1.369  -3.241
  465    HA   ARG  27           HA       ARG  27  17.249  -0.287  -3.436
  466   1HB   ARG  27          1HB       ARG  27  14.867   0.236  -5.167
  467   2HB   ARG  27          2HB       ARG  27  16.208  -0.722  -5.787
  468   1HG   ARG  27          1HG       ARG  27  15.924  -2.373  -4.135
  469   2HG   ARG  27          2HG       ARG  27  14.855  -1.342  -3.182
  470   1HD   ARG  27          1HD       ARG  27  13.091  -1.579  -4.714
  471   2HD   ARG  27          2HD       ARG  27  14.159  -2.215  -5.955
  472    HE   ARG  27           HE       ARG  27  12.867  -3.691  -3.894
  473   1HH1  ARG  27          1HH1      ARG  27  15.653  -3.639  -6.031
  474   2HH1  ARG  27          2HH1      ARG  27  16.046  -5.313  -5.742
  475   1HH2  ARG  27          1HH2      ARG  27  13.369  -5.871  -3.543
  476   2HH2  ARG  27          2HH2      ARG  27  14.740  -6.579  -4.353
  477    H    HIS  28           H        HIS  28  16.680   2.889  -4.354
  478    HA   HIS  28           HA       HIS  28  18.644   2.902  -6.503
  479   1HB   HIS  28          1HB       HIS  28  16.540   4.343  -6.495
  480   2HB   HIS  28          2HB       HIS  28  17.295   5.259  -5.193
  481    HD1  HIS  28           HD1      HIS  28  18.305   4.194  -8.737
  482    HD2  HIS  28           HD2      HIS  28  18.576   7.407  -6.104
  483    HE1  HIS  28           HE1      HIS  28  19.484   6.044  -9.993
  484    H    LYS  29           H        LYS  29  18.226   3.925  -3.174
  485    HA   LYS  29           HA       LYS  29  20.788   5.202  -2.982
  486   1HB   LYS  29          1HB       LYS  29  18.900   5.971  -1.652
  487   2HB   LYS  29          2HB       LYS  29  18.784   4.401  -0.870
  488   1HG   LYS  29          1HG       LYS  29  21.187   4.833  -0.091
  489   2HG   LYS  29          2HG       LYS  29  20.879   6.511  -0.540
  490   1HD   LYS  29          1HD       LYS  29  19.272   4.878   1.424
  491   2HD   LYS  29          2HD       LYS  29  20.453   6.117   1.840
  492   1HE   LYS  29          1HE       LYS  29  19.079   7.803   0.712
  493   2HE   LYS  29          2HE       LYS  29  17.895   6.564   0.296
  494   1HZ   LYS  29          1HZ       LYS  29  18.550   6.716   3.114
  495   2HZ   LYS  29          2HZ       LYS  29  17.790   8.099   2.502
  496   3HZ   LYS  29          3HZ       LYS  29  17.039   6.587   2.362
  497    H    CYS  30           H        CYS  30  19.399   2.173  -1.773
  498    HA   CYS  30           HA       CYS  30  22.157   1.280  -1.168
  499   1HB   CYS  30          1HB       CYS  30  19.658   0.380   0.259
  500   2HB   CYS  30          2HB       CYS  30  21.322   0.010   0.693
  501    H    GLY  31           H        GLY  31  19.968   0.820  -3.439
  502   1HA   GLY  31          1HA       GLY  31  19.846  -2.083  -3.373
  503   2HA   GLY  31          2HA       GLY  31  19.147  -1.038  -4.604
  504   1HN   NH2  32          1HN       NH2  32  20.398  -3.234  -5.459
  505   2HN   NH2  32          2HN       NH2  32  21.927  -2.854  -6.175
  Start of MODEL   13
    1   1H    ACE   0          1H        ACE   0 -19.363   0.774  -7.016
    2   2H    ACE   0          2H        ACE   0 -17.805   0.256  -6.369
    3   3H    ACE   0          3H        ACE   0 -18.467   1.829  -5.917
    4    H    GLU   1           H        GLU   1 -19.102  -1.657  -5.715
    5    HA   GLU   1           HA       GLU   1 -20.976  -1.299  -3.530
    6   1HB   GLU   1          1HB       GLU   1 -19.818  -3.892  -4.549
    7   2HB   GLU   1          2HB       GLU   1 -21.301  -3.668  -3.631
    8   1HG   GLU   1          1HG       GLU   1 -22.407  -2.700  -5.457
    9   2HG   GLU   1          2HG       GLU   1 -20.895  -2.484  -6.335
   10    H    VAL   2           H        VAL   2 -20.674  -2.810  -1.605
   11    HA   VAL   2           HA       VAL   2 -18.343  -2.051  -0.206
   12    HB   VAL   2           HB       VAL   2 -20.298  -4.267   0.442
   13   1HG1  VAL   2          1HG1      VAL   2 -18.031  -3.049   1.940
   14   2HG1  VAL   2          2HG1      VAL   2 -19.461  -3.563   2.830
   15   3HG1  VAL   2          3HG1      VAL   2 -18.558  -4.729   1.862
   16   1HG2  VAL   2          1HG2      VAL   2 -20.941  -1.671   0.205
   17   2HG2  VAL   2          2HG2      VAL   2 -21.699  -2.754   1.375
   18   3HG2  VAL   2          3HG2      VAL   2 -20.383  -1.688   1.879
   19    H    ALA   3           H        ALA   3 -19.396  -5.121  -1.646
   20    HA   ALA   3           HA       ALA   3 -17.131  -6.648  -1.009
   21   1HB   ALA   3          1HB       ALA   3 -19.451  -6.910  -2.713
   22   2HB   ALA   3          2HB       ALA   3 -18.016  -7.619  -3.454
   23   3HB   ALA   3          3HB       ALA   3 -18.535  -8.149  -1.854
   24    H    GLN   4           H        GLN   4 -17.803  -4.556  -3.798
   25    HA   GLN   4           HA       GLN   4 -15.508  -5.187  -5.302
   26   1HB   GLN   4          1HB       GLN   4 -16.986  -2.563  -5.141
   27   2HB   GLN   4          2HB       GLN   4 -15.883  -3.036  -6.422
   28   1HG   GLN   4          1HG       GLN   4 -18.477  -4.423  -5.787
   29   2HG   GLN   4          2HG       GLN   4 -18.251  -3.224  -7.058
   30   1HE2  GLN   4          1HE2      GLN   4 -17.140  -5.520  -9.368
   31   2HE2  GLN   4          2HE2      GLN   4 -17.730  -3.936  -8.997
   32    H    LEU   5           H        LEU   5 -16.152  -2.565  -3.012
   33    HA   LEU   5           HA       LEU   5 -13.582  -1.436  -3.102
   34   1HB   LEU   5          1HB       LEU   5 -15.771  -1.317  -1.044
   35   2HB   LEU   5          2HB       LEU   5 -14.295  -0.373  -0.931
   36    HG   LEU   5           HG       LEU   5 -16.178  -0.201  -3.282
   37   1HD1  LEU   5          1HD1      LEU   5 -17.017   0.458  -0.872
   38   2HD1  LEU   5          2HD1      LEU   5 -16.066   1.908  -1.199
   39   3HD1  LEU   5          3HD1      LEU   5 -17.379   1.450  -2.285
   40   1HD2  LEU   5          1HD2      LEU   5 -13.597   0.671  -3.014
   41   2HD2  LEU   5          2HD2      LEU   5 -14.798   1.351  -4.115
   42   3HD2  LEU   5          3HD2      LEU   5 -14.529   2.092  -2.536
   43    H    GLU   6           H        GLU   6 -14.979  -4.008  -1.150
   44    HA   GLU   6           HA       GLU   6 -12.939  -4.195   0.772
   45   1HB   GLU   6          1HB       GLU   6 -14.960  -6.128  -0.304
   46   2HB   GLU   6          2HB       GLU   6 -13.704  -6.696   0.790
   47   1HG   GLU   6          1HG       GLU   6 -15.496  -4.384   1.452
   48   2HG   GLU   6          2HG       GLU   6 -15.922  -6.056   1.821
   49    H    LYS   7           H        LYS   7 -13.274  -5.600  -2.456
   50    HA   LYS   7           HA       LYS   7 -10.895  -7.175  -2.264
   51   1HB   LYS   7          1HB       LYS   7 -12.497  -6.225  -4.640
   52   2HB   LYS   7          2HB       LYS   7 -11.091  -7.275  -4.779
   53   1HG   LYS   7          1HG       LYS   7 -12.185  -8.978  -3.464
   54   2HG   LYS   7          2HG       LYS   7 -13.571  -7.916  -3.194
   55   1HD   LYS   7          1HD       LYS   7 -12.638  -8.958  -5.869
   56   2HD   LYS   7          2HD       LYS   7 -14.014  -9.567  -4.950
   57   1HE   LYS   7          1HE       LYS   7 -15.025  -7.305  -5.072
   58   2HE   LYS   7          2HE       LYS   7 -13.690  -6.806  -6.106
   59   1HZ   LYS   7          1HZ       LYS   7 -14.372  -8.654  -7.631
   60   2HZ   LYS   7          2HZ       LYS   7 -15.774  -8.828  -6.690
   61   3HZ   LYS   7          3HZ       LYS   7 -15.480  -7.378  -7.509
   62    H    GLU   8           H        GLU   8 -11.637  -3.924  -3.265
   63    HA   GLU   8           HA       GLU   8  -9.091  -3.324  -4.417
   64   1HB   GLU   8          1HB       GLU   8 -11.177  -2.105  -4.965
   65   2HB   GLU   8          2HB       GLU   8 -11.263  -1.513  -3.315
   66   1HG   GLU   8          1HG       GLU   8 -10.428   0.271  -4.502
   67   2HG   GLU   8          2HG       GLU   8  -8.986  -0.445  -3.782
   68    H    VAL   9           H        VAL   9 -10.586  -2.927  -1.241
   69    HA   VAL   9           HA       VAL   9  -8.477  -1.452  -0.052
   70    HB   VAL   9           HB       VAL   9 -10.671  -3.151   1.144
   71   1HG1  VAL   9          1HG1      VAL   9  -8.257  -2.300   2.405
   72   2HG1  VAL   9          2HG1      VAL   9  -9.614  -1.412   3.100
   73   3HG1  VAL   9          3HG1      VAL   9  -9.622  -3.177   3.099
   74   1HG2  VAL   9          1HG2      VAL   9 -10.844  -0.710   0.016
   75   2HG2  VAL   9          2HG2      VAL   9 -11.881  -1.254   1.332
   76   3HG2  VAL   9          3HG2      VAL   9 -10.469  -0.260   1.678
   77    H    ALA  10           H        ALA  10  -9.293  -4.891  -0.152
   78    HA   ALA  10           HA       ALA  10  -7.131  -5.813   1.404
   79   1HB   ALA  10          1HB       ALA  10  -9.022  -7.054  -0.529
   80   2HB   ALA  10          2HB       ALA  10  -7.577  -7.954  -0.071
   81   3HB   ALA  10          3HB       ALA  10  -8.723  -7.440   1.166
   82    H    GLN  11           H        GLN  11  -7.451  -4.870  -1.919
   83    HA   GLN  11           HA       GLN  11  -5.108  -6.045  -2.975
   84   1HB   GLN  11          1HB       GLN  11  -6.991  -5.064  -4.336
   85   2HB   GLN  11          2HB       GLN  11  -6.468  -3.474  -3.817
   86   1HG   GLN  11          1HG       GLN  11  -5.702  -4.110  -6.088
   87   2HG   GLN  11          2HG       GLN  11  -4.410  -3.660  -4.978
   88   1HE2  GLN  11          1HE2      GLN  11  -2.676  -6.584  -5.488
   89   2HE2  GLN  11          2HE2      GLN  11  -2.711  -4.908  -5.032
   90    H    ALA  12           H        ALA  12  -5.868  -2.836  -1.751
   91    HA   ALA  12           HA       ALA  12  -3.256  -1.797  -1.944
   92   1HB   ALA  12          1HB       ALA  12  -5.562  -0.614  -1.640
   93   2HB   ALA  12          2HB       ALA  12  -5.164  -0.751   0.071
   94   3HB   ALA  12          3HB       ALA  12  -4.083   0.118  -1.018
   95    H    GLU  13           H        GLU  13  -5.048  -3.236   0.749
   96    HA   GLU  13           HA       GLU  13  -3.049  -2.812   2.682
   97   1HB   GLU  13          1HB       GLU  13  -5.386  -4.684   2.508
   98   2HB   GLU  13          2HB       GLU  13  -4.281  -4.724   3.879
   99   1HG   GLU  13          1HG       GLU  13  -4.733  -2.205   4.050
  100   2HG   GLU  13          2HG       GLU  13  -6.107  -2.525   2.997
  101    H    ALA  14           H        ALA  14  -3.576  -5.461   0.393
  102    HA   ALA  14           HA       ALA  14  -1.664  -7.227   1.534
  103   1HB   ALA  14          1HB       ALA  14  -3.160  -7.069  -0.994
  104   2HB   ALA  14          2HB       ALA  14  -1.599  -7.883  -1.102
  105   3HB   ALA  14          3HB       ALA  14  -2.817  -8.457   0.037
  106    H    GLU  15           H        GLU  15  -1.502  -4.761  -0.993
  107    HA   GLU  15           HA       GLU  15   1.249  -5.124  -1.573
  108   1HB   GLU  15          1HB       GLU  15  -0.590  -2.763  -1.993
  109   2HB   GLU  15          2HB       GLU  15   1.067  -2.821  -2.575
  110   1HG   GLU  15          1HG       GLU  15   0.568  -4.642  -4.027
  111   2HG   GLU  15          2HG       GLU  15  -1.041  -4.813  -3.337
  112    H    ASN  16           H        ASN  16  -0.533  -2.819   0.454
  113    HA   ASN  16           HA       ASN  16   1.554  -1.280   1.415
  114   1HB   ASN  16          1HB       ASN  16  -1.010  -1.116   1.815
  115   2HB   ASN  16          2HB       ASN  16  -0.707  -2.159   3.200
  116   1HD2  ASN  16          1HD2      ASN  16  -0.288   1.724   3.594
  117   2HD2  ASN  16          2HD2      ASN  16  -1.163   0.924   2.331
  118    H    TYR  17           H        TYR  17   0.344  -4.367   2.607
  119    HA   TYR  17           HA       TYR  17   1.935  -4.668   4.881
  120   1HB   TYR  17          1HB       TYR  17   0.055  -6.139   4.431
  121   2HB   TYR  17          2HB       TYR  17   0.801  -6.702   2.944
  122    HD1  TYR  17           HD1      TYR  17   2.874  -8.137   3.092
  123    HD2  TYR  17           HD2      TYR  17   0.495  -7.205   6.491
  124    HE1  TYR  17           HE1      TYR  17   3.878 -10.026   4.300
  125    HE2  TYR  17           HE2      TYR  17   1.490  -9.093   7.710
  126    HH   TYR  17           HH       TYR  17   4.214 -10.514   6.997
  127    H    GLN  18           H        GLN  18   2.518  -5.537   1.519
  128    HA   GLN  18           HA       GLN  18   5.088  -6.697   1.951
  129   1HB   GLN  18          1HB       GLN  18   3.793  -5.625  -0.563
  130   2HB   GLN  18          2HB       GLN  18   5.269  -6.578  -0.523
  131   1HG   GLN  18          1HG       GLN  18   4.092  -8.490   0.276
  132   2HG   GLN  18          2HG       GLN  18   2.616  -7.549   0.503
  133   1HE2  GLN  18          1HE2      GLN  18   1.477  -8.174  -2.684
  134   2HE2  GLN  18          2HE2      GLN  18   1.174  -7.769  -1.024
  135    H    LEU  19           H        LEU  19   3.953  -3.533   0.829
  136    HA   LEU  19           HA       LEU  19   6.428  -2.415   0.174
  137   1HB   LEU  19          1HB       LEU  19   4.162  -0.858   1.402
  138   2HB   LEU  19          2HB       LEU  19   5.386  -0.275   0.294
  139    HG   LEU  19           HG       LEU  19   3.058  -2.084  -0.341
  140   1HD1  LEU  19          1HD1      LEU  19   3.495   0.736  -0.459
  141   2HD1  LEU  19          2HD1      LEU  19   3.226   0.101  -2.081
  142   3HD1  LEU  19          3HD1      LEU  19   2.034  -0.186  -0.811
  143   1HD2  LEU  19          1HD2      LEU  19   5.597  -2.012  -1.614
  144   2HD2  LEU  19          2HD2      LEU  19   4.154  -2.918  -2.071
  145   3HD2  LEU  19          3HD2      LEU  19   4.404  -1.288  -2.693
  146    H    GLU  20           H        GLU  20   4.696  -2.463   3.264
  147    HA   GLU  20           HA       GLU  20   6.483  -0.858   4.721
  148   1HB   GLU  20          1HB       GLU  20   4.538  -3.014   5.508
  149   2HB   GLU  20          2HB       GLU  20   5.529  -2.194   6.708
  150   1HG   GLU  20          1HG       GLU  20   3.811  -0.653   4.805
  151   2HG   GLU  20          2HG       GLU  20   3.152  -1.347   6.287
  152    H    GLN  21           H        GLN  21   6.263  -4.390   4.471
  153    HA   GLN  21           HA       GLN  21   8.521  -4.909   6.073
  154   1HB   GLN  21          1HB       GLN  21   7.064  -6.552   4.008
  155   2HB   GLN  21          2HB       GLN  21   8.427  -7.183   4.929
  156   1HG   GLN  21          1HG       GLN  21   7.195  -6.632   7.014
  157   2HG   GLN  21          2HG       GLN  21   5.814  -6.176   6.023
  158   1HE2  GLN  21          1HE2      GLN  21   6.142  -9.905   4.972
  159   2HE2  GLN  21          2HE2      GLN  21   6.869  -8.523   4.218
  160    H    GLU  22           H        GLU  22   8.138  -4.244   2.662
  161    HA   GLU  22           HA       GLU  22  10.784  -4.984   1.902
  162   1HB   GLU  22          1HB       GLU  22   8.892  -4.832   0.311
  163   2HB   GLU  22          2HB       GLU  22   8.830  -3.097   0.569
  164   1HG   GLU  22          1HG       GLU  22   9.945  -3.466  -1.468
  165   2HG   GLU  22          2HG       GLU  22  11.160  -2.960  -0.303
  166    H    VAL  23           H        VAL  23   9.180  -1.914   2.752
  167    HA   VAL  23           HA       VAL  23  11.419  -0.255   2.335
  168    HB   VAL  23           HB       VAL  23   8.951   0.072   4.030
  169   1HG1  VAL  23          1HG1      VAL  23  11.347   1.331   4.634
  170   2HG1  VAL  23          2HG1      VAL  23  10.475   2.514   3.661
  171   3HG1  VAL  23          3HG1      VAL  23   9.736   1.854   5.126
  172   1HG2  VAL  23          1HG2      VAL  23   8.900   0.262   1.515
  173   2HG2  VAL  23          2HG2      VAL  23   8.311   1.672   2.394
  174   3HG2  VAL  23          3HG2      VAL  23   9.926   1.686   1.681
  175    H    ALA  24           H        ALA  24  10.189  -1.770   5.325
  176    HA   ALA  24           HA       ALA  24  12.144  -0.826   7.074
  177   1HB   ALA  24          1HB       ALA  24  10.032  -2.143   7.621
  178   2HB   ALA  24          2HB       ALA  24  10.981  -3.589   7.271
  179   3HB   ALA  24          3HB       ALA  24  11.472  -2.508   8.574
  180    H    GLN  25           H        GLN  25  12.115  -3.707   5.045
  181    HA   GLN  25           HA       GLN  25  14.558  -4.799   5.892
  182   1HB   GLN  25          1HB       GLN  25  12.780  -5.966   4.573
  183   2HB   GLN  25          2HB       GLN  25  13.281  -5.044   3.165
  184   1HG   GLN  25          1HG       GLN  25  15.419  -6.097   3.148
  185   2HG   GLN  25          2HG       GLN  25  15.101  -6.886   4.693
  186   1HE2  GLN  25          1HE2      GLN  25  12.327  -8.457   2.376
  187   2HE2  GLN  25          2HE2      GLN  25  12.242  -6.932   3.190
  188    H    LEU  26           H        LEU  26  13.793  -2.753   3.075
  189    HA   LEU  26           HA       LEU  26  16.421  -2.576   2.122
  190   1HB   LEU  26          1HB       LEU  26  14.107  -0.680   1.802
  191   2HB   LEU  26          2HB       LEU  26  15.623  -0.529   0.934
  192    HG   LEU  26           HG       LEU  26  13.759  -2.900   0.751
  193   1HD1  LEU  26          1HD1      LEU  26  12.830  -0.847  -0.255
  194   2HD1  LEU  26          2HD1      LEU  26  14.275  -0.711  -1.258
  195   3HD1  LEU  26          3HD1      LEU  26  13.193  -2.091  -1.450
  196   1HD2  LEU  26          1HD2      LEU  26  16.499  -2.416  -0.132
  197   2HD2  LEU  26          2HD2      LEU  26  15.602  -3.928   0.017
  198   3HD2  LEU  26          3HD2      LEU  26  15.419  -2.932  -1.428
  199    H    GLU  27           H        GLU  27  14.645  -0.397   4.312
  200    HA   GLU  27           HA       GLU  27  16.658   1.550   4.579
  201   1HB   GLU  27          1HB       GLU  27  14.555   0.653   6.568
  202   2HB   GLU  27          2HB       GLU  27  15.523   2.109   6.732
  203   1HG   GLU  27          1HG       GLU  27  13.989   1.779   4.223
  204   2HG   GLU  27          2HG       GLU  27  13.077   2.098   5.694
  205    H    HIS  28           H        HIS  28  15.990  -1.377   6.424
  206    HA   HIS  28           HA       HIS  28  18.039  -1.083   8.339
  207   1HB   HIS  28          1HB       HIS  28  16.089  -2.508   8.678
  208   2HB   HIS  28          2HB       HIS  28  16.583  -3.546   7.350
  209    HD1  HIS  28           HD1      HIS  28  18.488  -2.342  10.461
  210    HD2  HIS  28           HD2      HIS  28  17.408  -5.818   8.440
  211    HE1  HIS  28           HE1      HIS  28  19.552  -4.266  11.720
  212    H    GLU  29           H        GLU  29  17.901  -2.863   5.269
  213    HA   GLU  29           HA       GLU  29  20.544  -3.912   5.524
  214   1HB   GLU  29          1HB       GLU  29  18.659  -3.695   3.185
  215   2HB   GLU  29          2HB       GLU  29  20.235  -4.465   3.078
  216   1HG   GLU  29          1HG       GLU  29  18.106  -5.306   5.020
  217   2HG   GLU  29          2HG       GLU  29  18.306  -6.014   3.418
  218    H    CYS  30           H        CYS  30  19.249  -0.927   4.391
  219    HA   CYS  30           HA       CYS  30  21.517  -0.242   2.751
  220   1HB   CYS  30          1HB       CYS  30  19.257   0.666   2.290
  221   2HB   CYS  30          2HB       CYS  30  19.292   1.505   3.833
  222    H    GLY  31           H        GLY  31  20.808  -0.200   6.076
  223   1HA   GLY  31          1HA       GLY  31  22.873   0.202   7.434
  224   2HA   GLY  31          2HA       GLY  31  23.014   1.711   6.538
  225   1HN   NH2  32          1HN       NH2  32  21.189   3.242   6.745
  226   2HN   NH2  32          2HN       NH2  32  20.400   3.356   8.283
  227   1H    ACE   0          1H        ACE   0 -18.133  -2.104   6.944
  228   2H    ACE   0          2H        ACE   0 -17.853  -0.383   7.221
  229   3H    ACE   0          3H        ACE   0 -16.777  -1.293   6.156
  230    H    GLU   1           H        GLU   1 -18.940   1.024   5.977
  231    HA   GLU   1           HA       GLU   1 -20.634  -0.019   3.891
  232   1HB   GLU   1          1HB       GLU   1 -21.295   2.497   3.733
  233   2HB   GLU   1          2HB       GLU   1 -21.833   1.532   5.098
  234   1HG   GLU   1          1HG       GLU   1 -19.298   3.084   5.305
  235   2HG   GLU   1          2HG       GLU   1 -20.847   3.914   5.460
  236    H    VAL   2           H        VAL   2 -20.876   1.300   1.852
  237    HA   VAL   2           HA       VAL   2 -18.583   1.066   0.301
  238    HB   VAL   2           HB       VAL   2 -21.149   2.579  -0.135
  239   1HG1  VAL   2          1HG1      VAL   2 -18.683   2.610  -1.833
  240   2HG1  VAL   2          2HG1      VAL   2 -20.281   2.732  -2.569
  241   3HG1  VAL   2          3HG1      VAL   2 -19.756   3.940  -1.397
  242   1HG2  VAL   2          1HG2      VAL   2 -19.968  -0.008  -1.020
  243   2HG2  VAL   2          2HG2      VAL   2 -21.612   0.366  -0.503
  244   3HG2  VAL   2          3HG2      VAL   2 -21.068   0.827  -2.116
  245    H    GLN   3           H        GLN   3 -20.058   4.086   1.529
  246    HA   GLN   3           HA       GLN   3 -18.010   5.780   0.605
  247   1HB   GLN   3          1HB       GLN   3 -20.290   6.491   1.379
  248   2HB   GLN   3          2HB       GLN   3 -19.754   6.227   3.030
  249   1HG   GLN   3          1HG       GLN   3 -19.668   8.590   2.342
  250   2HG   GLN   3          2HG       GLN   3 -18.103   7.949   2.837
  251   1HE2  GLN   3          1HE2      GLN   3 -16.608   9.083  -0.050
  252   2HE2  GLN   3          2HE2      GLN   3 -16.559   8.781   1.653
  253    H    ALA   4           H        ALA   4 -18.285   3.803   3.461
  254    HA   ALA   4           HA       ALA   4 -16.180   5.009   4.943
  255   1HB   ALA   4          1HB       ALA   4 -17.881   3.550   5.963
  256   2HB   ALA   4          2HB       ALA   4 -17.211   2.178   5.081
  257   3HB   ALA   4          3HB       ALA   4 -16.242   2.995   6.305
  258    H    LEU   5           H        LEU   5 -16.344   2.191   2.806
  259    HA   LEU   5           HA       LEU   5 -13.601   1.536   3.043
  260   1HB   LEU   5          1HB       LEU   5 -15.643   0.777   0.966
  261   2HB   LEU   5          2HB       LEU   5 -14.029   0.094   1.056
  262    HG   LEU   5           HG       LEU   5 -16.159  -0.138   3.186
  263   1HD1  LEU   5          1HD1      LEU   5 -15.389  -1.799   0.880
  264   2HD1  LEU   5          2HD1      LEU   5 -15.614  -2.656   2.405
  265   3HD1  LEU   5          3HD1      LEU   5 -16.925  -1.684   1.738
  266   1HD2  LEU   5          1HD2      LEU   5 -13.397  -1.342   3.024
  267   2HD2  LEU   5          2HD2      LEU   5 -13.924  -0.097   4.153
  268   3HD2  LEU   5          3HD2      LEU   5 -14.608  -1.719   4.248
  269    H    LYS   6           H        LYS   6 -15.327   3.803   1.029
  270    HA   LYS   6           HA       LYS   6 -13.389   4.040  -1.022
  271   1HB   LYS   6          1HB       LYS   6 -15.458   5.965   0.043
  272   2HB   LYS   6          2HB       LYS   6 -14.430   6.329  -1.339
  273   1HG   LYS   6          1HG       LYS   6 -15.370   4.564  -2.610
  274   2HG   LYS   6          2HG       LYS   6 -16.212   3.916  -1.204
  275   1HD   LYS   6          1HD       LYS   6 -17.782   5.081  -2.590
  276   2HD   LYS   6          2HD       LYS   6 -17.548   5.994  -1.103
  277   1HE   LYS   6          1HE       LYS   6 -16.066   7.535  -2.238
  278   2HE   LYS   6          2HE       LYS   6 -16.173   6.586  -3.721
  279   1HZ   LYS   6          1HZ       LYS   6 -18.689   7.509  -2.584
  280   2HZ   LYS   6          2HZ       LYS   6 -17.688   8.700  -3.257
  281   3HZ   LYS   6          3HZ       LYS   6 -18.205   7.391  -4.205
  282    H    LYS   7           H        LYS   7 -13.817   5.523   2.128
  283    HA   LYS   7           HA       LYS   7 -11.651   7.368   1.891
  284   1HB   LYS   7          1HB       LYS   7 -12.667   6.210   4.489
  285   2HB   LYS   7          2HB       LYS   7 -11.917   7.777   4.224
  286   1HG   LYS   7          1HG       LYS   7 -14.688   6.894   3.480
  287   2HG   LYS   7          2HG       LYS   7 -14.208   8.183   4.583
  288   1HD   LYS   7          1HD       LYS   7 -13.837   8.141   1.591
  289   2HD   LYS   7          2HD       LYS   7 -15.009   9.110   2.491
  290   1HE   LYS   7          1HE       LYS   7 -13.189  10.307   3.601
  291   2HE   LYS   7          2HE       LYS   7 -12.007   9.331   2.731
  292   1HZ   LYS   7          1HZ       LYS   7 -12.907  10.236   0.642
  293   2HZ   LYS   7          2HZ       LYS   7 -13.940  11.246   1.533
  294   3HZ   LYS   7          3HZ       LYS   7 -12.260  11.437   1.646
  295    H    ARG   8           H        ARG   8 -12.030   4.074   2.950
  296    HA   ARG   8           HA       ARG   8  -9.483   3.683   4.108
  297   1HB   ARG   8          1HB       ARG   8 -11.394   2.151   4.443
  298   2HB   ARG   8          2HB       ARG   8 -11.312   1.689   2.750
  299   1HG   ARG   8          1HG       ARG   8 -10.283  -0.032   4.013
  300   2HG   ARG   8          2HG       ARG   8  -9.000   0.840   3.172
  301   1HD   ARG   8          1HD       ARG   8  -8.531   2.105   5.216
  302   2HD   ARG   8          2HD       ARG   8  -9.808   1.221   6.050
  303    HE   ARG   8           HE       ARG   8  -8.031  -0.654   5.000
  304   1HH1  ARG   8          1HH1      ARG   8  -8.113   1.841   7.462
  305   2HH1  ARG   8          2HH1      ARG   8  -6.841   1.122   8.411
  306   1HH2  ARG   8          1HH2      ARG   8  -6.382  -1.606   6.259
  307   2HH2  ARG   8          2HH2      ARG   8  -5.846  -0.821   7.712
  308    H    VAL   9           H        VAL   9 -10.777   3.153   0.864
  309    HA   VAL   9           HA       VAL   9  -8.501   2.072  -0.338
  310    HB   VAL   9           HB       VAL   9 -10.729   3.735  -1.529
  311   1HG1  VAL   9          1HG1      VAL   9  -8.522   3.715  -2.835
  312   2HG1  VAL   9          2HG1      VAL   9  -8.858   2.006  -3.116
  313   3HG1  VAL   9          3HG1      VAL   9  -9.987   3.232  -3.692
  314   1HG2  VAL   9          1HG2      VAL   9 -10.508   1.002  -0.694
  315   2HG2  VAL   9          2HG2      VAL   9 -11.908   1.864  -1.340
  316   3HG2  VAL   9          3HG2      VAL   9 -10.773   1.076  -2.437
  317    H    GLN  10           H        GLN  10  -9.586   5.463  -0.174
  318    HA   GLN  10           HA       GLN  10  -7.405   6.541  -1.578
  319   1HB   GLN  10          1HB       GLN  10  -9.205   7.822   0.481
  320   2HB   GLN  10          2HB       GLN  10  -8.082   8.701  -0.549
  321   1HG   GLN  10          1HG       GLN  10 -10.376   7.016  -1.526
  322   2HG   GLN  10          2HG       GLN  10 -10.390   8.772  -1.373
  323   1HE2  GLN  10          1HE2      GLN  10  -9.311   9.077  -4.645
  324   2HE2  GLN  10          2HE2      GLN  10 -10.419   9.529  -3.392
  325    H    ALA  11           H        ALA  11  -7.897   6.026   1.899
  326    HA   ALA  11           HA       ALA  11  -5.536   7.313   2.752
  327   1HB   ALA  11          1HB       ALA  11  -7.421   5.349   3.959
  328   2HB   ALA  11          2HB       ALA  11  -5.859   5.607   4.738
  329   3HB   ALA  11          3HB       ALA  11  -6.964   6.963   4.506
  330    H    LEU  12           H        LEU  12  -6.211   4.020   1.726
  331    HA   LEU  12           HA       LEU  12  -3.617   3.023   2.388
  332   1HB   LEU  12          1HB       LEU  12  -5.867   1.973   0.699
  333   2HB   LEU  12          2HB       LEU  12  -4.339   1.130   0.830
  334    HG   LEU  12           HG       LEU  12  -5.962   1.826   3.259
  335   1HD1  LEU  12          1HD1      LEU  12  -6.518  -0.149   1.195
  336   2HD1  LEU  12          2HD1      LEU  12  -6.322  -0.865   2.797
  337   3HD1  LEU  12          3HD1      LEU  12  -7.522   0.402   2.536
  338   1HD2  LEU  12          1HD2      LEU  12  -3.456   1.088   3.208
  339   2HD2  LEU  12          2HD2      LEU  12  -4.563   0.367   4.376
  340   3HD2  LEU  12          3HD2      LEU  12  -4.136  -0.509   2.906
  341    H    LYS  13           H        LYS  13  -5.225   3.719  -0.721
  342    HA   LYS  13           HA       LYS  13  -3.066   3.276  -2.399
  343   1HB   LYS  13          1HB       LYS  13  -5.546   4.910  -2.582
  344   2HB   LYS  13          2HB       LYS  13  -4.289   5.215  -3.771
  345   1HG   LYS  13          1HG       LYS  13  -6.023   3.596  -4.514
  346   2HG   LYS  13          2HG       LYS  13  -4.376   2.966  -4.563
  347   1HD   LYS  13          1HD       LYS  13  -4.728   1.686  -2.578
  348   2HD   LYS  13          2HD       LYS  13  -6.278   2.471  -2.278
  349   1HE   LYS  13          1HE       LYS  13  -6.533   0.198  -3.197
  350   2HE   LYS  13          2HE       LYS  13  -7.236   1.433  -4.238
  351   1HZ   LYS  13          1HZ       LYS  13  -4.576   0.162  -4.644
  352   2HZ   LYS  13          2HZ       LYS  13  -5.991  -0.227  -5.495
  353   3HZ   LYS  13          3HZ       LYS  13  -5.309   1.309  -5.659
  354    H    ALA  14           H        ALA  14  -3.850   6.187  -0.552
  355    HA   ALA  14           HA       ALA  14  -1.877   7.837  -1.763
  356   1HB   ALA  14          1HB       ALA  14  -3.761   8.047   0.408
  357   2HB   ALA  14          2HB       ALA  14  -2.203   8.739   0.862
  358   3HB   ALA  14          3HB       ALA  14  -3.041   9.321  -0.576
  359    H    ARG  15           H        ARG  15  -1.891   5.798   1.120
  360    HA   ARG  15           HA       ARG  15   0.789   6.403   1.884
  361   1HB   ARG  15          1HB       ARG  15  -0.915   5.529   3.461
  362   2HB   ARG  15          2HB       ARG  15  -0.919   4.002   2.587
  363   1HG   ARG  15          1HG       ARG  15   0.764   3.273   3.810
  364   2HG   ARG  15          2HG       ARG  15   1.760   4.635   3.295
  365   1HD   ARG  15          1HD       ARG  15   0.713   6.007   5.077
  366   2HD   ARG  15          2HD       ARG  15  -0.154   4.572   5.624
  367    HE   ARG  15           HE       ARG  15   2.557   5.251   6.167
  368   1HH1  ARG  15          1HH1      ARG  15   0.369   2.537   5.754
  369   2HH1  ARG  15          2HH1      ARG  15   1.430   1.402   6.532
  370   1HH2  ARG  15          1HH2      ARG  15   3.938   3.761   7.194
  371   2HH2  ARG  15          2HH2      ARG  15   3.474   2.088   7.322
  372    H    ASN  16           H        ASN  16  -0.763   3.893  -0.006
  373    HA   ASN  16           HA       ASN  16   1.435   2.203  -0.421
  374   1HB   ASN  16          1HB       ASN  16  -1.175   2.699  -1.807
  375   2HB   ASN  16          2HB       ASN  16   0.018   1.686  -2.592
  376   1HD2  ASN  16          1HD2      ASN  16  -1.044  -1.095  -0.863
  377   2HD2  ASN  16          2HD2      ASN  16  -0.420  -0.373  -2.305
  378    H    TYR  17           H        TYR  17   0.228   5.017  -2.187
  379    HA   TYR  17           HA       TYR  17   1.944   4.864  -4.403
  380   1HB   TYR  17          1HB       TYR  17  -0.100   6.372  -4.069
  381   2HB   TYR  17          2HB       TYR  17   0.970   7.444  -3.175
  382    HD1  TYR  17           HD1      TYR  17   1.166   5.555  -6.395
  383    HD2  TYR  17           HD2      TYR  17   1.658   9.280  -4.400
  384    HE1  TYR  17           HE1      TYR  17   1.881   6.583  -8.507
  385    HE2  TYR  17           HE2      TYR  17   2.374  10.320  -6.510
  386    HH   TYR  17           HH       TYR  17   2.362  10.043  -8.807
  387    H    ALA  18           H        ALA  18   2.279   6.542  -1.302
  388    HA   ALA  18           HA       ALA  18   4.844   7.641  -1.874
  389   1HB   ALA  18          1HB       ALA  18   3.118   7.404   0.515
  390   2HB   ALA  18          2HB       ALA  18   4.840   7.637   0.801
  391   3HB   ALA  18          3HB       ALA  18   3.940   8.812  -0.157
  392    H    ALA  19           H        ALA  19   3.756   4.716  -0.213
  393    HA   ALA  19           HA       ALA  19   6.270   3.861   0.713
  394   1HB   ALA  19          1HB       ALA  19   3.983   3.011   1.411
  395   2HB   ALA  19          2HB       ALA  19   4.030   2.008  -0.039
  396   3HB   ALA  19          3HB       ALA  19   5.254   1.802   1.214
  397    H    LYS  20           H        LYS  20   4.559   3.220  -2.341
  398    HA   LYS  20           HA       LYS  20   6.339   1.315  -3.374
  399   1HB   LYS  20          1HB       LYS  20   4.500   3.301  -4.681
  400   2HB   LYS  20          2HB       LYS  20   5.525   2.240  -5.638
  401   1HG   LYS  20          1HG       LYS  20   4.483   0.296  -4.544
  402   2HG   LYS  20          2HG       LYS  20   3.402   1.394  -3.681
  403   1HD   LYS  20          1HD       LYS  20   2.452   2.165  -5.749
  404   2HD   LYS  20          2HD       LYS  20   3.637   1.246  -6.680
  405   1HE   LYS  20          1HE       LYS  20   2.712  -0.837  -5.698
  406   2HE   LYS  20          2HE       LYS  20   1.451   0.124  -4.928
  407   1HZ   LYS  20          1HZ       LYS  20   1.699   0.616  -7.750
  408   2HZ   LYS  20          2HZ       LYS  20   1.306  -0.992  -7.389
  409   3HZ   LYS  20          3HZ       LYS  20   0.319   0.260  -6.829
  410    H    GLN  21           H        GLN  21   6.333   4.846  -3.631
  411    HA   GLN  21           HA       GLN  21   8.639   5.011  -5.281
  412   1HB   GLN  21          1HB       GLN  21   7.498   7.060  -3.358
  413   2HB   GLN  21          2HB       GLN  21   8.690   7.386  -4.610
  414   1HG   GLN  21          1HG       GLN  21   7.114   6.902  -6.334
  415   2HG   GLN  21          2HG       GLN  21   5.932   6.322  -5.160
  416   1HE2  GLN  21          1HE2      GLN  21   4.537   9.419  -4.651
  417   2HE2  GLN  21          2HE2      GLN  21   4.472   7.698  -4.480
  418    H    LYS  22           H        LYS  22   8.112   4.727  -1.846
  419    HA   LYS  22           HA       LYS  22  10.757   5.400  -1.043
  420   1HB   LYS  22          1HB       LYS  22   8.341   4.351   0.212
  421   2HB   LYS  22          2HB       LYS  22   9.797   3.594   0.841
  422   1HG   LYS  22          1HG       LYS  22   9.236   6.553   0.754
  423   2HG   LYS  22          2HG       LYS  22   9.157   5.516   2.182
  424   1HD   LYS  22          1HD       LYS  22  11.676   5.014   1.170
  425   2HD   LYS  22          2HD       LYS  22  11.463   6.740   0.879
  426   1HE   LYS  22          1HE       LYS  22  12.469   6.494   3.024
  427   2HE   LYS  22          2HE       LYS  22  10.792   6.975   3.277
  428   1HZ   LYS  22          1HZ       LYS  22  11.252   4.120   3.221
  429   2HZ   LYS  22          2HZ       LYS  22  11.979   4.924   4.522
  430   3HZ   LYS  22          3HZ       LYS  22  10.300   5.038   4.274
  431    H    VAL  23           H        VAL  23   9.085   2.383  -1.795
  432    HA   VAL  23           HA       VAL  23  11.179   0.603  -1.247
  433    HB   VAL  23           HB       VAL  23   8.931   0.392  -3.266
  434   1HG1  VAL  23          1HG1      VAL  23  10.837  -1.720  -2.272
  435   2HG1  VAL  23          2HG1      VAL  23   9.350  -2.056  -3.160
  436   3HG1  VAL  23          3HG1      VAL  23  10.652  -1.142  -3.930
  437   1HG2  VAL  23          1HG2      VAL  23   8.361   0.616  -0.815
  438   2HG2  VAL  23          2HG2      VAL  23   7.734  -0.817  -1.629
  439   3HG2  VAL  23          3HG2      VAL  23   9.147  -0.947  -0.581
  440    H    GLN  24           H        GLN  24  10.217   2.158  -4.304
  441    HA   GLN  24           HA       GLN  24  12.321   1.052  -5.822
  442   1HB   GLN  24          1HB       GLN  24  11.663   2.532  -7.571
  443   2HB   GLN  24          2HB       GLN  24  10.201   2.019  -6.744
  444   1HG   GLN  24          1HG       GLN  24  10.165   4.123  -5.523
  445   2HG   GLN  24          2HG       GLN  24  11.611   4.643  -6.386
  446   1HE2  GLN  24          1HE2      GLN  24   9.872   5.861  -9.085
  447   2HE2  GLN  24          2HE2      GLN  24  11.335   5.758  -8.161
  448    H    ALA  25           H        ALA  25  12.114   3.947  -3.849
  449    HA   ALA  25           HA       ALA  25  14.545   5.092  -4.834
  450   1HB   ALA  25          1HB       ALA  25  12.499   6.079  -3.374
  451   2HB   ALA  25          2HB       ALA  25  13.694   5.807  -2.107
  452   3HB   ALA  25          3HB       ALA  25  14.085   6.841  -3.481
  453    H    LEU  26           H        LEU  26  13.655   3.116  -2.044
  454    HA   LEU  26           HA       LEU  26  16.215   3.102  -0.845
  455   1HB   LEU  26          1HB       LEU  26  13.952   1.121  -0.655
  456   2HB   LEU  26          2HB       LEU  26  15.377   1.099   0.367
  457    HG   LEU  26           HG       LEU  26  13.391   3.370   0.241
  458   1HD1  LEU  26          1HD1      LEU  26  13.472   0.879   1.788
  459   2HD1  LEU  26          2HD1      LEU  26  13.228   2.343   2.746
  460   3HD1  LEU  26          3HD1      LEU  26  12.119   1.954   1.427
  461   1HD2  LEU  26          1HD2      LEU  26  16.046   3.172   1.267
  462   2HD2  LEU  26          2HD2      LEU  26  14.939   4.546   1.294
  463   3HD2  LEU  26          3HD2      LEU  26  14.913   3.366   2.606
  464    H    ARG  27           H        ARG  27  14.649   0.944  -3.174
  465    HA   ARG  27           HA       ARG  27  16.775  -0.936  -3.253
  466   1HB   ARG  27          1HB       ARG  27  14.336  -0.400  -4.853
  467   2HB   ARG  27          2HB       ARG  27  15.611  -1.322  -5.634
  468   1HG   ARG  27          1HG       ARG  27  15.379  -3.109  -4.234
  469   2HG   ARG  27          2HG       ARG  27  14.747  -2.130  -2.910
  470   1HD   ARG  27          1HD       ARG  27  12.632  -1.900  -4.025
  471   2HD   ARG  27          2HD       ARG  27  13.257  -2.709  -5.459
  472    HE   ARG  27           HE       ARG  27  12.395  -3.945  -2.983
  473   1HH1  ARG  27          1HH1      ARG  27  14.134  -4.367  -6.005
  474   2HH1  ARG  27          2HH1      ARG  27  14.041  -6.103  -5.947
  475   1HH2  ARG  27          1HH2      ARG  27  12.278  -6.214  -2.923
  476   2HH2  ARG  27          2HH2      ARG  27  12.971  -7.152  -4.214
  477    H    HIS  28           H        HIS  28  16.268   2.143  -4.652
  478    HA   HIS  28           HA       HIS  28  18.179   1.830  -6.793
  479   1HB   HIS  28          1HB       HIS  28  16.237   3.415  -6.885
  480   2HB   HIS  28          2HB       HIS  28  17.012   4.357  -5.616
  481    HD1  HIS  28           HD1      HIS  28  18.023   3.088  -9.086
  482    HD2  HIS  28           HD2      HIS  28  18.367   6.421  -6.621
  483    HE1  HIS  28           HE1      HIS  28  19.287   4.832 -10.415
  484    H    LYS  29           H        LYS  29  18.032   3.261  -3.597
  485    HA   LYS  29           HA       LYS  29  20.695   4.308  -3.643
  486   1HB   LYS  29          1HB       LYS  29  18.903   5.350  -2.341
  487   2HB   LYS  29          2HB       LYS  29  18.744   3.896  -1.372
  488   1HG   LYS  29          1HG       LYS  29  20.976   4.228  -0.467
  489   2HG   LYS  29          2HG       LYS  29  21.179   5.667  -1.475
  490   1HD   LYS  29          1HD       LYS  29  19.289   6.728  -0.341
  491   2HD   LYS  29          2HD       LYS  29  19.077   5.288   0.655
  492   1HE   LYS  29          1HE       LYS  29  21.287   5.616   1.620
  493   2HE   LYS  29          2HE       LYS  29  21.534   7.034   0.599
  494   1HZ   LYS  29          1HZ       LYS  29  19.328   7.799   1.729
  495   2HZ   LYS  29          2HZ       LYS  29  19.791   6.709   2.937
  496   3HZ   LYS  29          3HZ       LYS  29  20.810   7.997   2.526
  497    H    CYS  30           H        CYS  30  19.127   1.551  -2.065
  498    HA   CYS  30           HA       CYS  30  21.753   0.256  -1.831
  499   1HB   CYS  30          1HB       CYS  30  19.778   0.564   0.438
  500   2HB   CYS  30          2HB       CYS  30  21.203  -0.465   0.486
  501    H    GLY  31           H        GLY  31  20.377  -0.649  -3.774
  502   1HA   GLY  31          1HA       GLY  31  18.848  -2.964  -2.753
  503   2HA   GLY  31          2HA       GLY  31  18.468  -2.149  -4.262
  504   1HN   NH2  32          1HN       NH2  32  21.750  -2.619  -3.359
  505   2HN   NH2  32          2HN       NH2  32  22.115  -3.860  -4.509
  Start of MODEL   14
    1   1H    ACE   0          1H        ACE   0 -18.862   1.232  -6.112
    2   2H    ACE   0          2H        ACE   0 -18.516  -0.437  -6.574
    3   3H    ACE   0          3H        ACE   0 -17.434   0.416  -5.469
    4    H    GLU   1           H        GLU   1 -19.187  -2.083  -5.275
    5    HA   GLU   1           HA       GLU   1 -21.072  -1.413  -3.189
    6   1HB   GLU   1          1HB       GLU   1 -21.483  -3.217  -4.873
    7   2HB   GLU   1          2HB       GLU   1 -20.178  -4.141  -4.144
    8   1HG   GLU   1          1HG       GLU   1 -22.383  -4.887  -3.386
    9   2HG   GLU   1          2HG       GLU   1 -21.387  -4.284  -2.060
   10    H    VAL   2           H        VAL   2 -21.005  -2.589  -1.082
   11    HA   VAL   2           HA       VAL   2 -18.761  -1.966   0.407
   12    HB   VAL   2           HB       VAL   2 -20.674  -4.203   1.074
   13   1HG1  VAL   2          1HG1      VAL   2 -18.491  -3.644   2.426
   14   2HG1  VAL   2          2HG1      VAL   2 -19.491  -2.344   3.075
   15   3HG1  VAL   2          3HG1      VAL   2 -19.999  -4.023   3.255
   16   1HG2  VAL   2          1HG2      VAL   2 -21.560  -1.783   0.415
   17   2HG2  VAL   2          2HG2      VAL   2 -22.285  -2.735   1.710
   18   3HG2  VAL   2          3HG2      VAL   2 -21.130  -1.459   2.095
   19    H    ALA   3           H        ALA   3 -19.699  -5.181  -0.812
   20    HA   ALA   3           HA       ALA   3 -17.525  -6.628   0.153
   21   1HB   ALA   3          1HB       ALA   3 -19.336  -7.022  -2.203
   22   2HB   ALA   3          2HB       ALA   3 -18.036  -8.157  -1.841
   23   3HB   ALA   3          3HB       ALA   3 -19.318  -7.880  -0.660
   24    H    GLN   4           H        GLN   4 -17.851  -4.755  -2.812
   25    HA   GLN   4           HA       GLN   4 -15.437  -5.582  -4.040
   26   1HB   GLN   4          1HB       GLN   4 -16.887  -2.950  -4.333
   27   2HB   GLN   4          2HB       GLN   4 -15.723  -3.626  -5.466
   28   1HG   GLN   4          1HG       GLN   4 -18.447  -4.724  -4.811
   29   2HG   GLN   4          2HG       GLN   4 -17.960  -3.931  -6.308
   30   1HE2  GLN   4          1HE2      GLN   4 -17.684  -7.837  -6.058
   31   2HE2  GLN   4          2HE2      GLN   4 -18.694  -6.806  -5.092
   32    H    LEU   5           H        LEU   5 -16.294  -2.716  -2.149
   33    HA   LEU   5           HA       LEU   5 -13.771  -1.518  -2.091
   34   1HB   LEU   5          1HB       LEU   5 -16.107  -1.398  -0.205
   35   2HB   LEU   5          2HB       LEU   5 -14.674  -0.407   0.008
   36    HG   LEU   5           HG       LEU   5 -16.432  -0.360  -2.444
   37   1HD1  LEU   5          1HD1      LEU   5 -16.439   1.263   0.077
   38   2HD1  LEU   5          2HD1      LEU   5 -17.000   1.950  -1.446
   39   3HD1  LEU   5          3HD1      LEU   5 -17.797   0.527  -0.774
   40   1HD2  LEU   5          1HD2      LEU   5 -13.827   0.691  -1.865
   41   2HD2  LEU   5          2HD2      LEU   5 -14.762   0.792  -3.357
   42   3HD2  LEU   5          3HD2      LEU   5 -14.967   2.015  -2.107
   43    H    GLU   6           H        GLU   6 -15.248  -3.925   0.042
   44    HA   GLU   6           HA       GLU   6 -13.258  -3.951   2.026
   45   1HB   GLU   6          1HB       GLU   6 -15.208  -6.028   1.051
   46   2HB   GLU   6          2HB       GLU   6 -14.066  -6.378   2.342
   47   1HG   GLU   6          1HG       GLU   6 -15.955  -4.049   2.451
   48   2HG   GLU   6          2HG       GLU   6 -16.390  -5.656   3.030
   49    H    LYS   7           H        LYS   7 -13.539  -5.693  -1.043
   50    HA   LYS   7           HA       LYS   7 -11.181  -7.248  -0.636
   51   1HB   LYS   7          1HB       LYS   7 -12.783  -6.603  -3.113
   52   2HB   LYS   7          2HB       LYS   7 -11.343  -7.614  -3.149
   53   1HG   LYS   7          1HG       LYS   7 -12.430  -9.125  -1.505
   54   2HG   LYS   7          2HG       LYS   7 -13.895  -8.153  -1.648
   55   1HD   LYS   7          1HD       LYS   7 -12.542  -9.514  -3.971
   56   2HD   LYS   7          2HD       LYS   7 -13.864 -10.229  -3.049
   57   1HE   LYS   7          1HE       LYS   7 -15.290  -8.313  -3.651
   58   2HE   LYS   7          2HE       LYS   7 -13.965  -7.645  -4.607
   59   1HZ   LYS   7          1HZ       LYS   7 -14.358 -10.294  -5.409
   60   2HZ   LYS   7          2HZ       LYS   7 -15.880  -9.549  -5.371
   61   3HZ   LYS   7          3HZ       LYS   7 -14.634  -8.877  -6.305
   62    H    GLU   8           H        GLU   8 -11.855  -4.075  -1.866
   63    HA   GLU   8           HA       GLU   8  -9.319  -3.653  -3.120
   64   1HB   GLU   8          1HB       GLU   8 -11.365  -2.376  -3.699
   65   2HB   GLU   8          2HB       GLU   8 -11.353  -1.658  -2.096
   66   1HG   GLU   8          1HG       GLU   8 -10.467  -0.076  -3.579
   67   2HG   GLU   8          2HG       GLU   8  -9.116  -0.695  -2.634
   68    H    VAL   9           H        VAL   9 -10.752  -2.966   0.033
   69    HA   VAL   9           HA       VAL   9  -8.593  -1.514   1.128
   70    HB   VAL   9           HB       VAL   9 -10.768  -3.160   2.445
   71   1HG1  VAL   9          1HG1      VAL   9  -8.403  -2.642   3.672
   72   2HG1  VAL   9          2HG1      VAL   9  -9.321  -1.197   4.095
   73   3HG1  VAL   9          3HG1      VAL   9  -9.946  -2.793   4.514
   74   1HG2  VAL   9          1HG2      VAL   9 -10.516  -0.404   1.525
   75   2HG2  VAL   9          2HG2      VAL   9 -11.958  -1.348   1.902
   76   3HG2  VAL   9          3HG2      VAL   9 -11.069  -0.538   3.193
   77    H    ALA  10           H        ALA  10  -9.441  -4.942   1.120
   78    HA   ALA  10           HA       ALA  10  -7.247  -5.832   2.669
   79   1HB   ALA  10          1HB       ALA  10  -9.415  -7.078   2.080
   80   2HB   ALA  10          2HB       ALA  10  -8.594  -7.507   0.578
   81   3HB   ALA  10          3HB       ALA  10  -7.913  -8.004   2.127
   82    H    GLN  11           H        GLN  11  -7.674  -5.089  -0.698
   83    HA   GLN  11           HA       GLN  11  -5.389  -6.365  -1.760
   84   1HB   GLN  11          1HB       GLN  11  -7.342  -5.422  -3.060
   85   2HB   GLN  11          2HB       GLN  11  -6.716  -3.822  -2.721
   86   1HG   GLN  11          1HG       GLN  11  -6.049  -4.418  -4.917
   87   2HG   GLN  11          2HG       GLN  11  -4.620  -4.444  -3.883
   88   1HE2  GLN  11          1HE2      GLN  11  -5.559  -7.631  -6.033
   89   2HE2  GLN  11          2HE2      GLN  11  -6.256  -6.055  -6.236
   90    H    ALA  12           H        ALA  12  -6.057  -3.092  -0.666
   91    HA   ALA  12           HA       ALA  12  -3.459  -2.076  -1.057
   92   1HB   ALA  12          1HB       ALA  12  -5.925  -1.157   0.233
   93   2HB   ALA  12          2HB       ALA  12  -4.430  -0.453   0.850
   94   3HB   ALA  12          3HB       ALA  12  -4.827  -0.315  -0.862
   95    H    GLU  13           H        GLU  13  -5.101  -3.396   1.788
   96    HA   GLU  13           HA       GLU  13  -3.043  -2.963   3.638
   97   1HB   GLU  13          1HB       GLU  13  -5.292  -4.942   3.474
   98   2HB   GLU  13          2HB       GLU  13  -4.116  -5.037   4.776
   99   1HG   GLU  13          1HG       GLU  13  -5.747  -2.594   4.149
  100   2HG   GLU  13          2HG       GLU  13  -6.219  -3.823   5.319
  101    H    ALA  14           H        ALA  14  -3.623  -5.608   1.364
  102    HA   ALA  14           HA       ALA  14  -1.594  -7.335   2.292
  103   1HB   ALA  14          1HB       ALA  14  -3.442  -7.282   0.134
  104   2HB   ALA  14          2HB       ALA  14  -1.842  -7.630  -0.519
  105   3HB   ALA  14          3HB       ALA  14  -2.514  -8.646   0.754
  106    H    GLU  15           H        GLU  15  -1.578  -4.817  -0.233
  107    HA   GLU  15           HA       GLU  15   1.150  -5.166  -0.928
  108   1HB   GLU  15          1HB       GLU  15  -0.741  -2.848  -1.239
  109   2HB   GLU  15          2HB       GLU  15   0.939  -2.747  -1.737
  110   1HG   GLU  15          1HG       GLU  15   0.546  -4.679  -3.237
  111   2HG   GLU  15          2HG       GLU  15  -1.160  -4.597  -2.808
  112    H    ASN  16           H        ASN  16  -0.536  -2.873   1.171
  113    HA   ASN  16           HA       ASN  16   1.571  -1.349   2.077
  114   1HB   ASN  16          1HB       ASN  16  -0.984  -1.206   2.545
  115   2HB   ASN  16          2HB       ASN  16  -0.636  -2.243   3.923
  116   1HD2  ASN  16          1HD2      ASN  16  -0.217   1.645   4.267
  117   2HD2  ASN  16          2HD2      ASN  16  -1.119   0.830   3.037
  118    H    TYR  17           H        TYR  17   0.368  -4.416   3.339
  119    HA   TYR  17           HA       TYR  17   2.019  -4.737   5.557
  120   1HB   TYR  17          1HB       TYR  17   0.131  -6.191   5.153
  121   2HB   TYR  17          2HB       TYR  17   0.825  -6.749   3.639
  122    HD1  TYR  17           HD1      TYR  17   1.928  -6.558   7.221
  123    HD2  TYR  17           HD2      TYR  17   1.607  -8.894   3.680
  124    HE1  TYR  17           HE1      TYR  17   2.925  -8.471   8.397
  125    HE2  TYR  17           HE2      TYR  17   2.605 -10.810   4.847
  126    HH   TYR  17           HH       TYR  17   2.657 -11.349   7.765
  127    H    GLN  18           H        GLN  18   2.523  -5.589   2.181
  128    HA   GLN  18           HA       GLN  18   5.090  -6.776   2.605
  129   1HB   GLN  18          1HB       GLN  18   3.751  -5.842   0.062
  130   2HB   GLN  18          2HB       GLN  18   5.204  -6.829   0.141
  131   1HG   GLN  18          1HG       GLN  18   3.989  -8.644   1.120
  132   2HG   GLN  18          2HG       GLN  18   2.542  -7.651   1.272
  133   1HE2  GLN  18          1HE2      GLN  18   1.366  -8.411  -1.866
  134   2HE2  GLN  18          2HE2      GLN  18   1.108  -7.783  -0.272
  135    H    LEU  19           H        LEU  19   3.919  -3.609   1.598
  136    HA   LEU  19           HA       LEU  19   6.393  -2.540   0.755
  137   1HB   LEU  19          1HB       LEU  19   4.138  -0.972   1.994
  138   2HB   LEU  19          2HB       LEU  19   5.368  -0.380   0.899
  139    HG   LEU  19           HG       LEU  19   3.035  -2.168   0.253
  140   1HD1  LEU  19          1HD1      LEU  19   3.538   0.635   0.106
  141   2HD1  LEU  19          2HD1      LEU  19   3.312  -0.008  -1.521
  142   3HD1  LEU  19          3HD1      LEU  19   2.070  -0.256  -0.294
  143   1HD2  LEU  19          1HD2      LEU  19   5.601  -1.905  -1.126
  144   2HD2  LEU  19          2HD2      LEU  19   4.357  -3.146  -1.261
  145   3HD2  LEU  19          3HD2      LEU  19   4.190  -1.630  -2.147
  146    H    GLU  20           H        GLU  20   4.666  -2.205   3.857
  147    HA   GLU  20           HA       GLU  20   6.677  -0.743   5.163
  148   1HB   GLU  20          1HB       GLU  20   4.616  -2.624   6.326
  149   2HB   GLU  20          2HB       GLU  20   5.578  -1.484   7.256
  150   1HG   GLU  20          1HG       GLU  20   3.557  -0.804   5.135
  151   2HG   GLU  20          2HG       GLU  20   3.360  -0.612   6.876
  152    H    GLN  21           H        GLN  21   6.136  -4.182   4.786
  153    HA   GLN  21           HA       GLN  21   8.139  -5.071   6.576
  154   1HB   GLN  21          1HB       GLN  21   6.408  -6.577   5.925
  155   2HB   GLN  21          2HB       GLN  21   6.753  -6.345   4.219
  156   1HG   GLN  21          1HG       GLN  21   8.853  -7.524   4.465
  157   2HG   GLN  21          2HG       GLN  21   8.564  -7.711   6.195
  158   1HE2  GLN  21          1HE2      GLN  21   6.910 -10.219   3.522
  159   2HE2  GLN  21          2HE2      GLN  21   7.956  -8.915   3.070
  160    H    GLU  22           H        GLU  22   8.108  -4.424   3.095
  161    HA   GLU  22           HA       GLU  22  10.766  -5.238   2.571
  162   1HB   GLU  22          1HB       GLU  22   8.837  -4.805   0.922
  163   2HB   GLU  22          2HB       GLU  22   9.265  -3.106   1.056
  164   1HG   GLU  22          1HG       GLU  22  10.264  -4.091  -0.903
  165   2HG   GLU  22          2HG       GLU  22  11.512  -3.609   0.247
  166    H    VAL  23           H        VAL  23   9.274  -2.146   3.395
  167    HA   VAL  23           HA       VAL  23  11.564  -0.532   3.165
  168    HB   VAL  23           HB       VAL  23   9.024  -0.241   4.759
  169   1HG1  VAL  23          1HG1      VAL  23  11.509   1.153   5.208
  170   2HG1  VAL  23          2HG1      VAL  23  10.259   2.266   4.661
  171   3HG1  VAL  23          3HG1      VAL  23   9.983   1.266   6.088
  172   1HG2  VAL  23          1HG2      VAL  23   9.370   0.045   2.154
  173   2HG2  VAL  23          2HG2      VAL  23   8.305   1.116   3.069
  174   3HG2  VAL  23          3HG2      VAL  23   9.938   1.642   2.648
  175    H    ALA  24           H        ALA  24  10.244  -2.388   5.886
  176    HA   ALA  24           HA       ALA  24  12.021  -1.519   7.867
  177   1HB   ALA  24          1HB       ALA  24   9.926  -3.055   8.042
  178   2HB   ALA  24          2HB       ALA  24  11.081  -4.360   7.775
  179   3HB   ALA  24          3HB       ALA  24  11.267  -3.290   9.165
  180    H    GLN  25           H        GLN  25  12.226  -4.239   5.601
  181    HA   GLN  25           HA       GLN  25  14.703  -5.260   6.432
  182   1HB   GLN  25          1HB       GLN  25  13.160  -6.458   4.937
  183   2HB   GLN  25          2HB       GLN  25  13.459  -5.274   3.674
  184   1HG   GLN  25          1HG       GLN  25  15.824  -5.953   3.637
  185   2HG   GLN  25          2HG       GLN  25  15.468  -7.185   4.846
  186   1HE2  GLN  25          1HE2      GLN  25  13.162  -8.125   1.747
  187   2HE2  GLN  25          2HE2      GLN  25  12.840  -6.840   2.853
  188    H    LEU  26           H        LEU  26  13.934  -2.935   3.843
  189    HA   LEU  26           HA       LEU  26  16.581  -2.517   3.038
  190   1HB   LEU  26          1HB       LEU  26  14.206  -0.670   2.835
  191   2HB   LEU  26          2HB       LEU  26  15.739  -0.421   2.016
  192    HG   LEU  26           HG       LEU  26  13.894  -2.774   1.591
  193   1HD1  LEU  26          1HD1      LEU  26  13.196  -0.508   0.672
  194   2HD1  LEU  26          2HD1      LEU  26  14.600  -0.631  -0.388
  195   3HD1  LEU  26          3HD1      LEU  26  13.318  -1.840  -0.481
  196   1HD2  LEU  26          1HD2      LEU  26  16.498  -2.977   1.371
  197   2HD2  LEU  26          2HD2      LEU  26  15.430  -3.680   0.157
  198   3HD2  LEU  26          3HD2      LEU  26  16.219  -2.133  -0.152
  199    H    GLU  27           H        GLU  27  14.601  -0.602   5.326
  200    HA   GLU  27           HA       GLU  27  16.559   1.302   5.968
  201   1HB   GLU  27          1HB       GLU  27  14.252   0.166   7.542
  202   2HB   GLU  27          2HB       GLU  27  15.321   1.382   8.227
  203   1HG   GLU  27          1HG       GLU  27  13.874   1.784   5.632
  204   2HG   GLU  27          2HG       GLU  27  13.168   2.200   7.192
  205    H    HIS  28           H        HIS  28  15.925  -1.897   7.235
  206    HA   HIS  28           HA       HIS  28  17.791  -1.862   9.347
  207   1HB   HIS  28          1HB       HIS  28  16.041  -3.484   9.352
  208   2HB   HIS  28          2HB       HIS  28  16.490  -4.075   7.761
  209    HD1  HIS  28           HD1      HIS  28  18.511  -3.765  11.010
  210    HD2  HIS  28           HD2      HIS  28  17.394  -6.526   8.110
  211    HE1  HIS  28           HE1      HIS  28  19.650  -5.942  11.623
  212    H    GLU  29           H        GLU  29  18.041  -2.745   5.940
  213    HA   GLU  29           HA       GLU  29  20.750  -3.690   6.139
  214   1HB   GLU  29          1HB       GLU  29  19.046  -3.006   3.730
  215   2HB   GLU  29          2HB       GLU  29  20.625  -3.776   3.647
  216   1HG   GLU  29          1HG       GLU  29  18.223  -4.938   5.056
  217   2HG   GLU  29          2HG       GLU  29  18.720  -5.336   3.409
  218    H    CYS  30           H        CYS  30  19.170  -0.680   5.483
  219    HA   CYS  30           HA       CYS  30  21.341   0.667   4.258
  220   1HB   CYS  30          1HB       CYS  30  18.895   1.681   5.721
  221   2HB   CYS  30          2HB       CYS  30  20.066   2.752   4.966
  222    H    GLY  31           H        GLY  31  20.505  -0.047   7.558
  223   1HA   GLY  31          1HA       GLY  31  22.110   1.940   8.803
  224   2HA   GLY  31          2HA       GLY  31  21.480   0.487   9.566
  225   1HN   NH2  32          1HN       NH2  32  22.613  -1.568   8.784
  226   2HN   NH2  32          2HN       NH2  32  24.341  -1.494   8.689
  227   1H    ACE   0          1H        ACE   0 -19.344  -1.897   7.343
  228   2H    ACE   0          2H        ACE   0 -19.106  -2.651   5.764
  229   3H    ACE   0          3H        ACE   0 -20.652  -2.823   6.601
  230    H    GLU   1           H        GLU   1 -18.986   0.217   6.715
  231    HA   GLU   1           HA       GLU   1 -21.161   1.420   5.204
  232   1HB   GLU   1          1HB       GLU   1 -20.479   2.371   7.393
  233   2HB   GLU   1          2HB       GLU   1 -18.914   2.769   6.698
  234   1HG   GLU   1          1HG       GLU   1 -19.941   4.285   5.135
  235   2HG   GLU   1          2HG       GLU   1 -21.547   3.824   5.696
  236    H    VAL   2           H        VAL   2 -20.997   1.944   3.168
  237    HA   VAL   2           HA       VAL   2 -18.795   1.387   1.561
  238    HB   VAL   2           HB       VAL   2 -21.124   3.243   1.036
  239   1HG1  VAL   2          1HG1      VAL   2 -19.186   3.782  -0.401
  240   2HG1  VAL   2          2HG1      VAL   2 -19.168   2.107  -0.962
  241   3HG1  VAL   2          3HG1      VAL   2 -20.555   3.141  -1.309
  242   1HG2  VAL   2          1HG2      VAL   2 -20.586   0.374   0.271
  243   2HG2  VAL   2          2HG2      VAL   2 -21.803   0.961   1.406
  244   3HG2  VAL   2          3HG2      VAL   2 -21.947   1.334  -0.312
  245    H    GLN   3           H        GLN   3 -19.976   4.582   2.638
  246    HA   GLN   3           HA       GLN   3 -17.916   6.111   1.528
  247   1HB   GLN   3          1HB       GLN   3 -20.025   7.020   2.497
  248   2HB   GLN   3          2HB       GLN   3 -19.405   6.669   4.105
  249   1HG   GLN   3          1HG       GLN   3 -17.556   8.218   3.735
  250   2HG   GLN   3          2HG       GLN   3 -18.167   8.561   2.118
  251   1HE2  GLN   3          1HE2      GLN   3 -20.181  11.116   3.234
  252   2HE2  GLN   3          2HE2      GLN   3 -19.235  10.388   1.985
  253    H    ALA   4           H        ALA   4 -18.104   4.367   4.562
  254    HA   ALA   4           HA       ALA   4 -15.774   5.350   5.781
  255   1HB   ALA   4          1HB       ALA   4 -17.783   3.677   6.529
  256   2HB   ALA   4          2HB       ALA   4 -16.450   2.541   6.325
  257   3HB   ALA   4          3HB       ALA   4 -16.286   3.906   7.433
  258    H    LEU   5           H        LEU   5 -16.334   2.450   3.818
  259    HA   LEU   5           HA       LEU   5 -13.667   1.531   3.877
  260   1HB   LEU   5          1HB       LEU   5 -15.811   1.023   1.804
  261   2HB   LEU   5          2HB       LEU   5 -14.340   0.090   2.002
  262    HG   LEU   5           HG       LEU   5 -16.558   0.302   4.039
  263   1HD1  LEU   5          1HD1      LEU   5 -16.046  -1.518   1.786
  264   2HD1  LEU   5          2HD1      LEU   5 -16.450  -2.294   3.316
  265   3HD1  LEU   5          3HD1      LEU   5 -17.553  -1.116   2.607
  266   1HD2  LEU   5          1HD2      LEU   5 -13.869  -0.972   4.047
  267   2HD2  LEU   5          2HD2      LEU   5 -14.740  -0.165   5.352
  268   3HD2  LEU   5          3HD2      LEU   5 -15.198  -1.796   4.861
  269    H    LYS   6           H        LYS   6 -15.379   3.731   1.705
  270    HA   LYS   6           HA       LYS   6 -13.463   3.832  -0.337
  271   1HB   LYS   6          1HB       LYS   6 -15.357   5.962   0.666
  272   2HB   LYS   6          2HB       LYS   6 -14.424   6.093  -0.819
  273   1HG   LYS   6          1HG       LYS   6 -15.556   4.120  -1.705
  274   2HG   LYS   6          2HG       LYS   6 -16.491   3.993  -0.214
  275   1HD   LYS   6          1HD       LYS   6 -17.789   5.071  -1.949
  276   2HD   LYS   6          2HD       LYS   6 -17.453   6.204  -0.640
  277   1HE   LYS   6          1HE       LYS   6 -15.632   7.178  -1.938
  278   2HE   LYS   6          2HE       LYS   6 -15.927   6.023  -3.235
  279   1HZ   LYS   6          1HZ       LYS   6 -18.132   7.735  -2.347
  280   2HZ   LYS   6          2HZ       LYS   6 -16.920   8.412  -3.321
  281   3HZ   LYS   6          3HZ       LYS   6 -17.817   7.087  -3.883
  282    H    LYS   7           H        LYS   7 -13.784   5.735   2.635
  283    HA   LYS   7           HA       LYS   7 -11.489   7.334   2.149
  284   1HB   LYS   7          1HB       LYS   7 -13.245   6.817   4.502
  285   2HB   LYS   7          2HB       LYS   7 -11.664   7.527   4.798
  286   1HG   LYS   7          1HG       LYS   7 -13.317   9.262   4.596
  287   2HG   LYS   7          2HG       LYS   7 -12.202   9.341   3.232
  288   1HD   LYS   7          1HD       LYS   7 -13.907   7.993   1.932
  289   2HD   LYS   7          2HD       LYS   7 -15.023   8.293   3.266
  290   1HE   LYS   7          1HE       LYS   7 -13.658  10.391   1.579
  291   2HE   LYS   7          2HE       LYS   7 -15.352   9.912   1.469
  292   1HZ   LYS   7          1HZ       LYS   7 -15.266  10.546   4.014
  293   2HZ   LYS   7          2HZ       LYS   7 -14.002  11.547   3.480
  294   3HZ   LYS   7          3HZ       LYS   7 -15.554  11.708   2.813
  295    H    ARG   8           H        ARG   8 -12.045   4.204   3.575
  296    HA   ARG   8           HA       ARG   8  -9.523   3.863   4.821
  297   1HB   ARG   8          1HB       ARG   8 -11.512   2.408   5.235
  298   2HB   ARG   8          2HB       ARG   8 -11.325   1.746   3.617
  299   1HG   ARG   8          1HG       ARG   8 -10.371   0.233   5.222
  300   2HG   ARG   8          2HG       ARG   8  -9.082   0.935   4.238
  301   1HD   ARG   8          1HD       ARG   8  -8.914   2.689   6.113
  302   2HD   ARG   8          2HD       ARG   8  -9.833   1.526   7.068
  303    HE   ARG   8           HE       ARG   8  -7.878  -0.035   6.259
  304   1HH1  ARG   8          1HH1      ARG   8  -7.747   3.264   7.426
  305   2HH1  ARG   8          2HH1      ARG   8  -6.107   3.135   7.983
  306   1HH2  ARG   8          1HH2      ARG   8  -5.703  -0.208   7.004
  307   2HH2  ARG   8          2HH2      ARG   8  -4.950   1.179   7.741
  308    H    VAL   9           H        VAL   9 -10.814   3.088   1.637
  309    HA   VAL   9           HA       VAL   9  -8.576   1.837   0.529
  310    HB   VAL   9           HB       VAL   9 -10.770   3.461  -0.773
  311   1HG1  VAL   9          1HG1      VAL   9  -8.384   2.178  -1.961
  312   2HG1  VAL   9          2HG1      VAL   9  -9.921   1.951  -2.799
  313   3HG1  VAL   9          3HG1      VAL   9  -9.307   3.579  -2.500
  314   1HG2  VAL   9          1HG2      VAL   9 -10.409   0.625  -0.026
  315   2HG2  VAL   9          2HG2      VAL   9 -11.872   1.609  -0.095
  316   3HG2  VAL   9          3HG2      VAL   9 -11.187   0.945  -1.577
  317    H    GLN  10           H        GLN  10  -9.589   5.242   0.413
  318    HA   GLN  10           HA       GLN  10  -7.396   6.173  -1.071
  319   1HB   GLN  10          1HB       GLN  10  -9.136   7.651   0.903
  320   2HB   GLN  10          2HB       GLN  10  -8.030   8.409  -0.234
  321   1HG   GLN  10          1HG       GLN  10 -10.406   6.715  -0.966
  322   2HG   GLN  10          2HG       GLN  10 -10.347   8.475  -1.002
  323   1HE2  GLN  10          1HE2      GLN  10  -9.052   8.615  -4.190
  324   2HE2  GLN  10          2HE2      GLN  10  -9.849   9.382  -2.857
  325    H    ALA  11           H        ALA  11  -7.858   5.857   2.433
  326    HA   ALA  11           HA       ALA  11  -5.507   7.219   3.205
  327   1HB   ALA  11          1HB       ALA  11  -7.469   6.530   4.672
  328   2HB   ALA  11          2HB       ALA  11  -6.725   4.931   4.731
  329   3HB   ALA  11          3HB       ALA  11  -5.856   6.332   5.357
  330    H    LEU  12           H        LEU  12  -6.176   3.823   2.531
  331    HA   LEU  12           HA       LEU  12  -3.591   2.857   3.137
  332   1HB   LEU  12          1HB       LEU  12  -5.869   1.789   1.507
  333   2HB   LEU  12          2HB       LEU  12  -4.343   0.938   1.606
  334    HG   LEU  12           HG       LEU  12  -5.932   1.684   4.049
  335   1HD1  LEU  12          1HD1      LEU  12  -6.197  -0.649   2.206
  336   2HD1  LEU  12          2HD1      LEU  12  -6.443  -0.876   3.937
  337   3HD1  LEU  12          3HD1      LEU  12  -7.447   0.267   3.047
  338   1HD2  LEU  12          1HD2      LEU  12  -3.370   0.500   3.546
  339   2HD2  LEU  12          2HD2      LEU  12  -4.121   0.913   5.087
  340   3HD2  LEU  12          3HD2      LEU  12  -4.416  -0.664   4.359
  341    H    LYS  13           H        LYS  13  -5.165   3.577   0.020
  342    HA   LYS  13           HA       LYS  13  -2.981   3.019  -1.621
  343   1HB   LYS  13          1HB       LYS  13  -5.417   4.721  -1.897
  344   2HB   LYS  13          2HB       LYS  13  -4.149   4.888  -3.100
  345   1HG   LYS  13          1HG       LYS  13  -6.000   3.296  -3.686
  346   2HG   LYS  13          2HG       LYS  13  -4.371   2.634  -3.791
  347   1HD   LYS  13          1HD       LYS  13  -4.634   1.383  -1.817
  348   2HD   LYS  13          2HD       LYS  13  -6.056   2.300  -1.327
  349   1HE   LYS  13          1HE       LYS  13  -6.715   0.105  -2.101
  350   2HE   LYS  13          2HE       LYS  13  -7.311   1.340  -3.206
  351   1HZ   LYS  13          1HZ       LYS  13  -5.479   0.830  -4.700
  352   2HZ   LYS  13          2HZ       LYS  13  -4.917  -0.371  -3.638
  353   3HZ   LYS  13          3HZ       LYS  13  -6.425  -0.545  -4.397
  354    H    ALA  14           H        ALA  14  -3.740   5.916   0.223
  355    HA   ALA  14           HA       ALA  14  -1.791   7.599  -0.968
  356   1HB   ALA  14          1HB       ALA  14  -3.614   7.721   1.281
  357   2HB   ALA  14          2HB       ALA  14  -2.057   8.453   1.664
  358   3HB   ALA  14          3HB       ALA  14  -2.980   9.023   0.274
  359    H    ARG  15           H        ARG  15  -1.765   5.501   1.895
  360    HA   ARG  15           HA       ARG  15   0.951   6.053   2.588
  361   1HB   ARG  15          1HB       ARG  15  -0.550   5.207   4.285
  362   2HB   ARG  15          2HB       ARG  15  -0.905   3.778   3.328
  363   1HG   ARG  15          1HG       ARG  15   0.564   3.069   5.021
  364   2HG   ARG  15          2HG       ARG  15   1.538   3.172   3.555
  365   1HD   ARG  15          1HD       ARG  15   2.339   5.386   4.279
  366   2HD   ARG  15          2HD       ARG  15   1.415   5.210   5.770
  367    HE   ARG  15           HE       ARG  15   3.248   3.034   5.303
  368   1HH1  ARG  15          1HH1      ARG  15   2.888   6.254   6.654
  369   2HH1  ARG  15          2HH1      ARG  15   4.304   6.119   7.660
  370   1HH2  ARG  15          1HH2      ARG  15   5.084   2.850   6.675
  371   2HH2  ARG  15          2HH2      ARG  15   5.525   4.205   7.681
  372    H    ASN  16           H        ASN  16  -0.688   3.625   0.659
  373    HA   ASN  16           HA       ASN  16   1.484   1.904   0.213
  374   1HB   ASN  16          1HB       ASN  16  -1.124   2.443  -1.166
  375   2HB   ASN  16          2HB       ASN  16   0.056   1.396  -1.933
  376   1HD2  ASN  16          1HD2      ASN  16  -1.118  -1.322  -0.176
  377   2HD2  ASN  16          2HD2      ASN  16  -0.548  -0.631  -1.651
  378    H    TYR  17           H        TYR  17   0.306   4.764  -1.443
  379    HA   TYR  17           HA       TYR  17   1.971   4.693  -3.694
  380   1HB   TYR  17          1HB       TYR  17   0.035   6.197  -3.455
  381   2HB   TYR  17          2HB       TYR  17   0.877   7.083  -2.195
  382    HD1  TYR  17           HD1      TYR  17   1.626   5.961  -5.699
  383    HD2  TYR  17           HD2      TYR  17   1.753   9.100  -2.826
  384    HE1  TYR  17           HE1      TYR  17   2.642   7.451  -7.374
  385    HE2  TYR  17           HE2      TYR  17   2.765  10.594  -4.491
  386    HH   TYR  17           HH       TYR  17   3.101  10.872  -6.752
  387    H    ALA  18           H        ALA  18   2.343   6.459  -0.636
  388    HA   ALA  18           HA       ALA  18   4.917   7.459  -1.153
  389   1HB   ALA  18          1HB       ALA  18   3.045   7.744   0.856
  390   2HB   ALA  18          2HB       ALA  18   4.416   6.985   1.664
  391   3HB   ALA  18          3HB       ALA  18   4.636   8.502   0.792
  392    H    ALA  19           H        ALA  19   3.832   4.496   0.448
  393    HA   ALA  19           HA       ALA  19   6.363   3.648   1.350
  394   1HB   ALA  19          1HB       ALA  19   3.712   2.667   1.400
  395   2HB   ALA  19          2HB       ALA  19   4.738   1.389   0.757
  396   3HB   ALA  19          3HB       ALA  19   5.105   2.107   2.324
  397    H    LYS  20           H        LYS  20   4.600   3.056  -1.680
  398    HA   LYS  20           HA       LYS  20   6.397   1.195  -2.784
  399   1HB   LYS  20          1HB       LYS  20   4.463   3.137  -4.032
  400   2HB   LYS  20          2HB       LYS  20   5.489   2.106  -5.020
  401   1HG   LYS  20          1HG       LYS  20   4.482   0.130  -4.154
  402   2HG   LYS  20          2HG       LYS  20   3.631   1.045  -2.909
  403   1HD   LYS  20          1HD       LYS  20   2.351   2.201  -4.664
  404   2HD   LYS  20          2HD       LYS  20   3.172   1.228  -5.886
  405   1HE   LYS  20          1HE       LYS  20   1.616  -0.003  -3.631
  406   2HE   LYS  20          2HE       LYS  20   0.855   0.466  -5.148
  407   1HZ   LYS  20          1HZ       LYS  20   2.494  -0.986  -6.290
  408   2HZ   LYS  20          2HZ       LYS  20   3.012  -1.543  -4.773
  409   3HZ   LYS  20          3HZ       LYS  20   1.418  -1.822  -5.279
  410    H    GLN  21           H        GLN  21   6.422   4.707  -2.682
  411    HA   GLN  21           HA       GLN  21   8.661   4.966  -4.471
  412   1HB   GLN  21          1HB       GLN  21   7.804   7.013  -2.419
  413   2HB   GLN  21          2HB       GLN  21   8.676   7.288  -3.918
  414   1HG   GLN  21          1HG       GLN  21   5.772   6.654  -3.541
  415   2HG   GLN  21          2HG       GLN  21   6.503   8.079  -4.274
  416   1HE2  GLN  21          1HE2      GLN  21   5.344   5.093  -6.568
  417   2HE2  GLN  21          2HE2      GLN  21   4.839   5.396  -4.936
  418    H    LYS  22           H        LYS  22   8.116   4.838  -1.006
  419    HA   LYS  22           HA       LYS  22  10.701   5.425  -0.114
  420   1HB   LYS  22          1HB       LYS  22   8.257   4.371   1.004
  421   2HB   LYS  22          2HB       LYS  22   9.640   3.489   1.635
  422   1HG   LYS  22          1HG       LYS  22   9.287   6.477   1.713
  423   2HG   LYS  22          2HG       LYS  22   9.022   5.368   3.059
  424   1HD   LYS  22          1HD       LYS  22  11.398   4.651   2.859
  425   2HD   LYS  22          2HD       LYS  22  11.628   5.904   1.638
  426   1HE   LYS  22          1HE       LYS  22  10.757   6.353   4.486
  427   2HE   LYS  22          2HE       LYS  22  12.379   6.627   3.858
  428   1HZ   LYS  22          1HZ       LYS  22  10.304   7.988   2.385
  429   2HZ   LYS  22          2HZ       LYS  22  10.438   8.488   4.000
  430   3HZ   LYS  22          3HZ       LYS  22  11.786   8.571   2.973
  431    H    VAL  23           H        VAL  23   9.196   2.306  -0.906
  432    HA   VAL  23           HA       VAL  23  11.355   0.653  -0.270
  433    HB   VAL  23           HB       VAL  23   9.338   0.257  -2.496
  434   1HG1  VAL  23          1HG1      VAL  23  11.118  -1.722  -1.083
  435   2HG1  VAL  23          2HG1      VAL  23   9.840  -2.136  -2.224
  436   3HG1  VAL  23          3HG1      VAL  23  11.239  -1.210  -2.765
  437   1HG2  VAL  23          1HG2      VAL  23   9.243  -0.330   0.443
  438   2HG2  VAL  23          2HG2      VAL  23   8.034   0.444  -0.584
  439   3HG2  VAL  23          3HG2      VAL  23   8.311  -1.294  -0.705
  440    H    GLN  24           H        GLN  24  10.520   2.199  -3.365
  441    HA   GLN  24           HA       GLN  24  12.777   1.197  -4.755
  442   1HB   GLN  24          1HB       GLN  24  11.089   3.632  -5.362
  443   2HB   GLN  24          2HB       GLN  24  12.205   2.851  -6.477
  444   1HG   GLN  24          1HG       GLN  24  10.856   0.809  -6.375
  445   2HG   GLN  24          2HG       GLN  24   9.729   1.619  -5.290
  446   1HE2  GLN  24          1HE2      GLN  24   7.892   3.005  -7.847
  447   2HE2  GLN  24          2HE2      GLN  24   8.044   2.557  -6.182
  448    H    ALA  25           H        ALA  25  12.194   4.122  -2.890
  449    HA   ALA  25           HA       ALA  25  14.575   5.474  -3.640
  450   1HB   ALA  25          1HB       ALA  25  12.350   6.011  -1.991
  451   2HB   ALA  25          2HB       ALA  25  13.790   6.201  -0.992
  452   3HB   ALA  25          3HB       ALA  25  13.628   7.120  -2.489
  453    H    LEU  26           H        LEU  26  13.728   3.405  -0.892
  454    HA   LEU  26           HA       LEU  26  16.206   3.543   0.430
  455   1HB   LEU  26          1HB       LEU  26  14.105   1.378   0.394
  456   2HB   LEU  26          2HB       LEU  26  15.482   1.383   1.476
  457    HG   LEU  26           HG       LEU  26  13.384   3.547   1.419
  458   1HD1  LEU  26          1HD1      LEU  26  13.526   0.954   2.847
  459   2HD1  LEU  26          2HD1      LEU  26  12.951   2.358   3.747
  460   3HD1  LEU  26          3HD1      LEU  26  12.125   1.859   2.271
  461   1HD2  LEU  26          1HD2      LEU  26  15.811   3.897   2.298
  462   2HD2  LEU  26          2HD2      LEU  26  14.435   4.477   3.235
  463   3HD2  LEU  26          3HD2      LEU  26  15.237   2.965   3.680
  464    H    ARG  27           H        ARG  27  14.922   1.275  -1.989
  465    HA   ARG  27           HA       ARG  27  17.183  -0.404  -2.037
  466   1HB   ARG  27          1HB       ARG  27  14.885   0.083  -3.896
  467   2HB   ARG  27          2HB       ARG  27  16.237  -0.898  -4.441
  468   1HG   ARG  27          1HG       ARG  27  15.853  -2.533  -2.804
  469   2HG   ARG  27          2HG       ARG  27  14.789  -1.472  -1.880
  470   1HD   ARG  27          1HD       ARG  27  13.064  -1.645  -3.474
  471   2HD   ARG  27          2HD       ARG  27  14.145  -2.341  -4.670
  472    HE   ARG  27           HE       ARG  27  14.092  -4.058  -2.463
  473   1HH1  ARG  27          1HH1      ARG  27  11.948  -2.936  -5.003
  474   2HH1  ARG  27          2HH1      ARG  27  10.978  -4.374  -4.990
  475   1HH2  ARG  27          1HH2      ARG  27  12.828  -5.976  -2.493
  476   2HH2  ARG  27          2HH2      ARG  27  11.462  -6.078  -3.566
  477    H    HIS  28           H        HIS  28  16.502   2.634  -3.526
  478    HA   HIS  28           HA       HIS  28  18.611   2.488  -5.473
  479   1HB   HIS  28          1HB       HIS  28  16.563   3.868  -5.780
  480   2HB   HIS  28          2HB       HIS  28  17.076   4.867  -4.422
  481    HD1  HIS  28           HD1      HIS  28  18.610   3.791  -7.767
  482    HD2  HIS  28           HD2      HIS  28  18.287   7.091  -5.258
  483    HE1  HIS  28           HE1      HIS  28  19.797   5.697  -8.935
  484    H    LYS  29           H        LYS  29  18.069   4.040  -2.369
  485    HA   LYS  29           HA       LYS  29  20.570   5.357  -2.241
  486   1HB   LYS  29          1HB       LYS  29  18.595   6.098  -0.993
  487   2HB   LYS  29          2HB       LYS  29  18.640   4.625  -0.036
  488   1HG   LYS  29          1HG       LYS  29  20.772   5.287   0.923
  489   2HG   LYS  29          2HG       LYS  29  20.786   6.742  -0.076
  490   1HD   LYS  29          1HD       LYS  29  18.689   6.068   1.986
  491   2HD   LYS  29          2HD       LYS  29  20.039   7.177   2.233
  492   1HE   LYS  29          1HE       LYS  29  19.208   8.650   0.520
  493   2HE   LYS  29          2HE       LYS  29  17.936   7.505   0.097
  494   1HZ   LYS  29          1HZ       LYS  29  17.376   7.833   2.643
  495   2HZ   LYS  29          2HZ       LYS  29  18.118   9.332   2.368
  496   3HZ   LYS  29          3HZ       LYS  29  16.771   8.874   1.450
  497    H    CYS  30           H        CYS  30  19.391   2.376  -0.689
  498    HA   CYS  30           HA       CYS  30  22.202   1.593  -0.352
  499   1HB   CYS  30          1HB       CYS  30  22.024   1.332   1.883
  500   2HB   CYS  30          2HB       CYS  30  20.763   2.533   1.691
  501    H    GLY  31           H        GLY  31  18.940   0.658  -1.016
  502   1HA   GLY  31          1HA       GLY  31  18.646  -1.958  -0.542
  503   2HA   GLY  31          2HA       GLY  31  18.143  -1.243  -2.062
  504   1HN   NH2  32          1HN       NH2  32  20.231  -0.895  -3.552
  505   2HN   NH2  32          2HN       NH2  32  21.205  -2.316  -3.735
  Start of MODEL   15
    1   1H    ACE   0          1H        ACE   0 -18.545  -1.755  -5.863
    2   2H    ACE   0          2H        ACE   0 -17.640  -0.558  -4.931
    3   3H    ACE   0          3H        ACE   0 -19.163  -0.108  -5.707
    4    H    GLU   1           H        GLU   1 -19.142  -3.236  -4.400
    5    HA   GLU   1           HA       GLU   1 -21.093  -2.528  -2.411
    6   1HB   GLU   1          1HB       GLU   1 -21.422  -4.546  -3.699
    7   2HB   GLU   1          2HB       GLU   1 -19.846  -5.162  -3.219
    8   1HG   GLU   1          1HG       GLU   1 -20.584  -5.444  -0.957
    9   2HG   GLU   1          2HG       GLU   1 -22.124  -4.672  -1.321
   10    H    VAL   2           H        VAL   2 -20.948  -3.178  -0.154
   11    HA   VAL   2           HA       VAL   2 -18.753  -2.195   1.208
   12    HB   VAL   2           HB       VAL   2 -20.657  -4.325   2.198
   13   1HG1  VAL   2          1HG1      VAL   2 -18.679  -4.118   3.610
   14   2HG1  VAL   2          2HG1      VAL   2 -18.937  -2.377   3.728
   15   3HG1  VAL   2          3HG1      VAL   2 -20.110  -3.490   4.431
   16   1HG2  VAL   2          1HG2      VAL   2 -21.315  -1.818   1.338
   17   2HG2  VAL   2          2HG2      VAL   2 -22.233  -2.768   2.505
   18   3HG2  VAL   2          3HG2      VAL   2 -21.069  -1.568   3.068
   19    H    ALA   3           H        ALA   3 -19.528  -5.612   0.554
   20    HA   ALA   3           HA       ALA   3 -17.280  -6.747   1.754
   21   1HB   ALA   3          1HB       ALA   3 -19.454  -7.766   0.551
   22   2HB   ALA   3          2HB       ALA   3 -18.251  -8.053  -0.706
   23   3HB   ALA   3          3HB       ALA   3 -18.008  -8.708   0.913
   24    H    GLN   4           H        GLN   4 -17.771  -5.545  -1.522
   25    HA   GLN   4           HA       GLN   4 -15.311  -6.329  -2.633
   26   1HB   GLN   4          1HB       GLN   4 -17.038  -3.938  -3.268
   27   2HB   GLN   4          2HB       GLN   4 -15.741  -4.546  -4.291
   28   1HG   GLN   4          1HG       GLN   4 -18.229  -6.067  -3.541
   29   2HG   GLN   4          2HG       GLN   4 -17.957  -5.238  -5.072
   30   1HE2  GLN   4          1HE2      GLN   4 -16.374  -7.925  -6.519
   31   2HE2  GLN   4          2HE2      GLN   4 -17.209  -6.417  -6.670
   32    H    LEU   5           H        LEU   5 -16.325  -3.372  -1.010
   33    HA   LEU   5           HA       LEU   5 -13.873  -1.997  -1.258
   34   1HB   LEU   5          1HB       LEU   5 -16.238  -1.725   0.565
   35   2HB   LEU   5          2HB       LEU   5 -14.841  -0.671   0.715
   36    HG   LEU   5           HG       LEU   5 -16.541  -0.945  -1.770
   37   1HD1  LEU   5          1HD1      LEU   5 -16.540   1.078   0.453
   38   2HD1  LEU   5          2HD1      LEU   5 -17.242   1.390  -1.133
   39   3HD1  LEU   5          3HD1      LEU   5 -17.885   0.094  -0.126
   40   1HD2  LEU   5          1HD2      LEU   5 -14.083  -0.264  -1.986
   41   2HD2  LEU   5          2HD2      LEU   5 -15.288   0.812  -2.695
   42   3HD2  LEU   5          3HD2      LEU   5 -14.545   1.215  -1.147
   43    H    GLU   6           H        GLU   6 -15.174  -4.214   1.159
   44    HA   GLU   6           HA       GLU   6 -13.170  -3.846   3.114
   45   1HB   GLU   6          1HB       GLU   6 -14.984  -6.166   2.466
   46   2HB   GLU   6          2HB       GLU   6 -13.809  -6.246   3.771
   47   1HG   GLU   6          1HG       GLU   6 -15.968  -4.160   3.564
   48   2HG   GLU   6          2HG       GLU   6 -16.114  -5.655   4.485
   49    H    LYS   7           H        LYS   7 -13.429  -5.903   0.270
   50    HA   LYS   7           HA       LYS   7 -11.024  -7.367   0.685
   51   1HB   LYS   7          1HB       LYS   7 -12.505  -6.762  -1.889
   52   2HB   LYS   7          2HB       LYS   7 -11.235  -7.964  -1.701
   53   1HG   LYS   7          1HG       LYS   7 -12.584  -9.300  -0.286
   54   2HG   LYS   7          2HG       LYS   7 -13.804  -8.033  -0.147
   55   1HD   LYS   7          1HD       LYS   7 -14.221  -8.241  -2.583
   56   2HD   LYS   7          2HD       LYS   7 -13.084  -9.589  -2.627
   57   1HE   LYS   7          1HE       LYS   7 -14.475 -10.847  -1.089
   58   2HE   LYS   7          2HE       LYS   7 -15.590  -9.489  -0.950
   59   1HZ   LYS   7          1HZ       LYS   7 -15.262 -10.121  -3.666
   60   2HZ   LYS   7          2HZ       LYS   7 -15.610 -11.552  -2.828
   61   3HZ   LYS   7          3HZ       LYS   7 -16.667 -10.228  -2.718
   62    H    GLU   8           H        GLU   8 -11.849  -4.354  -0.886
   63    HA   GLU   8           HA       GLU   8  -9.325  -3.876  -2.102
   64   1HB   GLU   8          1HB       GLU   8 -11.268  -2.740  -2.935
   65   2HB   GLU   8          2HB       GLU   8 -11.637  -2.082  -1.349
   66   1HG   GLU   8          1HG       GLU   8 -10.762  -0.387  -2.804
   67   2HG   GLU   8          2HG       GLU   8  -9.669  -0.672  -1.456
   68    H    VAL   9           H        VAL   9 -10.798  -3.002   0.980
   69    HA   VAL   9           HA       VAL   9  -8.675  -1.372   1.915
   70    HB   VAL   9           HB       VAL   9 -10.830  -2.895   3.398
   71   1HG1  VAL   9          1HG1      VAL   9  -8.748  -2.596   4.773
   72   2HG1  VAL   9          2HG1      VAL   9  -8.968  -0.855   4.597
   73   3HG1  VAL   9          3HG1      VAL   9 -10.191  -1.813   5.425
   74   1HG2  VAL   9          1HG2      VAL   9 -10.737  -0.378   2.050
   75   2HG2  VAL   9          2HG2      VAL   9 -12.092  -1.146   2.877
   76   3HG2  VAL   9          3HG2      VAL   9 -10.992  -0.100   3.773
   77    H    ALA  10           H        ALA  10  -9.489  -4.788   2.286
   78    HA   ALA  10           HA       ALA  10  -7.280  -5.492   3.904
   79   1HB   ALA  10          1HB       ALA  10  -9.454  -6.851   2.573
   80   2HB   ALA  10          2HB       ALA  10  -7.950  -7.762   2.445
   81   3HB   ALA  10          3HB       ALA  10  -8.568  -7.304   4.030
   82    H    GLN  11           H        GLN  11  -7.674  -4.984   0.503
   83    HA   GLN  11           HA       GLN  11  -5.368  -6.390  -0.391
   84   1HB   GLN  11          1HB       GLN  11  -7.332  -5.594  -1.820
   85   2HB   GLN  11          2HB       GLN  11  -6.643  -3.984  -1.706
   86   1HG   GLN  11          1HG       GLN  11  -5.962  -4.909  -3.776
   87   2HG   GLN  11          2HG       GLN  11  -4.551  -4.876  -2.718
   88   1HE2  GLN  11          1HE2      GLN  11  -6.019  -8.620  -2.658
   89   2HE2  GLN  11          2HE2      GLN  11  -6.844  -7.275  -1.943
   90    H    ALA  12           H        ALA  12  -6.096  -2.993   0.248
   91    HA   ALA  12           HA       ALA  12  -3.477  -2.029  -0.141
   92   1HB   ALA  12          1HB       ALA  12  -5.594  -0.664  -0.101
   93   2HB   ALA  12          2HB       ALA  12  -5.522  -0.772   1.657
   94   3HB   ALA  12          3HB       ALA  12  -4.219   0.018   0.767
   95    H    GLU  13           H        GLU  13  -5.218  -3.211   2.665
   96    HA   GLU  13           HA       GLU  13  -3.333  -2.576   4.646
   97   1HB   GLU  13          1HB       GLU  13  -5.518  -4.612   4.399
   98   2HB   GLU  13          2HB       GLU  13  -4.437  -4.654   5.785
   99   1HG   GLU  13          1HG       GLU  13  -5.972  -2.201   4.988
  100   2HG   GLU  13          2HG       GLU  13  -6.625  -3.430   6.069
  101    H    ALA  14           H        ALA  14  -3.727  -5.431   2.583
  102    HA   ALA  14           HA       ALA  14  -1.671  -6.984   3.713
  103   1HB   ALA  14          1HB       ALA  14  -3.241  -7.028   1.209
  104   2HB   ALA  14          2HB       ALA  14  -1.686  -7.860   1.167
  105   3HB   ALA  14          3HB       ALA  14  -2.900  -8.322   2.358
  106    H    GLU  15           H        GLU  15  -1.705  -4.738   0.960
  107    HA   GLU  15           HA       GLU  15   1.021  -5.004   0.276
  108   1HB   GLU  15          1HB       GLU  15  -0.958  -2.765  -0.122
  109   2HB   GLU  15          2HB       GLU  15   0.705  -2.647  -0.677
  110   1HG   GLU  15          1HG       GLU  15   0.356  -4.614  -2.090
  111   2HG   GLU  15          2HG       GLU  15  -1.318  -4.689  -1.547
  112    H    ASN  16           H        ASN  16  -0.705  -2.664   2.274
  113    HA   ASN  16           HA       ASN  16   1.356  -1.018   3.061
  114   1HB   ASN  16          1HB       ASN  16  -1.148  -0.834   3.537
  115   2HB   ASN  16          2HB       ASN  16  -0.873  -1.914   4.896
  116   1HD2  ASN  16          1HD2      ASN  16  -0.352   1.976   5.315
  117   2HD2  ASN  16          2HD2      ASN  16  -1.174   1.213   3.990
  118    H    TYR  17           H        TYR  17   0.239  -4.001   4.613
  119    HA   TYR  17           HA       TYR  17   2.017  -4.073   6.767
  120   1HB   TYR  17          1HB       TYR  17   0.049  -5.575   6.472
  121   2HB   TYR  17          2HB       TYR  17   0.904  -6.405   5.183
  122    HD1  TYR  17           HD1      TYR  17   3.115  -7.598   5.807
  123    HD2  TYR  17           HD2      TYR  17   0.264  -6.288   8.683
  124    HE1  TYR  17           HE1      TYR  17   4.064  -9.158   7.450
  125    HE2  TYR  17           HE2      TYR  17   1.209  -7.844  10.335
  126    HH   TYR  17           HH       TYR  17   2.621 -10.233  10.005
  127    H    GLN  18           H        GLN  18   2.345  -5.240   3.456
  128    HA   GLN  18           HA       GLN  18   4.910  -6.424   3.810
  129   1HB   GLN  18          1HB       GLN  18   3.497  -5.494   1.307
  130   2HB   GLN  18          2HB       GLN  18   4.971  -6.453   1.328
  131   1HG   GLN  18          1HG       GLN  18   3.833  -8.292   2.353
  132   2HG   GLN  18          2HG       GLN  18   2.375  -7.326   2.567
  133   1HE2  GLN  18          1HE2      GLN  18   1.064  -8.248  -0.466
  134   2HE2  GLN  18          2HE2      GLN  18   0.859  -7.697   1.161
  135    H    LEU  19           H        LEU  19   3.819  -3.259   2.654
  136    HA   LEU  19           HA       LEU  19   6.328  -2.304   1.796
  137   1HB   LEU  19          1HB       LEU  19   4.164  -0.582   2.984
  138   2HB   LEU  19          2HB       LEU  19   5.374  -0.124   1.807
  139    HG   LEU  19           HG       LEU  19   2.932  -1.832   1.373
  140   1HD1  LEU  19          1HD1      LEU  19   2.985   0.762   1.369
  141   2HD1  LEU  19          2HD1      LEU  19   3.765   0.562  -0.199
  142   3HD1  LEU  19          3HD1      LEU  19   2.150  -0.096   0.075
  143   1HD2  LEU  19          1HD2      LEU  19   5.058  -2.673   0.199
  144   2HD2  LEU  19          2HD2      LEU  19   3.624  -2.380  -0.784
  145   3HD2  LEU  19          3HD2      LEU  19   4.934  -1.201  -0.764
  146    H    GLU  20           H        GLU  20   4.634  -1.827   4.900
  147    HA   GLU  20           HA       GLU  20   6.655  -0.328   6.141
  148   1HB   GLU  20          1HB       GLU  20   4.700  -2.233   7.452
  149   2HB   GLU  20          2HB       GLU  20   5.572  -0.935   8.255
  150   1HG   GLU  20          1HG       GLU  20   3.661  -0.450   5.992
  151   2HG   GLU  20          2HG       GLU  20   3.153  -0.496   7.678
  152    H    GLN  21           H        GLN  21   6.107  -3.810   5.978
  153    HA   GLN  21           HA       GLN  21   8.239  -4.515   7.714
  154   1HB   GLN  21          1HB       GLN  21   6.259  -5.966   7.035
  155   2HB   GLN  21          2HB       GLN  21   7.104  -6.246   5.519
  156   1HG   GLN  21          1HG       GLN  21   8.910  -7.321   6.639
  157   2HG   GLN  21          2HG       GLN  21   8.273  -6.857   8.216
  158   1HE2  GLN  21          1HE2      GLN  21   6.316  -9.656   8.553
  159   2HE2  GLN  21          2HE2      GLN  21   7.084  -8.265   9.246
  160    H    GLU  22           H        GLU  22   7.951  -4.085   4.229
  161    HA   GLU  22           HA       GLU  22  10.525  -5.032   3.549
  162   1HB   GLU  22          1HB       GLU  22   8.642  -4.742   1.935
  163   2HB   GLU  22          2HB       GLU  22   8.847  -3.001   2.064
  164   1HG   GLU  22          1HG       GLU  22  10.719  -2.983   0.806
  165   2HG   GLU  22          2HG       GLU  22  11.243  -4.571   1.352
  166    H    VAL  23           H        VAL  23   9.246  -1.843   4.389
  167    HA   VAL  23           HA       VAL  23  11.574  -0.346   3.888
  168    HB   VAL  23           HB       VAL  23   9.317   0.080   5.849
  169   1HG1  VAL  23          1HG1      VAL  23  11.894   1.471   5.639
  170   2HG1  VAL  23          2HG1      VAL  23  10.483   2.530   5.601
  171   3HG1  VAL  23          3HG1      VAL  23  10.729   1.434   6.963
  172   1HG2  VAL  23          1HG2      VAL  23   9.961   0.945   3.088
  173   2HG2  VAL  23          2HG2      VAL  23   8.406   0.531   3.813
  174   3HG2  VAL  23          3HG2      VAL  23   9.140   2.104   4.134
  175    H    ALA  24           H        ALA  24  10.426  -2.002   6.804
  176    HA   ALA  24           HA       ALA  24  12.592  -1.305   8.459
  177   1HB   ALA  24          1HB       ALA  24  10.383  -2.283   9.191
  178   2HB   ALA  24          2HB       ALA  24  10.997  -3.851   8.663
  179   3HB   ALA  24          3HB       ALA  24  11.815  -2.973   9.956
  180    H    GLN  25           H        GLN  25  12.013  -3.998   6.268
  181    HA   GLN  25           HA       GLN  25  14.291  -5.519   6.881
  182   1HB   GLN  25          1HB       GLN  25  12.403  -6.402   5.583
  183   2HB   GLN  25          2HB       GLN  25  12.797  -5.311   4.263
  184   1HG   GLN  25          1HG       GLN  25  14.923  -6.442   3.935
  185   2HG   GLN  25          2HG       GLN  25  14.579  -7.513   5.294
  186   1HE2  GLN  25          1HE2      GLN  25  13.400  -8.530   1.666
  187   2HE2  GLN  25          2HE2      GLN  25  14.606  -7.344   2.047
  188    H    LEU  26           H        LEU  26  13.739  -3.025   4.393
  189    HA   LEU  26           HA       LEU  26  16.290  -3.157   3.234
  190   1HB   LEU  26          1HB       LEU  26  14.516  -0.720   3.460
  191   2HB   LEU  26          2HB       LEU  26  15.859  -0.918   2.349
  192    HG   LEU  26           HG       LEU  26  13.228  -2.392   2.312
  193   1HD1  LEU  26          1HD1      LEU  26  14.210  -0.053   1.020
  194   2HD1  LEU  26          2HD1      LEU  26  13.969  -1.314  -0.190
  195   3HD1  LEU  26          3HD1      LEU  26  12.636  -0.831   0.859
  196   1HD2  LEU  26          1HD2      LEU  26  15.469  -3.690   1.783
  197   2HD2  LEU  26          2HD2      LEU  26  14.011  -3.920   0.816
  198   3HD2  LEU  26          3HD2      LEU  26  15.300  -2.861   0.236
  199    H    GLU  27           H        GLU  27  15.074  -1.139   5.899
  200    HA   GLU  27           HA       GLU  27  17.449   0.281   6.386
  201   1HB   GLU  27          1HB       GLU  27  15.210  -0.565   8.233
  202   2HB   GLU  27          2HB       GLU  27  16.510   0.512   8.725
  203   1HG   GLU  27          1HG       GLU  27  14.722   1.086   6.384
  204   2HG   GLU  27          2HG       GLU  27  14.345   1.595   8.027
  205    H    HIS  28           H        HIS  28  16.244  -2.775   7.674
  206    HA   HIS  28           HA       HIS  28  18.388  -3.290   9.441
  207   1HB   HIS  28          1HB       HIS  28  16.282  -4.382   9.781
  208   2HB   HIS  28          2HB       HIS  28  16.311  -5.078   8.166
  209    HD1  HIS  28           HD1      HIS  28  18.898  -5.255  10.994
  210    HD2  HIS  28           HD2      HIS  28  16.590  -7.686   8.530
  211    HE1  HIS  28           HE1      HIS  28  19.550  -7.641  11.534
  212    H    GLU  29           H        GLU  29  17.774  -4.317   6.088
  213    HA   GLU  29           HA       GLU  29  20.081  -5.973   5.920
  214   1HB   GLU  29          1HB       GLU  29  18.386  -4.706   3.767
  215   2HB   GLU  29          2HB       GLU  29  19.690  -5.842   3.448
  216   1HG   GLU  29          1HG       GLU  29  17.212  -6.407   5.062
  217   2HG   GLU  29          2HG       GLU  29  17.526  -6.944   3.412
  218    H    CYS  30           H        CYS  30  19.530  -2.589   5.542
  219    HA   CYS  30           HA       CYS  30  21.869  -1.971   4.037
  220   1HB   CYS  30          1HB       CYS  30  19.919  -0.432   4.277
  221   2HB   CYS  30          2HB       CYS  30  20.373  -0.179   5.961
  222    H    GLY  31           H        GLY  31  21.101  -1.979   7.502
  223   1HA   GLY  31          1HA       GLY  31  23.764  -2.674   8.224
  224   2HA   GLY  31          2HA       GLY  31  23.458  -0.969   8.522
  225   1HN   NH2  32          1HN       NH2  32  23.706  -3.654  10.116
  226   2HN   NH2  32          2HN       NH2  32  22.476  -3.467  11.321
  227   1H    ACE   0          1H        ACE   0 -18.819  -1.234   8.085
  228   2H    ACE   0          2H        ACE   0 -18.576  -2.304   6.701
  229   3H    ACE   0          3H        ACE   0 -20.052  -2.428   7.664
  230    H    GLU   1           H        GLU   1 -18.891   0.747   7.152
  231    HA   GLU   1           HA       GLU   1 -21.161   1.311   5.421
  232   1HB   GLU   1          1HB       GLU   1 -20.775   2.735   7.379
  233   2HB   GLU   1          2HB       GLU   1 -19.193   3.174   6.754
  234   1HG   GLU   1          1HG       GLU   1 -20.321   4.154   4.768
  235   2HG   GLU   1          2HG       GLU   1 -21.868   3.845   5.554
  236    H    VAL   2           H        VAL   2 -21.028   1.881   3.333
  237    HA   VAL   2           HA       VAL   2 -18.774   1.263   1.797
  238    HB   VAL   2           HB       VAL   2 -21.197   2.943   1.132
  239   1HG1  VAL   2          1HG1      VAL   2 -18.929   3.252  -0.240
  240   2HG1  VAL   2          2HG1      VAL   2 -19.540   1.804  -1.042
  241   3HG1  VAL   2          3HG1      VAL   2 -20.517   3.271  -1.011
  242   1HG2  VAL   2          1HG2      VAL   2 -21.326   0.419   1.620
  243   2HG2  VAL   2          2HG2      VAL   2 -22.099   1.035   0.158
  244   3HG2  VAL   2          3HG2      VAL   2 -20.533   0.231   0.057
  245    H    GLN   3           H        GLN   3 -20.124   4.444   2.654
  246    HA   GLN   3           HA       GLN   3 -18.156   6.056   1.504
  247   1HB   GLN   3          1HB       GLN   3 -20.430   6.445   3.025
  248   2HB   GLN   3          2HB       GLN   3 -19.159   7.016   4.092
  249   1HG   GLN   3          1HG       GLN   3 -19.797   8.007   1.324
  250   2HG   GLN   3          2HG       GLN   3 -20.049   8.854   2.846
  251   1HE2  GLN   3          1HE2      GLN   3 -16.900  10.235   2.926
  252   2HE2  GLN   3          2HE2      GLN   3 -18.501  10.137   3.571
  253    H    ALA   4           H        ALA   4 -18.343   4.602   4.706
  254    HA   ALA   4           HA       ALA   4 -16.046   5.692   5.858
  255   1HB   ALA   4          1HB       ALA   4 -17.821   3.394   6.357
  256   2HB   ALA   4          2HB       ALA   4 -16.207   3.277   7.055
  257   3HB   ALA   4          3HB       ALA   4 -17.249   4.644   7.460
  258    H    LEU   5           H        LEU   5 -16.488   2.672   4.046
  259    HA   LEU   5           HA       LEU   5 -13.804   1.812   4.287
  260   1HB   LEU   5          1HB       LEU   5 -15.979   1.069   2.338
  261   2HB   LEU   5          2HB       LEU   5 -14.418   0.271   2.398
  262    HG   LEU   5           HG       LEU   5 -16.393   0.371   4.679
  263   1HD1  LEU   5          1HD1      LEU   5 -15.797  -1.736   2.621
  264   2HD1  LEU   5          2HD1      LEU   5 -16.579  -2.095   4.162
  265   3HD1  LEU   5          3HD1      LEU   5 -17.349  -0.998   3.017
  266   1HD2  LEU   5          1HD2      LEU   5 -13.602  -0.378   4.482
  267   2HD2  LEU   5          2HD2      LEU   5 -14.619  -0.174   5.909
  268   3HD2  LEU   5          3HD2      LEU   5 -14.606  -1.713   5.046
  269    H    LYS   6           H        LYS   6 -15.470   3.808   1.907
  270    HA   LYS   6           HA       LYS   6 -13.464   3.764  -0.074
  271   1HB   LYS   6          1HB       LYS   6 -15.528   5.864   0.626
  272   2HB   LYS   6          2HB       LYS   6 -14.484   5.964  -0.790
  273   1HG   LYS   6          1HG       LYS   6 -15.448   4.017  -1.741
  274   2HG   LYS   6          2HG       LYS   6 -16.312   3.638  -0.251
  275   1HD   LYS   6          1HD       LYS   6 -17.844   4.573  -1.859
  276   2HD   LYS   6          2HD       LYS   6 -17.626   5.709  -0.528
  277   1HE   LYS   6          1HE       LYS   6 -16.070   7.011  -1.872
  278   2HE   LYS   6          2HE       LYS   6 -16.224   5.853  -3.196
  279   1HZ   LYS   6          1HZ       LYS   6 -18.498   7.418  -2.092
  280   2HZ   LYS   6          2HZ       LYS   6 -17.592   7.894  -3.449
  281   3HZ   LYS   6          3HZ       LYS   6 -18.492   6.457  -3.489
  282    H    LYS   7           H        LYS   7 -13.963   5.815   2.764
  283    HA   LYS   7           HA       LYS   7 -11.710   7.486   2.241
  284   1HB   LYS   7          1HB       LYS   7 -13.582   7.102   4.510
  285   2HB   LYS   7          2HB       LYS   7 -11.998   7.761   4.903
  286   1HG   LYS   7          1HG       LYS   7 -13.552   9.554   4.530
  287   2HG   LYS   7          2HG       LYS   7 -12.351   9.536   3.238
  288   1HD   LYS   7          1HD       LYS   7 -14.089   8.117   1.955
  289   2HD   LYS   7          2HD       LYS   7 -15.236   8.730   3.148
  290   1HE   LYS   7          1HE       LYS   7 -15.317  10.164   1.229
  291   2HE   LYS   7          2HE       LYS   7 -14.537  11.043   2.545
  292   1HZ   LYS   7          1HZ       LYS   7 -13.142   9.683   0.305
  293   2HZ   LYS   7          2HZ       LYS   7 -13.375  11.358   0.454
  294   3HZ   LYS   7          3HZ       LYS   7 -12.388  10.539   1.562
  295    H    ARG   8           H        ARG   8 -12.237   4.454   3.858
  296    HA   ARG   8           HA       ARG   8  -9.756   4.272   5.212
  297   1HB   ARG   8          1HB       ARG   8 -11.708   2.802   5.687
  298   2HB   ARG   8          2HB       ARG   8 -11.478   2.031   4.122
  299   1HG   ARG   8          1HG       ARG   8 -10.533   0.645   5.837
  300   2HG   ARG   8          2HG       ARG   8  -9.229   1.310   4.850
  301   1HD   ARG   8          1HD       ARG   8  -8.986   3.115   6.581
  302   2HD   ARG   8          2HD       ARG   8 -10.115   2.202   7.576
  303    HE   ARG   8           HE       ARG   8  -8.127   0.424   6.914
  304   1HH1  ARG   8          1HH1      ARG   8  -8.309   3.520   8.537
  305   2HH1  ARG   8          2HH1      ARG   8  -6.959   3.198   9.584
  306   1HH2  ARG   8          1HH2      ARG   8  -6.311   0.011   8.243
  307   2HH2  ARG   8          2HH2      ARG   8  -5.801   1.222   9.386
  308    H    VAL   9           H        VAL   9 -10.892   3.269   2.029
  309    HA   VAL   9           HA       VAL   9  -8.562   2.007   1.112
  310    HB   VAL   9           HB       VAL   9 -10.709   3.485  -0.423
  311   1HG1  VAL   9          1HG1      VAL   9  -8.353   3.102  -1.525
  312   2HG1  VAL   9          2HG1      VAL   9  -8.953   1.453  -1.707
  313   3HG1  VAL   9          3HG1      VAL   9  -9.839   2.798  -2.425
  314   1HG2  VAL   9          1HG2      VAL   9 -10.278   0.616   0.336
  315   2HG2  VAL   9          2HG2      VAL   9 -11.693   1.633   0.613
  316   3HG2  VAL   9          3HG2      VAL   9 -11.314   1.074  -1.017
  317    H    GLN  10           H        GLN  10  -9.650   5.380   0.803
  318    HA   GLN  10           HA       GLN  10  -7.379   6.292  -0.605
  319   1HB   GLN  10          1HB       GLN  10  -9.271   7.838   1.174
  320   2HB   GLN  10          2HB       GLN  10  -8.138   8.543   0.027
  321   1HG   GLN  10          1HG       GLN  10 -10.513   6.810  -0.605
  322   2HG   GLN  10          2HG       GLN  10 -10.332   8.531  -0.928
  323   1HE2  GLN  10          1HE2      GLN  10  -9.381   6.019  -3.758
  324   2HE2  GLN  10          2HE2      GLN  10 -10.489   5.768  -2.457
  325    H    ALA  11           H        ALA  11  -8.082   6.006   2.841
  326    HA   ALA  11           HA       ALA  11  -5.882   7.522   3.772
  327   1HB   ALA  11          1HB       ALA  11  -7.912   6.754   5.110
  328   2HB   ALA  11          2HB       ALA  11  -7.097   5.195   5.243
  329   3HB   ALA  11          3HB       ALA  11  -6.345   6.642   5.914
  330    H    LEU  12           H        LEU  12  -6.345   4.083   3.147
  331    HA   LEU  12           HA       LEU  12  -3.756   3.269   3.913
  332   1HB   LEU  12          1HB       LEU  12  -5.849   2.045   2.141
  333   2HB   LEU  12          2HB       LEU  12  -4.298   1.279   2.389
  334    HG   LEU  12           HG       LEU  12  -6.060   2.010   4.708
  335   1HD1  LEU  12          1HD1      LEU  12  -6.820   0.230   2.718
  336   2HD1  LEU  12          2HD1      LEU  12  -6.103  -0.792   3.965
  337   3HD1  LEU  12          3HD1      LEU  12  -7.438   0.286   4.369
  338   1HD2  LEU  12          1HD2      LEU  12  -3.487   1.221   4.628
  339   2HD2  LEU  12          2HD2      LEU  12  -4.585   0.827   5.951
  340   3HD2  LEU  12          3HD2      LEU  12  -4.290  -0.350   4.673
  341    H    LYS  13           H        LYS  13  -5.180   4.100   0.766
  342    HA   LYS  13           HA       LYS  13  -2.952   3.608  -0.840
  343   1HB   LYS  13          1HB       LYS  13  -5.419   5.201  -1.050
  344   2HB   LYS  13          2HB       LYS  13  -4.096   5.785  -2.050
  345   1HG   LYS  13          1HG       LYS  13  -5.601   4.220  -3.227
  346   2HG   LYS  13          2HG       LYS  13  -3.931   3.663  -3.167
  347   1HD   LYS  13          1HD       LYS  13  -4.480   2.161  -1.331
  348   2HD   LYS  13          2HD       LYS  13  -6.147   2.746  -1.337
  349   1HE   LYS  13          1HE       LYS  13  -6.468   1.894  -3.585
  350   2HE   LYS  13          2HE       LYS  13  -4.782   1.381  -3.655
  351   1HZ   LYS  13          1HZ       LYS  13  -6.195   0.318  -1.398
  352   2HZ   LYS  13          2HZ       LYS  13  -6.882  -0.146  -2.876
  353   3HZ   LYS  13          3HZ       LYS  13  -5.249  -0.483  -2.554
  354    H    ALA  14           H        ALA  14  -3.798   6.486   1.040
  355    HA   ALA  14           HA       ALA  14  -1.712   8.131   0.099
  356   1HB   ALA  14          1HB       ALA  14  -3.588   8.169   2.369
  357   2HB   ALA  14          2HB       ALA  14  -2.094   9.079   2.591
  358   3HB   ALA  14          3HB       ALA  14  -3.154   9.443   1.229
  359    H    ARG  15           H        ARG  15  -1.934   5.957   2.891
  360    HA   ARG  15           HA       ARG  15   0.731   6.459   3.804
  361   1HB   ARG  15          1HB       ARG  15  -0.971   5.597   5.323
  362   2HB   ARG  15          2HB       ARG  15  -1.148   4.151   4.340
  363   1HG   ARG  15          1HG       ARG  15   0.146   3.549   6.220
  364   2HG   ARG  15          2HG       ARG  15   1.252   3.627   4.850
  365   1HD   ARG  15          1HD       ARG  15   1.844   5.954   5.588
  366   2HD   ARG  15          2HD       ARG  15   0.898   5.657   7.049
  367    HE   ARG  15           HE       ARG  15   2.810   3.591   6.641
  368   1HH1  ARG  15          1HH1      ARG  15   2.484   6.890   7.812
  369   2HH1  ARG  15          2HH1      ARG  15   3.937   6.812   8.773
  370   1HH2  ARG  15          1HH2      ARG  15   4.678   3.491   7.891
  371   2HH2  ARG  15          2HH2      ARG  15   5.193   4.875   8.810
  372    H    ASN  16           H        ASN  16  -0.777   4.046   1.749
  373    HA   ASN  16           HA       ASN  16   1.400   2.316   1.408
  374   1HB   ASN  16          1HB       ASN  16  -1.126   2.898  -0.082
  375   2HB   ASN  16          2HB       ASN  16   0.092   1.907  -0.863
  376   1HD2  ASN  16          1HD2      ASN  16  -1.138  -0.916   0.698
  377   2HD2  ASN  16          2HD2      ASN  16  -0.521  -0.147  -0.718
  378    H    TYR  17           H        TYR  17   0.309   5.135  -0.438
  379    HA   TYR  17           HA       TYR  17   2.206   5.025  -2.497
  380   1HB   TYR  17          1HB       TYR  17   0.137   6.532  -2.278
  381   2HB   TYR  17          2HB       TYR  17   1.143   7.580  -1.287
  382    HD1  TYR  17           HD1      TYR  17   3.052   5.985  -3.831
  383    HD2  TYR  17           HD2      TYR  17   0.401   9.239  -3.133
  384    HE1  TYR  17           HE1      TYR  17   3.888   7.093  -5.859
  385    HE2  TYR  17           HE2      TYR  17   1.229  10.353  -5.162
  386    HH   TYR  17           HH       TYR  17   3.825   9.979  -6.535
  387    H    ALA  18           H        ALA  18   2.269   6.665   0.648
  388    HA   ALA  18           HA       ALA  18   4.824   7.831   0.369
  389   1HB   ALA  18          1HB       ALA  18   3.194   8.562   2.051
  390   2HB   ALA  18          2HB       ALA  18   3.390   7.028   2.901
  391   3HB   ALA  18          3HB       ALA  18   4.745   8.150   2.781
  392    H    ALA  19           H        ALA  19   3.756   4.762   1.785
  393    HA   ALA  19           HA       ALA  19   6.278   3.932   2.726
  394   1HB   ALA  19          1HB       ALA  19   3.742   2.993   2.952
  395   2HB   ALA  19          2HB       ALA  19   4.459   1.798   1.870
  396   3HB   ALA  19          3HB       ALA  19   5.186   2.111   3.446
  397    H    LYS  20           H        LYS  20   4.595   3.356  -0.356
  398    HA   LYS  20           HA       LYS  20   6.468   1.586  -1.475
  399   1HB   LYS  20          1HB       LYS  20   4.567   3.552  -2.759
  400   2HB   LYS  20          2HB       LYS  20   5.574   2.456  -3.695
  401   1HG   LYS  20          1HG       LYS  20   4.451   0.557  -2.884
  402   2HG   LYS  20          2HG       LYS  20   3.683   1.469  -1.582
  403   1HD   LYS  20          1HD       LYS  20   2.445   2.764  -3.308
  404   2HD   LYS  20          2HD       LYS  20   3.128   1.699  -4.537
  405   1HE   LYS  20          1HE       LYS  20   1.602   0.611  -2.198
  406   2HE   LYS  20          2HE       LYS  20   0.772   1.186  -3.643
  407   1HZ   LYS  20          1HZ       LYS  20   2.877  -0.915  -3.642
  408   2HZ   LYS  20          2HZ       LYS  20   1.205  -1.228  -3.646
  409   3HZ   LYS  20          3HZ       LYS  20   1.927  -0.425  -4.960
  410    H    GLN  21           H        GLN  21   6.309   5.107  -1.419
  411    HA   GLN  21           HA       GLN  21   8.550   5.568  -3.101
  412   1HB   GLN  21          1HB       GLN  21   7.297   7.289  -0.952
  413   2HB   GLN  21          2HB       GLN  21   8.547   7.844  -2.054
  414   1HG   GLN  21          1HG       GLN  21   7.091   7.548  -3.942
  415   2HG   GLN  21          2HG       GLN  21   5.857   6.816  -2.920
  416   1HE2  GLN  21          1HE2      GLN  21   4.361   9.824  -2.172
  417   2HE2  GLN  21          2HE2      GLN  21   4.300   8.095  -2.287
  418    H    LYS  22           H        LYS  22   8.114   5.238   0.389
  419    HA   LYS  22           HA       LYS  22  10.752   5.795   1.169
  420   1HB   LYS  22          1HB       LYS  22   8.479   4.271   2.388
  421   2HB   LYS  22          2HB       LYS  22  10.073   4.156   3.120
  422   1HG   LYS  22          1HG       LYS  22   9.323   6.902   2.568
  423   2HG   LYS  22          2HG       LYS  22   8.166   6.084   3.621
  424   1HD   LYS  22          1HD       LYS  22   9.839   7.125   4.987
  425   2HD   LYS  22          2HD       LYS  22  10.063   5.379   5.061
  426   1HE   LYS  22          1HE       LYS  22  12.219   6.329   4.845
  427   2HE   LYS  22          2HE       LYS  22  11.817   5.643   3.274
  428   1HZ   LYS  22          1HZ       LYS  22  11.146   7.912   2.573
  429   2HZ   LYS  22          2HZ       LYS  22  11.727   8.508   4.051
  430   3HZ   LYS  22          3HZ       LYS  22  12.795   7.777   2.957
  431    H    VAL  23           H        VAL  23   9.167   2.774   0.215
  432    HA   VAL  23           HA       VAL  23  11.308   1.026   0.711
  433    HB   VAL  23           HB       VAL  23   9.175   0.839  -1.437
  434   1HG1  VAL  23          1HG1      VAL  23  11.493  -0.606  -1.345
  435   2HG1  VAL  23          2HG1      VAL  23  10.375  -1.639  -0.454
  436   3HG1  VAL  23          3HG1      VAL  23   9.990  -1.138  -2.100
  437   1HG2  VAL  23          1HG2      VAL  23   9.175   0.304   1.438
  438   2HG2  VAL  23          2HG2      VAL  23   7.824   0.493   0.319
  439   3HG2  VAL  23          3HG2      VAL  23   8.629  -1.068   0.473
  440    H    GLN  24           H        GLN  24  10.367   2.698  -2.294
  441    HA   GLN  24           HA       GLN  24  12.563   1.830  -3.818
  442   1HB   GLN  24          1HB       GLN  24  10.829   4.285  -4.088
  443   2HB   GLN  24          2HB       GLN  24  12.039   3.812  -5.274
  444   1HG   GLN  24          1HG       GLN  24   9.628   2.201  -4.466
  445   2HG   GLN  24          2HG       GLN  24   9.817   3.126  -5.956
  446   1HE2  GLN  24          1HE2      GLN  24  11.548   0.647  -7.639
  447   2HE2  GLN  24          2HE2      GLN  24  10.859   2.240  -7.640
  448    H    ALA  25           H        ALA  25  12.120   4.636  -1.733
  449    HA   ALA  25           HA       ALA  25  14.475   6.013  -2.434
  450   1HB   ALA  25          1HB       ALA  25  12.346   6.500  -0.775
  451   2HB   ALA  25          2HB       ALA  25  13.682   6.305   0.359
  452   3HB   ALA  25          3HB       ALA  25  13.783   7.511  -0.925
  453    H    LEU  26           H        LEU  26  13.804   3.722   0.193
  454    HA   LEU  26           HA       LEU  26  16.388   3.718   1.327
  455   1HB   LEU  26          1HB       LEU  26  14.318   1.516   1.248
  456   2HB   LEU  26          2HB       LEU  26  15.728   1.529   2.284
  457    HG   LEU  26           HG       LEU  26  13.553   3.608   2.425
  458   1HD1  LEU  26          1HD1      LEU  26  12.759   1.280   2.892
  459   2HD1  LEU  26          2HD1      LEU  26  13.924   1.222   4.216
  460   3HD1  LEU  26          3HD1      LEU  26  12.616   2.404   4.245
  461   1HD2  LEU  26          1HD2      LEU  26  16.073   3.059   3.867
  462   2HD2  LEU  26          2HD2      LEU  26  15.245   4.587   3.574
  463   3HD2  LEU  26          3HD2      LEU  26  14.684   3.509   4.855
  464    H    ARG  27           H        ARG  27  14.864   1.744  -1.157
  465    HA   ARG  27           HA       ARG  27  16.973  -0.074  -1.543
  466   1HB   ARG  27          1HB       ARG  27  14.473  -0.090  -2.286
  467   2HB   ARG  27          2HB       ARG  27  15.073   0.744  -3.710
  468   1HG   ARG  27          1HG       ARG  27  16.140  -1.092  -4.512
  469   2HG   ARG  27          2HG       ARG  27  16.421  -1.770  -2.905
  470   1HD   ARG  27          1HD       ARG  27  14.165  -2.464  -2.706
  471   2HD   ARG  27          2HD       ARG  27  13.685  -1.544  -4.126
  472    HE   ARG  27           HE       ARG  27  14.792  -4.180  -4.053
  473   1HH1  ARG  27          1HH1      ARG  27  14.574  -1.297  -6.047
  474   2HH1  ARG  27          2HH1      ARG  27  14.862  -2.156  -7.524
  475   1HH2  ARG  27          1HH2      ARG  27  15.143  -5.294  -5.982
  476   2HH2  ARG  27          2HH2      ARG  27  15.185  -4.436  -7.495
  477    H    HIS  28           H        HIS  28  16.328   3.108  -2.807
  478    HA   HIS  28           HA       HIS  28  18.339   2.979  -4.868
  479   1HB   HIS  28          1HB       HIS  28  16.256   4.385  -5.000
  480   2HB   HIS  28          2HB       HIS  28  16.922   5.391  -3.722
  481    HD1  HIS  28           HD1      HIS  28  16.399   7.065  -5.981
  482    HD2  HIS  28           HD2      HIS  28  19.826   4.712  -5.909
  483    HE1  HIS  28           HE1      HIS  28  18.027   8.123  -7.601
  484    H    LYS  29           H        LYS  29  17.954   4.608  -1.749
  485    HA   LYS  29           HA       LYS  29  20.462   5.870  -1.709
  486   1HB   LYS  29          1HB       LYS  29  18.508   6.474  -0.279
  487   2HB   LYS  29          2HB       LYS  29  18.787   5.012   0.656
  488   1HG   LYS  29          1HG       LYS  29  20.988   5.837   1.302
  489   2HG   LYS  29          2HG       LYS  29  20.712   7.307   0.362
  490   1HD   LYS  29          1HD       LYS  29  18.753   7.805   1.784
  491   2HD   LYS  29          2HD       LYS  29  19.121   6.377   2.755
  492   1HE   LYS  29          1HE       LYS  29  19.998   8.350   3.838
  493   2HE   LYS  29          2HE       LYS  29  21.323   7.327   3.289
  494   1HZ   LYS  29          1HZ       LYS  29  20.741   9.094   1.220
  495   2HZ   LYS  29          2HZ       LYS  29  20.784  10.015   2.637
  496   3HZ   LYS  29          3HZ       LYS  29  22.122   9.070   2.206
  497    H    CYS  30           H        CYS  30  19.390   2.781  -0.329
  498    HA   CYS  30           HA       CYS  30  22.232   2.063  -0.014
  499   1HB   CYS  30          1HB       CYS  30  21.080   2.607   2.158
  500   2HB   CYS  30          2HB       CYS  30  20.017   1.241   1.865
  501    H    GLY  31           H        GLY  31  19.021   0.503   0.202
  502   1HA   GLY  31          1HA       GLY  31  18.494  -1.013  -1.723
  503   2HA   GLY  31          2HA       GLY  31  20.115  -1.654  -1.487
  504   1HN   NH2  32          1HN       NH2  32  20.062  -1.582   1.351
  505   2HN   NH2  32          2HN       NH2  32  18.966  -2.813   1.896
  Start of MODEL   16
    1   1H    ACE   0          1H        ACE   0 -18.620   2.037  -5.137
    2   2H    ACE   0          2H        ACE   0 -19.846   1.594  -6.329
    3   3H    ACE   0          3H        ACE   0 -18.315   0.713  -6.266
    4    H    GLU   1           H        GLU   1 -19.385  -1.276  -5.966
    5    HA   GLU   1           HA       GLU   1 -21.222  -1.720  -3.821
    6   1HB   GLU   1          1HB       GLU   1 -21.167  -3.116  -5.861
    7   2HB   GLU   1          2HB       GLU   1 -19.579  -3.712  -5.397
    8   1HG   GLU   1          1HG       GLU   1 -20.571  -4.643  -3.342
    9   2HG   GLU   1          2HG       GLU   1 -22.156  -4.130  -3.911
   10    H    VAL   2           H        VAL   2 -20.858  -2.973  -1.907
   11    HA   VAL   2           HA       VAL   2 -18.606  -2.263  -0.429
   12    HB   VAL   2           HB       VAL   2 -20.335  -4.689   0.075
   13   1HG1  VAL   2          1HG1      VAL   2 -18.632  -3.007   1.910
   14   2HG1  VAL   2          2HG1      VAL   2 -19.722  -4.290   2.437
   15   3HG1  VAL   2          3HG1      VAL   2 -18.330  -4.676   1.427
   16   1HG2  VAL   2          1HG2      VAL   2 -20.817  -1.788   0.512
   17   2HG2  VAL   2          2HG2      VAL   2 -21.944  -3.062   0.046
   18   3HG2  VAL   2          3HG2      VAL   2 -21.404  -2.932   1.719
   19    H    ALA   3           H        ALA   3 -19.375  -5.378  -1.991
   20    HA   ALA   3           HA       ALA   3 -17.017  -6.721  -1.304
   21   1HB   ALA   3          1HB       ALA   3 -19.232  -7.538  -2.443
   22   2HB   ALA   3          2HB       ALA   3 -18.317  -7.263  -3.926
   23   3HB   ALA   3          3HB       ALA   3 -17.712  -8.391  -2.713
   24    H    GLN   4           H        GLN   4 -17.752  -4.624  -4.046
   25    HA   GLN   4           HA       GLN   4 -15.364  -5.055  -5.503
   26   1HB   GLN   4          1HB       GLN   4 -17.100  -2.591  -5.354
   27   2HB   GLN   4          2HB       GLN   4 -15.890  -2.905  -6.590
   28   1HG   GLN   4          1HG       GLN   4 -18.355  -4.565  -6.111
   29   2HG   GLN   4          2HG       GLN   4 -18.176  -3.345  -7.370
   30   1HE2  GLN   4          1HE2      GLN   4 -16.747  -5.532  -9.613
   31   2HE2  GLN   4          2HE2      GLN   4 -17.505  -4.006  -9.276
   32    H    LEU   5           H        LEU   5 -16.286  -2.747  -3.022
   33    HA   LEU   5           HA       LEU   5 -13.824  -1.325  -3.060
   34   1HB   LEU   5          1HB       LEU   5 -16.097  -1.487  -1.102
   35   2HB   LEU   5          2HB       LEU   5 -14.692  -0.465  -0.832
   36    HG   LEU   5           HG       LEU   5 -16.566  -0.253  -3.191
   37   1HD1  LEU   5          1HD1      LEU   5 -17.348   0.382  -0.788
   38   2HD1  LEU   5          2HD1      LEU   5 -16.325   1.798  -1.049
   39   3HD1  LEU   5          3HD1      LEU   5 -17.663   1.463  -2.148
   40   1HD2  LEU   5          1HD2      LEU   5 -14.132   1.292  -2.346
   41   2HD2  LEU   5          2HD2      LEU   5 -14.494   0.564  -3.912
   42   3HD2  LEU   5          3HD2      LEU   5 -15.371   1.999  -3.386
   43    H    GLU   6           H        GLU   6 -15.098  -4.061  -1.291
   44    HA   GLU   6           HA       GLU   6 -13.037  -4.250   0.646
   45   1HB   GLU   6          1HB       GLU   6 -15.060  -6.171  -0.467
   46   2HB   GLU   6          2HB       GLU   6 -13.791  -6.753   0.600
   47   1HG   GLU   6          1HG       GLU   6 -15.551  -4.466   1.393
   48   2HG   GLU   6          2HG       GLU   6 -16.065  -6.140   1.607
   49    H    LYS   7           H        LYS   7 -13.446  -5.604  -2.612
   50    HA   LYS   7           HA       LYS   7 -11.002  -7.085  -2.488
   51   1HB   LYS   7          1HB       LYS   7 -11.382  -7.702  -4.730
   52   2HB   LYS   7          2HB       LYS   7 -12.971  -7.639  -3.973
   53   1HG   LYS   7          1HG       LYS   7 -13.566  -5.722  -5.072
   54   2HG   LYS   7          2HG       LYS   7 -11.883  -5.267  -5.335
   55   1HD   LYS   7          1HD       LYS   7 -12.933  -5.957  -7.432
   56   2HD   LYS   7          2HD       LYS   7 -11.655  -7.082  -6.968
   57   1HE   LYS   7          1HE       LYS   7 -13.360  -8.587  -6.011
   58   2HE   LYS   7          2HE       LYS   7 -14.619  -7.482  -6.561
   59   1HZ   LYS   7          1HZ       LYS   7 -13.064  -7.974  -8.776
   60   2HZ   LYS   7          2HZ       LYS   7 -13.217  -9.481  -8.013
   61   3HZ   LYS   7          3HZ       LYS   7 -14.605  -8.611  -8.455
   62    H    GLU   8           H        GLU   8 -11.851  -3.866  -3.070
   63    HA   GLU   8           HA       GLU   8  -9.490  -3.139  -4.572
   64   1HB   GLU   8          1HB       GLU   8 -11.600  -1.902  -4.864
   65   2HB   GLU   8          2HB       GLU   8 -11.607  -1.484  -3.157
   66   1HG   GLU   8          1HG       GLU   8 -10.854   0.440  -4.165
   67   2HG   GLU   8          2HG       GLU   8  -9.361  -0.338  -3.649
   68    H    VAL   9           H        VAL   9 -10.758  -2.780  -1.286
   69    HA   VAL   9           HA       VAL   9  -8.533  -1.444  -0.187
   70    HB   VAL   9           HB       VAL   9 -10.646  -3.182   1.116
   71   1HG1  VAL   9          1HG1      VAL   9  -8.158  -2.345   2.207
   72   2HG1  VAL   9          2HG1      VAL   9  -9.438  -1.404   2.977
   73   3HG1  VAL   9          3HG1      VAL   9  -9.490  -3.165   3.018
   74   1HG2  VAL   9          1HG2      VAL   9 -10.325  -0.259   0.618
   75   2HG2  VAL   9          2HG2      VAL   9 -11.754  -1.281   0.449
   76   3HG2  VAL   9          3HG2      VAL   9 -11.195  -0.793   2.051
   77    H    ALA  10           H        ALA  10  -9.436  -4.856  -0.406
   78    HA   ALA  10           HA       ALA  10  -7.188  -5.896   0.949
   79   1HB   ALA  10          1HB       ALA  10  -9.489  -6.965  -0.008
   80   2HB   ALA  10          2HB       ALA  10  -8.319  -7.575  -1.178
   81   3HB   ALA  10          3HB       ALA  10  -8.102  -7.910   0.541
   82    H    GLN  11           H        GLN  11  -7.671  -4.759  -2.301
   83    HA   GLN  11           HA       GLN  11  -5.405  -6.026  -3.480
   84   1HB   GLN  11          1HB       GLN  11  -7.438  -4.926  -4.666
   85   2HB   GLN  11          2HB       GLN  11  -6.584  -3.414  -4.405
   86   1HG   GLN  11          1HG       GLN  11  -6.205  -4.384  -6.646
   87   2HG   GLN  11          2HG       GLN  11  -4.725  -4.136  -5.716
   88   1HE2  GLN  11          1HE2      GLN  11  -3.719  -7.418  -6.042
   89   2HE2  GLN  11          2HE2      GLN  11  -3.339  -5.750  -5.787
   90    H    ALA  12           H        ALA  12  -6.064  -2.815  -2.184
   91    HA   ALA  12           HA       ALA  12  -3.430  -1.823  -2.529
   92   1HB   ALA  12          1HB       ALA  12  -5.664  -0.555  -2.150
   93   2HB   ALA  12          2HB       ALA  12  -5.257  -0.744  -0.444
   94   3HB   ALA  12          3HB       ALA  12  -4.155   0.111  -1.525
   95    H    GLU  13           H        GLU  13  -5.160  -3.210   0.233
   96    HA   GLU  13           HA       GLU  13  -3.180  -2.900   2.174
   97   1HB   GLU  13          1HB       GLU  13  -5.395  -4.899   1.802
   98   2HB   GLU  13          2HB       GLU  13  -4.307  -5.003   3.174
   99   1HG   GLU  13          1HG       GLU  13  -5.690  -2.430   2.612
  100   2HG   GLU  13          2HG       GLU  13  -6.592  -3.752   3.349
  101    H    ALA  14           H        ALA  14  -3.645  -5.430  -0.248
  102    HA   ALA  14           HA       ALA  14  -1.709  -7.239   0.675
  103   1HB   ALA  14          1HB       ALA  14  -3.457  -7.592  -1.146
  104   2HB   ALA  14          2HB       ALA  14  -2.324  -6.793  -2.238
  105   3HB   ALA  14          3HB       ALA  14  -1.862  -8.288  -1.425
  106    H    GLU  15           H        GLU  15  -1.444  -4.656  -1.772
  107    HA   GLU  15           HA       GLU  15   1.332  -4.956  -2.198
  108   1HB   GLU  15          1HB       GLU  15  -0.475  -2.571  -2.568
  109   2HB   GLU  15          2HB       GLU  15   1.216  -2.580  -3.032
  110   1HG   GLU  15          1HG       GLU  15   0.732  -4.467  -4.556
  111   2HG   GLU  15          2HG       GLU  15  -0.972  -4.288  -4.150
  112    H    ASN  16           H        ASN  16  -0.525  -2.633  -0.276
  113    HA   ASN  16           HA       ASN  16   1.470  -1.123   0.823
  114   1HB   ASN  16          1HB       ASN  16  -1.056  -0.888   1.078
  115   2HB   ASN  16          2HB       ASN  16  -0.940  -2.051   2.393
  116   1HD2  ASN  16          1HD2      ASN  16  -0.250   1.805   3.063
  117   2HD2  ASN  16          2HD2      ASN  16  -0.980   1.154   1.625
  118    H    TYR  17           H        TYR  17   0.161  -4.144   2.112
  119    HA   TYR  17           HA       TYR  17   1.681  -4.343   4.435
  120   1HB   TYR  17          1HB       TYR  17  -0.287  -5.791   3.550
  121   2HB   TYR  17          2HB       TYR  17   0.965  -6.734   2.753
  122    HD1  TYR  17           HD1      TYR  17   2.312  -5.472   5.725
  123    HD2  TYR  17           HD2      TYR  17  -0.344  -8.461   4.280
  124    HE1  TYR  17           HE1      TYR  17   2.647  -6.758   7.792
  125    HE2  TYR  17           HE2      TYR  17  -0.023  -9.752   6.344
  126    HH   TYR  17           HH       TYR  17   1.711  -8.457   9.086
  127    H    GLN  18           H        GLN  18   2.406  -5.368   1.134
  128    HA   GLN  18           HA       GLN  18   4.927  -6.552   1.821
  129   1HB   GLN  18          1HB       GLN  18   3.741  -5.776  -0.846
  130   2HB   GLN  18          2HB       GLN  18   5.255  -6.649  -0.651
  131   1HG   GLN  18          1HG       GLN  18   4.050  -8.462   0.466
  132   2HG   GLN  18          2HG       GLN  18   2.538  -7.589   0.234
  133   1HE2  GLN  18          1HE2      GLN  18   3.859 -10.014  -2.589
  134   2HE2  GLN  18          2HE2      GLN  18   4.409  -9.986  -0.950
  135    H    LEU  19           H        LEU  19   3.880  -3.455   0.485
  136    HA   LEU  19           HA       LEU  19   6.367  -2.425  -0.249
  137   1HB   LEU  19          1HB       LEU  19   4.102  -0.822   0.936
  138   2HB   LEU  19          2HB       LEU  19   5.371  -0.232  -0.114
  139    HG   LEU  19           HG       LEU  19   3.094  -2.054  -0.868
  140   1HD1  LEU  19          1HD1      LEU  19   2.804   0.486  -0.596
  141   2HD1  LEU  19          2HD1      LEU  19   3.760   0.601  -2.073
  142   3HD1  LEU  19          3HD1      LEU  19   2.231  -0.277  -2.079
  143   1HD2  LEU  19          1HD2      LEU  19   5.572  -2.226  -1.961
  144   2HD2  LEU  19          2HD2      LEU  19   4.069  -2.604  -2.803
  145   3HD2  LEU  19          3HD2      LEU  19   4.812  -1.016  -2.994
  146    H    GLU  20           H        GLU  20   4.634  -2.171   2.841
  147    HA   GLU  20           HA       GLU  20   6.578  -0.645   4.179
  148   1HB   GLU  20          1HB       GLU  20   4.574  -2.616   5.300
  149   2HB   GLU  20          2HB       GLU  20   5.486  -1.456   6.256
  150   1HG   GLU  20          1HG       GLU  20   3.539  -0.745   4.070
  151   2HG   GLU  20          2HG       GLU  20   3.180  -0.732   5.797
  152    H    GLN  21           H        GLN  21   6.152  -4.156   3.901
  153    HA   GLN  21           HA       GLN  21   8.229  -4.873   5.671
  154   1HB   GLN  21          1HB       GLN  21   6.989  -6.344   3.351
  155   2HB   GLN  21          2HB       GLN  21   8.209  -7.057   4.396
  156   1HG   GLN  21          1HG       GLN  21   6.725  -6.663   6.326
  157   2HG   GLN  21          2HG       GLN  21   5.490  -6.077   5.215
  158   1HE2  GLN  21          1HE2      GLN  21   6.105  -9.799   4.004
  159   2HE2  GLN  21          2HE2      GLN  21   7.086  -8.440   3.575
  160    H    GLU  22           H        GLU  22   8.184  -4.181   2.215
  161    HA   GLU  22           HA       GLU  22  10.882  -4.939   1.747
  162   1HB   GLU  22          1HB       GLU  22   9.124  -4.765  -0.015
  163   2HB   GLU  22          2HB       GLU  22   9.157  -3.017   0.173
  164   1HG   GLU  22          1HG       GLU  22  10.469  -3.463  -1.697
  165   2HG   GLU  22          2HG       GLU  22  11.620  -3.147  -0.403
  166    H    VAL  23           H        VAL  23   9.253  -1.819   2.335
  167    HA   VAL  23           HA       VAL  23  11.521  -0.182   2.116
  168    HB   VAL  23           HB       VAL  23   8.972   0.190   3.693
  169   1HG1  VAL  23          1HG1      VAL  23  11.284   1.490   4.328
  170   2HG1  VAL  23          2HG1      VAL  23  10.576   2.580   3.138
  171   3HG1  VAL  23          3HG1      VAL  23   9.662   2.135   4.580
  172   1HG2  VAL  23          1HG2      VAL  23   9.518   0.363   0.987
  173   2HG2  VAL  23          2HG2      VAL  23   8.126   1.056   1.818
  174   3HG2  VAL  23          3HG2      VAL  23   9.563   2.039   1.535
  175    H    ALA  24           H        ALA  24  10.090  -1.736   4.991
  176    HA   ALA  24           HA       ALA  24  11.870  -0.732   6.891
  177   1HB   ALA  24          1HB       ALA  24   9.793  -2.606   6.863
  178   2HB   ALA  24          2HB       ALA  24  11.200  -3.463   7.492
  179   3HB   ALA  24          3HB       ALA  24  10.651  -1.978   8.269
  180    H    GLN  25           H        GLN  25  12.095  -3.612   4.861
  181    HA   GLN  25           HA       GLN  25  14.501  -4.620   5.925
  182   1HB   GLN  25          1HB       GLN  25  12.898  -5.895   4.512
  183   2HB   GLN  25          2HB       GLN  25  13.398  -4.937   3.126
  184   1HG   GLN  25          1HG       GLN  25  15.666  -5.825   3.339
  185   2HG   GLN  25          2HG       GLN  25  15.153  -6.789   4.724
  186   1HE2  GLN  25          1HE2      GLN  25  14.214  -9.429   2.727
  187   2HE2  GLN  25          2HE2      GLN  25  14.807  -8.828   4.236
  188    H    LEU  26           H        LEU  26  13.868  -2.628   3.042
  189    HA   LEU  26           HA       LEU  26  16.549  -2.338   2.255
  190   1HB   LEU  26          1HB       LEU  26  14.187  -0.521   1.772
  191   2HB   LEU  26          2HB       LEU  26  15.728  -0.398   0.939
  192    HG   LEU  26           HG       LEU  26  13.923  -2.822   0.823
  193   1HD1  LEU  26          1HD1      LEU  26  13.472  -0.378  -0.387
  194   2HD1  LEU  26          2HD1      LEU  26  14.268  -1.330  -1.639
  195   3HD1  LEU  26          3HD1      LEU  26  12.797  -1.932  -0.875
  196   1HD2  LEU  26          1HD2      LEU  26  16.492  -2.951   0.449
  197   2HD2  LEU  26          2HD2      LEU  26  15.398  -3.740  -0.688
  198   3HD2  LEU  26          3HD2      LEU  26  16.118  -2.182  -1.095
  199    H    GLU  27           H        GLU  27  14.511  -0.258   4.308
  200    HA   GLU  27           HA       GLU  27  16.422   1.780   4.704
  201   1HB   GLU  27          1HB       GLU  27  14.129   0.837   6.428
  202   2HB   GLU  27          2HB       GLU  27  15.100   2.247   6.815
  203   1HG   GLU  27          1HG       GLU  27  13.653   1.976   4.208
  204   2HG   GLU  27          2HG       GLU  27  12.882   2.630   5.650
  205    H    HIS  28           H        HIS  28  15.721  -1.175   6.483
  206    HA   HIS  28           HA       HIS  28  17.530  -0.770   8.601
  207   1HB   HIS  28          1HB       HIS  28  15.758  -2.356   8.833
  208   2HB   HIS  28          2HB       HIS  28  16.289  -3.254   7.420
  209    HD1  HIS  28           HD1      HIS  28  18.101  -2.282  10.666
  210    HD2  HIS  28           HD2      HIS  28  17.221  -5.570   8.281
  211    HE1  HIS  28           HE1      HIS  28  19.250  -4.263  11.739
  212    H    GLU  29           H        GLU  29  17.889  -2.502   5.510
  213    HA   GLU  29           HA       GLU  29  20.567  -3.307   6.070
  214   1HB   GLU  29          1HB       GLU  29  19.061  -3.170   3.459
  215   2HB   GLU  29          2HB       GLU  29  20.639  -3.920   3.666
  216   1HG   GLU  29          1HG       GLU  29  18.136  -4.756   5.119
  217   2HG   GLU  29          2HG       GLU  29  18.768  -5.530   3.665
  218    H    CYS  30           H        CYS  30  19.129  -0.469   4.728
  219    HA   CYS  30           HA       CYS  30  21.564   0.510   3.529
  220   1HB   CYS  30          1HB       CYS  30  19.271   1.093   2.692
  221   2HB   CYS  30          2HB       CYS  30  19.034   2.047   4.152
  222    H    GLY  31           H        GLY  31  20.674   0.124   6.651
  223   1HA   GLY  31          1HA       GLY  31  21.709   2.657   7.656
  224   2HA   GLY  31          2HA       GLY  31  21.050   1.341   8.619
  225   1HN   NH2  32          1HN       NH2  32  22.910  -0.394   6.821
  226   2HN   NH2  32          2HN       NH2  32  24.414  -0.329   7.685
  227   1H    ACE   0          1H        ACE   0 -18.372  -2.777   6.827
  228   2H    ACE   0          2H        ACE   0 -17.301  -2.833   5.425
  229   3H    ACE   0          3H        ACE   0 -18.728  -3.872   5.487
  230    H    GLU   1           H        GLU   1 -18.071  -0.397   5.999
  231    HA   GLU   1           HA       GLU   1 -20.530   0.224   4.571
  232   1HB   GLU   1          1HB       GLU   1 -20.062   1.361   6.709
  233   2HB   GLU   1          2HB       GLU   1 -18.617   2.070   6.002
  234   1HG   GLU   1          1HG       GLU   1 -20.497   3.640   6.073
  235   2HG   GLU   1          2HG       GLU   1 -19.949   3.323   4.427
  236    H    VAL   2           H        VAL   2 -20.655   1.210   2.639
  237    HA   VAL   2           HA       VAL   2 -18.543   1.007   0.807
  238    HB   VAL   2           HB       VAL   2 -21.148   2.529   0.702
  239   1HG1  VAL   2          1HG1      VAL   2 -18.867   2.994  -0.924
  240   2HG1  VAL   2          2HG1      VAL   2 -20.092   2.186  -1.905
  241   3HG1  VAL   2          3HG1      VAL   2 -20.485   3.684  -1.069
  242   1HG2  VAL   2          1HG2      VAL   2 -21.016  -0.027   0.625
  243   2HG2  VAL   2          2HG2      VAL   2 -21.922   0.777  -0.656
  244   3HG2  VAL   2          3HG2      VAL   2 -20.293   0.184  -0.970
  245    H    GLN   3           H        GLN   3 -19.930   3.897   2.359
  246    HA   GLN   3           HA       GLN   3 -18.164   5.795   1.314
  247   1HB   GLN   3          1HB       GLN   3 -20.243   6.370   2.472
  248   2HB   GLN   3          2HB       GLN   3 -19.595   5.739   3.979
  249   1HG   GLN   3          1HG       GLN   3 -17.806   7.475   3.838
  250   2HG   GLN   3          2HG       GLN   3 -18.668   8.162   2.462
  251   1HE2  GLN   3          1HE2      GLN   3 -20.747  10.041   4.451
  252   2HE2  GLN   3          2HE2      GLN   3 -19.951   9.773   2.939
  253    H    ALA   4           H        ALA   4 -17.923   3.662   4.057
  254    HA   ALA   4           HA       ALA   4 -15.612   4.791   5.237
  255   1HB   ALA   4          1HB       ALA   4 -17.246   2.364   5.558
  256   2HB   ALA   4          2HB       ALA   4 -15.572   2.241   6.098
  257   3HB   ALA   4          3HB       ALA   4 -16.629   3.485   6.771
  258    H    LEU   5           H        LEU   5 -16.104   1.988   3.106
  259    HA   LEU   5           HA       LEU   5 -13.388   1.242   2.985
  260   1HB   LEU   5          1HB       LEU   5 -15.625   0.690   1.038
  261   2HB   LEU   5          2HB       LEU   5 -14.066  -0.113   1.034
  262    HG   LEU   5           HG       LEU   5 -16.105  -0.257   3.257
  263   1HD1  LEU   5          1HD1      LEU   5 -16.368  -1.469   0.906
  264   2HD1  LEU   5          2HD1      LEU   5 -15.276  -2.620   1.679
  265   3HD1  LEU   5          3HD1      LEU   5 -16.827  -2.241   2.426
  266   1HD2  LEU   5          1HD2      LEU   5 -13.351  -0.625   3.382
  267   2HD2  LEU   5          2HD2      LEU   5 -14.550  -1.182   4.552
  268   3HD2  LEU   5          3HD2      LEU   5 -14.014  -2.255   3.261
  269    H    LYS   6           H        LYS   6 -15.312   3.491   1.037
  270    HA   LYS   6           HA       LYS   6 -13.457   3.772  -1.067
  271   1HB   LYS   6          1HB       LYS   6 -15.451   5.757   0.043
  272   2HB   LYS   6          2HB       LYS   6 -14.567   5.969  -1.463
  273   1HG   LYS   6          1HG       LYS   6 -15.607   3.959  -2.367
  274   2HG   LYS   6          2HG       LYS   6 -16.484   3.731  -0.855
  275   1HD   LYS   6          1HD       LYS   6 -17.981   4.745  -2.402
  276   2HD   LYS   6          2HD       LYS   6 -17.525   5.977  -1.225
  277   1HE   LYS   6          1HE       LYS   6 -16.036   7.016  -2.758
  278   2HE   LYS   6          2HE       LYS   6 -16.151   5.662  -3.882
  279   1HZ   LYS   6          1HZ       LYS   6 -18.589   6.240  -4.043
  280   2HZ   LYS   6          2HZ       LYS   6 -18.210   7.701  -3.266
  281   3HZ   LYS   6          3HZ       LYS   6 -17.509   7.328  -4.764
  282    H    LYS   7           H        LYS   7 -13.807   5.417   2.032
  283    HA   LYS   7           HA       LYS   7 -11.651   7.226   1.626
  284   1HB   LYS   7          1HB       LYS   7 -13.325   6.380   3.933
  285   2HB   LYS   7          2HB       LYS   7 -11.772   7.124   4.299
  286   1HG   LYS   7          1HG       LYS   7 -13.602   8.753   4.261
  287   2HG   LYS   7          2HG       LYS   7 -12.379   9.097   3.040
  288   1HD   LYS   7          1HD       LYS   7 -13.886   7.817   1.417
  289   2HD   LYS   7          2HD       LYS   7 -15.132   7.955   2.662
  290   1HE   LYS   7          1HE       LYS   7 -15.006  10.355   2.606
  291   2HE   LYS   7          2HE       LYS   7 -13.626  10.297   1.514
  292   1HZ   LYS   7          1HZ       LYS   7 -15.061   9.308  -0.172
  293   2HZ   LYS   7          2HZ       LYS   7 -16.393   9.404   0.878
  294   3HZ   LYS   7          3HZ       LYS   7 -15.640  10.820   0.323
  295    H    ARG   8           H        ARG   8 -11.923   3.955   2.796
  296    HA   ARG   8           HA       ARG   8  -9.332   3.701   3.906
  297   1HB   ARG   8          1HB       ARG   8 -11.138   2.084   4.346
  298   2HB   ARG   8          2HB       ARG   8 -11.122   1.600   2.655
  299   1HG   ARG   8          1HG       ARG   8  -9.951  -0.028   3.986
  300   2HG   ARG   8          2HG       ARG   8  -8.807   0.808   2.931
  301   1HD   ARG   8          1HD       ARG   8  -8.163   2.254   4.792
  302   2HD   ARG   8          2HD       ARG   8  -9.316   1.415   5.828
  303    HE   ARG   8           HE       ARG   8  -7.652  -0.539   4.854
  304   1HH1  ARG   8          1HH1      ARG   8  -7.219   2.435   6.642
  305   2HH1  ARG   8          2HH1      ARG   8  -5.881   1.837   7.576
  306   1HH2  ARG   8          1HH2      ARG   8  -5.871  -1.345   6.049
  307   2HH2  ARG   8          2HH2      ARG   8  -5.112  -0.324   7.242
  308    H    VAL   9           H        VAL   9 -10.709   3.095   0.720
  309    HA   VAL   9           HA       VAL   9  -8.430   2.082  -0.560
  310    HB   VAL   9           HB       VAL   9 -10.740   3.676  -1.694
  311   1HG1  VAL   9          1HG1      VAL   9  -8.312   2.991  -2.951
  312   2HG1  VAL   9          2HG1      VAL   9  -9.551   1.921  -3.602
  313   3HG1  VAL   9          3HG1      VAL   9  -9.765   3.672  -3.681
  314   1HG2  VAL   9          1HG2      VAL   9 -10.237   0.705  -1.577
  315   2HG2  VAL   9          2HG2      VAL   9 -11.429   1.603  -0.640
  316   3HG2  VAL   9          3HG2      VAL   9 -11.593   1.485  -2.391
  317    H    GLN  10           H        GLN  10  -9.673   5.397  -0.318
  318    HA   GLN  10           HA       GLN  10  -7.716   6.694  -1.830
  319   1HB   GLN  10          1HB       GLN  10  -9.230   7.756   0.569
  320   2HB   GLN  10          2HB       GLN  10  -8.370   8.736  -0.609
  321   1HG   GLN  10          1HG       GLN  10 -10.674   6.938  -1.308
  322   2HG   GLN  10          2HG       GLN  10 -10.850   8.640  -0.890
  323   1HE2  GLN  10          1HE2      GLN  10  -8.491   8.896  -4.008
  324   2HE2  GLN  10          2HE2      GLN  10  -8.010   8.660  -2.369
  325    H    ALA  11           H        ALA  11  -7.821   5.944   1.617
  326    HA   ALA  11           HA       ALA  11  -5.426   7.250   2.339
  327   1HB   ALA  11          1HB       ALA  11  -7.155   5.166   3.597
  328   2HB   ALA  11          2HB       ALA  11  -5.585   5.549   4.305
  329   3HB   ALA  11          3HB       ALA  11  -6.806   6.810   4.129
  330    H    LEU  12           H        LEU  12  -6.117   3.856   1.599
  331    HA   LEU  12           HA       LEU  12  -3.535   2.861   1.998
  332   1HB   LEU  12          1HB       LEU  12  -5.819   1.944   0.282
  333   2HB   LEU  12          2HB       LEU  12  -4.302   1.072   0.329
  334    HG   LEU  12           HG       LEU  12  -5.914   1.640   2.807
  335   1HD1  LEU  12          1HD1      LEU  12  -6.532  -0.142   0.653
  336   2HD1  LEU  12          2HD1      LEU  12  -6.114  -1.069   2.094
  337   3HD1  LEU  12          3HD1      LEU  12  -7.404   0.130   2.162
  338   1HD2  LEU  12          1HD2      LEU  12  -3.340   0.788   2.499
  339   2HD2  LEU  12          2HD2      LEU  12  -4.362   0.431   3.892
  340   3HD2  LEU  12          3HD2      LEU  12  -4.217  -0.739   2.580
  341    H    LYS  13           H        LYS  13  -5.114   3.890  -1.039
  342    HA   LYS  13           HA       LYS  13  -2.922   3.442  -2.717
  343   1HB   LYS  13          1HB       LYS  13  -5.384   5.063  -2.849
  344   2HB   LYS  13          2HB       LYS  13  -4.080   5.586  -3.906
  345   1HG   LYS  13          1HG       LYS  13  -5.542   4.069  -5.082
  346   2HG   LYS  13          2HG       LYS  13  -3.953   3.335  -4.862
  347   1HD   LYS  13          1HD       LYS  13  -4.865   2.118  -2.884
  348   2HD   LYS  13          2HD       LYS  13  -6.458   2.761  -3.283
  349   1HE   LYS  13          1HE       LYS  13  -4.753   0.975  -5.019
  350   2HE   LYS  13          2HE       LYS  13  -6.206   0.502  -4.147
  351   1HZ   LYS  13          1HZ       LYS  13  -6.854   2.697  -5.757
  352   2HZ   LYS  13          2HZ       LYS  13  -5.992   1.596  -6.720
  353   3HZ   LYS  13          3HZ       LYS  13  -7.391   1.089  -5.905
  354    H    ALA  14           H        ALA  14  -3.692   6.205  -0.667
  355    HA   ALA  14           HA       ALA  14  -1.695   7.949  -1.656
  356   1HB   ALA  14          1HB       ALA  14  -3.033   7.767   1.038
  357   2HB   ALA  14          2HB       ALA  14  -1.895   9.042   0.604
  358   3HB   ALA  14          3HB       ALA  14  -3.410   8.870  -0.285
  359    H    ARG  15           H        ARG  15  -1.711   5.523   0.911
  360    HA   ARG  15           HA       ARG  15   0.995   5.949   1.728
  361   1HB   ARG  15          1HB       ARG  15  -1.025   3.771   2.140
  362   2HB   ARG  15          2HB       ARG  15   0.646   3.524   2.624
  363   1HG   ARG  15          1HG       ARG  15  -1.164   5.716   3.598
  364   2HG   ARG  15          2HG       ARG  15  -0.742   4.244   4.477
  365   1HD   ARG  15          1HD       ARG  15   1.066   6.510   3.677
  366   2HD   ARG  15          2HD       ARG  15   0.644   5.970   5.299
  367    HE   ARG  15           HE       ARG  15   1.850   3.791   4.176
  368   1HH1  ARG  15          1HH1      ARG  15   2.765   7.144   4.577
  369   2HH1  ARG  15          2HH1      ARG  15   4.456   6.800   4.786
  370   1HH2  ARG  15          1HH2      ARG  15   4.111   3.332   4.375
  371   2HH2  ARG  15          2HH2      ARG  15   5.213   4.650   4.659
  372    H    ASN  16           H        ASN  16  -0.621   3.605  -0.325
  373    HA   ASN  16           HA       ASN  16   1.532   2.002  -1.007
  374   1HB   ASN  16          1HB       ASN  16  -1.073   2.697  -2.324
  375   2HB   ASN  16          2HB       ASN  16   0.082   1.687  -3.169
  376   1HD2  ASN  16          1HD2      ASN  16  -1.101  -1.138  -1.599
  377   2HD2  ASN  16          2HD2      ASN  16  -0.470  -0.365  -3.006
  378    H    TYR  17           H        TYR  17   0.354   4.983  -2.411
  379    HA   TYR  17           HA       TYR  17   1.979   5.107  -4.684
  380   1HB   TYR  17          1HB       TYR  17   0.002   6.541  -4.192
  381   2HB   TYR  17          2HB       TYR  17   0.959   7.388  -2.988
  382    HD1  TYR  17           HD1      TYR  17   1.288   6.422  -6.593
  383    HD2  TYR  17           HD2      TYR  17   1.830   9.394  -3.603
  384    HE1  TYR  17           HE1      TYR  17   2.108   7.988  -8.305
  385    HE2  TYR  17           HE2      TYR  17   2.651  10.970  -5.302
  386    HH   TYR  17           HH       TYR  17   3.506  11.080  -7.450
  387    H    ALA  18           H        ALA  18   2.422   6.605  -1.484
  388    HA   ALA  18           HA       ALA  18   4.993   7.649  -2.054
  389   1HB   ALA  18          1HB       ALA  18   3.301   8.248  -0.174
  390   2HB   ALA  18          2HB       ALA  18   4.147   6.992   0.730
  391   3HB   ALA  18          3HB       ALA  18   5.033   8.394   0.127
  392    H    ALA  19           H        ALA  19   3.928   4.661  -0.485
  393    HA   ALA  19           HA       ALA  19   6.487   3.799   0.320
  394   1HB   ALA  19          1HB       ALA  19   3.818   2.790   0.395
  395   2HB   ALA  19          2HB       ALA  19   4.913   1.517  -0.149
  396   3HB   ALA  19          3HB       ALA  19   5.209   2.342   1.381
  397    H    LYS  20           H        LYS  20   4.614   3.176  -2.642
  398    HA   LYS  20           HA       LYS  20   6.317   1.283  -3.791
  399   1HB   LYS  20          1HB       LYS  20   4.389   3.278  -4.926
  400   2HB   LYS  20          2HB       LYS  20   5.410   2.340  -6.007
  401   1HG   LYS  20          1HG       LYS  20   4.453   0.308  -5.325
  402   2HG   LYS  20          2HG       LYS  20   3.710   1.046  -3.906
  403   1HD   LYS  20          1HD       LYS  20   2.180   2.295  -5.317
  404   2HD   LYS  20          2HD       LYS  20   2.959   1.658  -6.769
  405   1HE   LYS  20          1HE       LYS  20   2.296  -0.600  -6.174
  406   2HE   LYS  20          2HE       LYS  20   1.608  -0.024  -4.658
  407   1HZ   LYS  20          1HZ       LYS  20   0.075   1.358  -6.065
  408   2HZ   LYS  20          2HZ       LYS  20   0.625   0.476  -7.407
  409   3HZ   LYS  20          3HZ       LYS  20  -0.170  -0.320  -6.134
  410    H    GLN  21           H        GLN  21   6.444   4.812  -3.899
  411    HA   GLN  21           HA       GLN  21   8.680   4.897  -5.672
  412   1HB   GLN  21          1HB       GLN  21   7.175   6.862  -4.022
  413   2HB   GLN  21          2HB       GLN  21   8.805   7.302  -4.507
  414   1HG   GLN  21          1HG       GLN  21   6.994   8.125  -6.012
  415   2HG   GLN  21          2HG       GLN  21   8.255   7.192  -6.806
  416   1HE2  GLN  21          1HE2      GLN  21   4.418   6.075  -7.035
  417   2HE2  GLN  21          2HE2      GLN  21   4.949   7.528  -6.255
  418    H    LYS  22           H        LYS  22   8.264   4.840  -2.192
  419    HA   LYS  22           HA       LYS  22  10.966   5.410  -1.547
  420   1HB   LYS  22          1HB       LYS  22   8.662   4.202  -0.065
  421   2HB   LYS  22          2HB       LYS  22  10.277   4.063   0.615
  422   1HG   LYS  22          1HG       LYS  22   9.730   6.767  -0.233
  423   2HG   LYS  22          2HG       LYS  22   8.509   6.184   0.898
  424   1HD   LYS  22          1HD       LYS  22  10.378   7.289   2.054
  425   2HD   LYS  22          2HD       LYS  22  10.239   5.589   2.502
  426   1HE   LYS  22          1HE       LYS  22  12.078   5.003   1.067
  427   2HE   LYS  22          2HE       LYS  22  12.143   6.636   0.411
  428   1HZ   LYS  22          1HZ       LYS  22  12.477   7.165   2.984
  429   2HZ   LYS  22          2HZ       LYS  22  13.148   5.606   2.949
  430   3HZ   LYS  22          3HZ       LYS  22  13.773   6.824   1.943
  431    H    VAL  23           H        VAL  23   9.171   2.399  -2.055
  432    HA   VAL  23           HA       VAL  23  11.203   0.592  -1.405
  433    HB   VAL  23           HB       VAL  23   8.989   0.342  -3.458
  434   1HG1  VAL  23          1HG1      VAL  23  11.149  -1.521  -2.703
  435   2HG1  VAL  23          2HG1      VAL  23   9.527  -2.211  -2.795
  436   3HG1  VAL  23          3HG1      VAL  23  10.223  -1.399  -4.198
  437   1HG2  VAL  23          1HG2      VAL  23   9.122   0.055  -0.561
  438   2HG2  VAL  23          2HG2      VAL  23   7.726   0.243  -1.622
  439   3HG2  VAL  23          3HG2      VAL  23   8.432  -1.353  -1.369
  440    H    GLN  24           H        GLN  24  10.340   1.923  -4.608
  441    HA   GLN  24           HA       GLN  24  12.476   0.669  -5.961
  442   1HB   GLN  24          1HB       GLN  24  10.920   3.146  -6.712
  443   2HB   GLN  24          2HB       GLN  24  11.977   2.244  -7.793
  444   1HG   GLN  24          1HG       GLN  24  10.551   0.289  -7.586
  445   2HG   GLN  24          2HG       GLN  24   9.511   1.150  -6.453
  446   1HE2  GLN  24          1HE2      GLN  24   7.558   2.538  -8.910
  447   2HE2  GLN  24          2HE2      GLN  24   7.806   2.095  -7.256
  448    H    ALA  25           H        ALA  25  12.237   3.727  -4.259
  449    HA   ALA  25           HA       ALA  25  14.717   4.774  -5.243
  450   1HB   ALA  25          1HB       ALA  25  12.960   5.510  -2.919
  451   2HB   ALA  25          2HB       ALA  25  14.489   6.328  -3.243
  452   3HB   ALA  25          3HB       ALA  25  13.193   6.376  -4.438
  453    H    LEU  26           H        LEU  26  13.722   3.087  -2.305
  454    HA   LEU  26           HA       LEU  26  16.236   3.138  -1.014
  455   1HB   LEU  26          1HB       LEU  26  13.910   1.232  -0.757
  456   2HB   LEU  26          2HB       LEU  26  15.305   1.217   0.301
  457    HG   LEU  26           HG       LEU  26  13.397   3.534   0.004
  458   1HD1  LEU  26          1HD1      LEU  26  13.044   1.104   1.342
  459   2HD1  LEU  26          2HD1      LEU  26  13.464   2.283   2.585
  460   3HD1  LEU  26          3HD1      LEU  26  12.092   2.578   1.520
  461   1HD2  LEU  26          1HD2      LEU  26  16.023   3.400   0.982
  462   2HD2  LEU  26          2HD2      LEU  26  14.872   4.729   1.149
  463   3HD2  LEU  26          3HD2      LEU  26  14.967   3.485   2.392
  464    H    ARG  27           H        ARG  27  14.680   0.753  -3.122
  465    HA   ARG  27           HA       ARG  27  16.711  -1.197  -2.934
  466   1HB   ARG  27          1HB       ARG  27  14.230  -0.837  -4.281
  467   2HB   ARG  27          2HB       ARG  27  15.424  -1.313  -5.482
  468   1HG   ARG  27          1HG       ARG  27  15.790  -3.361  -4.500
  469   2HG   ARG  27          2HG       ARG  27  15.210  -2.825  -2.921
  470   1HD   ARG  27          1HD       ARG  27  12.955  -2.871  -3.635
  471   2HD   ARG  27          2HD       ARG  27  13.421  -3.044  -5.326
  472    HE   ARG  27           HE       ARG  27  13.177  -5.123  -3.355
  473   1HH1  ARG  27          1HH1      ARG  27  14.691  -4.204  -6.389
  474   2HH1  ARG  27          2HH1      ARG  27  15.120  -5.835  -6.816
  475   1HH2  ARG  27          1HH2      ARG  27  13.698  -7.277  -3.946
  476   2HH2  ARG  27          2HH2      ARG  27  14.551  -7.578  -5.439
  477    H    HIS  28           H        HIS  28  16.408   1.707  -4.788
  478    HA   HIS  28           HA       HIS  28  18.464   1.011  -6.688
  479   1HB   HIS  28          1HB       HIS  28  16.536   2.563  -7.160
  480   2HB   HIS  28          2HB       HIS  28  17.299   3.725  -6.080
  481    HD1  HIS  28           HD1      HIS  28  18.437   1.723  -9.145
  482    HD2  HIS  28           HD2      HIS  28  18.730   5.508  -7.448
  483    HE1  HIS  28           HE1      HIS  28  19.790   3.131 -10.758
  484    H    LYS  29           H        LYS  29  18.161   2.974  -3.778
  485    HA   LYS  29           HA       LYS  29  20.874   3.918  -3.924
  486   1HB   LYS  29          1HB       LYS  29  18.888   5.176  -2.942
  487   2HB   LYS  29          2HB       LYS  29  19.025   4.107  -1.555
  488   1HG   LYS  29          1HG       LYS  29  21.344   4.889  -1.221
  489   2HG   LYS  29          2HG       LYS  29  21.121   6.019  -2.557
  490   1HD   LYS  29          1HD       LYS  29  19.287   7.094  -1.342
  491   2HD   LYS  29          2HD       LYS  29  19.518   5.973   0.002
  492   1HE   LYS  29          1HE       LYS  29  21.581   7.912  -1.034
  493   2HE   LYS  29          2HE       LYS  29  20.573   8.171   0.388
  494   1HZ   LYS  29          1HZ       LYS  29  22.359   5.820   0.134
  495   2HZ   LYS  29          2HZ       LYS  29  22.898   7.296   0.765
  496   3HZ   LYS  29          3HZ       LYS  29  21.649   6.458   1.541
  497    H    CYS  30           H        CYS  30  19.098   1.580  -1.954
  498    HA   CYS  30           HA       CYS  30  21.660   0.380  -1.165
  499   1HB   CYS  30          1HB       CYS  30  19.436   1.175   0.719
  500   2HB   CYS  30          2HB       CYS  30  20.738   0.080   1.158
  501    H    GLY  31           H        GLY  31  20.161  -0.733  -3.119
  502   1HA   GLY  31          1HA       GLY  31  18.981  -3.057  -1.736
  503   2HA   GLY  31          2HA       GLY  31  18.205  -2.349  -3.146
  504   1HN   NH2  32          1HN       NH2  32  20.166  -4.782  -2.144
  505   2HN   NH2  32          2HN       NH2  32  20.977  -5.131  -3.636
  Start of MODEL   17
    1   1H    ACE   0          1H        ACE   0 -19.236   1.162  -6.026
    2   2H    ACE   0          2H        ACE   0 -18.805   1.973  -4.518
    3   3H    ACE   0          3H        ACE   0 -20.401   2.225  -5.231
    4    H    GLU   1           H        GLU   1 -18.892  -0.918  -5.223
    5    HA   GLU   1           HA       GLU   1 -21.055  -1.952  -3.562
    6   1HB   GLU   1          1HB       GLU   1 -20.432  -3.090  -5.690
    7   2HB   GLU   1          2HB       GLU   1 -18.855  -3.443  -4.994
    8   1HG   GLU   1          1HG       GLU   1 -20.025  -5.407  -4.691
    9   2HG   GLU   1          2HG       GLU   1 -20.144  -4.609  -3.127
   10    H    VAL   2           H        VAL   2 -20.768  -2.934  -1.589
   11    HA   VAL   2           HA       VAL   2 -18.601  -2.127   0.024
   12    HB   VAL   2           HB       VAL   2 -20.391  -4.496   0.577
   13   1HG1  VAL   2          1HG1      VAL   2 -18.272  -3.410   2.006
   14   2HG1  VAL   2          2HG1      VAL   2 -19.718  -2.803   2.814
   15   3HG1  VAL   2          3HG1      VAL   2 -19.488  -4.539   2.603
   16   1HG2  VAL   2          1HG2      VAL   2 -21.261  -1.895   0.101
   17   2HG2  VAL   2          2HG2      VAL   2 -22.164  -3.196   0.882
   18   3HG2  VAL   2          3HG2      VAL   2 -21.238  -2.058   1.857
   19    H    ALA   3           H        ALA   3 -19.374  -5.193  -1.564
   20    HA   ALA   3           HA       ALA   3 -17.235  -6.718  -0.605
   21   1HB   ALA   3          1HB       ALA   3 -19.330  -7.036  -2.472
   22   2HB   ALA   3          2HB       ALA   3 -17.833  -7.507  -3.275
   23   3HB   ALA   3          3HB       ALA   3 -18.300  -8.279  -1.760
   24    H    GLN   4           H        GLN   4 -17.467  -4.644  -3.458
   25    HA   GLN   4           HA       GLN   4 -14.968  -5.235  -4.598
   26   1HB   GLN   4          1HB       GLN   4 -16.546  -2.669  -4.665
   27   2HB   GLN   4          2HB       GLN   4 -15.206  -3.053  -5.734
   28   1HG   GLN   4          1HG       GLN   4 -17.776  -4.609  -5.580
   29   2HG   GLN   4          2HG       GLN   4 -17.427  -3.359  -6.772
   30   1HE2  GLN   4          1HE2      GLN   4 -15.778  -5.494  -8.906
   31   2HE2  GLN   4          2HE2      GLN   4 -16.560  -3.983  -8.609
   32    H    LEU   5           H        LEU   5 -15.975  -2.644  -2.418
   33    HA   LEU   5           HA       LEU   5 -13.462  -1.434  -2.145
   34   1HB   LEU   5          1HB       LEU   5 -15.917  -1.441  -0.418
   35   2HB   LEU   5          2HB       LEU   5 -14.503  -0.473  -0.046
   36    HG   LEU   5           HG       LEU   5 -16.064  -0.254  -2.618
   37   1HD1  LEU   5          1HD1      LEU   5 -17.447   0.388  -0.720
   38   2HD1  LEU   5          2HD1      LEU   5 -16.185   1.484  -0.161
   39   3HD1  LEU   5          3HD1      LEU   5 -17.004   1.789  -1.694
   40   1HD2  LEU   5          1HD2      LEU   5 -13.539   0.495  -2.262
   41   2HD2  LEU   5          2HD2      LEU   5 -14.674   1.441  -3.225
   42   3HD2  LEU   5          3HD2      LEU   5 -14.330   1.903  -1.557
   43    H    GLU   6           H        GLU   6 -15.063  -4.021  -0.370
   44    HA   GLU   6           HA       GLU   6 -13.223  -4.254   1.755
   45   1HB   GLU   6          1HB       GLU   6 -15.119  -6.173   0.415
   46   2HB   GLU   6          2HB       GLU   6 -14.029  -6.731   1.674
   47   1HG   GLU   6          1HG       GLU   6 -15.860  -4.404   2.112
   48   2HG   GLU   6          2HG       GLU   6 -16.404  -6.068   2.331
   49    H    LYS   7           H        LYS   7 -13.343  -5.737  -1.466
   50    HA   LYS   7           HA       LYS   7 -11.014  -7.330  -1.150
   51   1HB   LYS   7          1HB       LYS   7 -12.399  -6.271  -3.618
   52   2HB   LYS   7          2HB       LYS   7 -11.044  -7.390  -3.669
   53   1HG   LYS   7          1HG       LYS   7 -12.355  -9.030  -2.412
   54   2HG   LYS   7          2HG       LYS   7 -13.716  -7.908  -2.380
   55   1HD   LYS   7          1HD       LYS   7 -13.867  -7.977  -4.800
   56   2HD   LYS   7          2HD       LYS   7 -12.436  -9.010  -4.880
   57   1HE   LYS   7          1HE       LYS   7 -13.613 -10.756  -3.656
   58   2HE   LYS   7          2HE       LYS   7 -15.039  -9.727  -3.532
   59   1HZ   LYS   7          1HZ       LYS   7 -13.882 -10.508  -6.145
   60   2HZ   LYS   7          2HZ       LYS   7 -15.030 -11.468  -5.344
   61   3HZ   LYS   7          3HZ       LYS   7 -15.432  -9.888  -5.819
   62    H    GLU   8           H        GLU   8 -11.596  -4.053  -2.225
   63    HA   GLU   8           HA       GLU   8  -8.961  -3.564  -3.185
   64   1HB   GLU   8          1HB       GLU   8 -10.986  -2.292  -3.877
   65   2HB   GLU   8          2HB       GLU   8 -11.067  -1.597  -2.265
   66   1HG   GLU   8          1HG       GLU   8 -10.081  -0.027  -3.741
   67   2HG   GLU   8          2HG       GLU   8  -8.846  -0.597  -2.624
   68    H    VAL   9           H        VAL   9 -10.656  -2.905  -0.141
   69    HA   VAL   9           HA       VAL   9  -8.554  -1.507   1.123
   70    HB   VAL   9           HB       VAL   9 -10.873  -3.074   2.281
   71   1HG1  VAL   9          1HG1      VAL   9  -8.503  -1.999   3.601
   72   2HG1  VAL   9          2HG1      VAL   9 -10.009  -1.366   4.262
   73   3HG1  VAL   9          3HG1      VAL   9  -9.731  -3.107   4.211
   74   1HG2  VAL   9          1HG2      VAL   9 -10.753  -0.575   1.081
   75   2HG2  VAL   9          2HG2      VAL   9 -12.047  -1.180   2.117
   76   3HG2  VAL   9          3HG2      VAL   9 -10.738  -0.224   2.811
   77    H    ALA  10           H        ALA  10  -9.508  -4.919   1.122
   78    HA   ALA  10           HA       ALA  10  -7.437  -5.815   2.826
   79   1HB   ALA  10          1HB       ALA  10  -9.454  -7.056   1.086
   80   2HB   ALA  10          2HB       ALA  10  -7.990  -8.008   1.327
   81   3HB   ALA  10          3HB       ALA  10  -8.941  -7.486   2.717
   82    H    GLN  11           H        GLN  11  -7.561  -4.963  -0.504
   83    HA   GLN  11           HA       GLN  11  -5.221  -6.367  -1.363
   84   1HB   GLN  11          1HB       GLN  11  -7.104  -5.462  -2.845
   85   2HB   GLN  11          2HB       GLN  11  -6.403  -3.874  -2.592
   86   1HG   GLN  11          1HG       GLN  11  -5.642  -4.719  -4.687
   87   2HG   GLN  11          2HG       GLN  11  -4.282  -4.690  -3.564
   88   1HE2  GLN  11          1HE2      GLN  11  -5.214  -8.045  -5.440
   89   2HE2  GLN  11          2HE2      GLN  11  -5.774  -6.465  -5.867
   90    H    ALA  12           H        ALA  12  -5.975  -3.001  -0.590
   91    HA   ALA  12           HA       ALA  12  -3.341  -2.037  -0.798
   92   1HB   ALA  12          1HB       ALA  12  -5.682  -0.924   0.729
   93   2HB   ALA  12          2HB       ALA  12  -4.184  -0.059   0.390
   94   3HB   ALA  12          3HB       ALA  12  -5.236  -0.550  -0.936
   95    H    GLU  13           H        GLU  13  -5.219  -3.214   1.973
   96    HA   GLU  13           HA       GLU  13  -3.382  -2.557   3.983
   97   1HB   GLU  13          1HB       GLU  13  -5.560  -4.591   3.729
   98   2HB   GLU  13          2HB       GLU  13  -4.462  -4.690   5.097
   99   1HG   GLU  13          1HG       GLU  13  -6.077  -2.256   4.378
  100   2HG   GLU  13          2HG       GLU  13  -6.557  -3.462   5.570
  101    H    ALA  14           H        ALA  14  -3.699  -5.524   2.053
  102    HA   ALA  14           HA       ALA  14  -1.583  -6.921   3.286
  103   1HB   ALA  14          1HB       ALA  14  -2.867  -7.168   0.577
  104   2HB   ALA  14          2HB       ALA  14  -1.561  -8.228   1.107
  105   3HB   ALA  14          3HB       ALA  14  -3.086  -8.197   1.993
  106    H    GLU  15           H        GLU  15  -1.737  -4.882   0.396
  107    HA   GLU  15           HA       GLU  15   0.916  -5.071  -0.428
  108   1HB   GLU  15          1HB       GLU  15  -1.334  -3.784  -1.303
  109   2HB   GLU  15          2HB       GLU  15  -0.379  -2.433  -0.713
  110   1HG   GLU  15          1HG       GLU  15   1.504  -3.289  -2.137
  111   2HG   GLU  15          2HG       GLU  15   0.336  -4.414  -2.833
  112    H    ASN  16           H        ASN  16  -0.674  -2.649   1.617
  113    HA   ASN  16           HA       ASN  16   1.499  -1.047   2.238
  114   1HB   ASN  16          1HB       ASN  16  -0.996  -0.710   2.790
  115   2HB   ASN  16          2HB       ASN  16  -0.697  -1.707   4.208
  116   1HD2  ASN  16          1HD2      ASN  16  -0.077   2.158   4.465
  117   2HD2  ASN  16          2HD2      ASN  16  -1.079   1.346   3.298
  118    H    TYR  17           H        TYR  17   0.258  -3.870   3.956
  119    HA   TYR  17           HA       TYR  17   2.047  -3.947   6.081
  120   1HB   TYR  17          1HB       TYR  17   0.028  -5.366   5.870
  121   2HB   TYR  17          2HB       TYR  17   0.821  -6.289   4.601
  122    HD1  TYR  17           HD1      TYR  17   1.629  -5.172   8.086
  123    HD2  TYR  17           HD2      TYR  17   1.623  -8.339   5.242
  124    HE1  TYR  17           HE1      TYR  17   2.560  -6.690   9.781
  125    HE2  TYR  17           HE2      TYR  17   2.554  -9.864   6.931
  126    HH   TYR  17           HH       TYR  17   2.756 -10.112   9.279
  127    H    GLN  18           H        GLN  18   2.328  -5.320   2.821
  128    HA   GLN  18           HA       GLN  18   4.865  -6.541   3.282
  129   1HB   GLN  18          1HB       GLN  18   3.425  -5.789   0.737
  130   2HB   GLN  18          2HB       GLN  18   4.947  -6.670   0.772
  131   1HG   GLN  18          1HG       GLN  18   3.904  -8.487   1.979
  132   2HG   GLN  18          2HG       GLN  18   2.386  -7.595   2.054
  133   1HE2  GLN  18          1HE2      GLN  18   2.880  -8.049  -1.825
  134   2HE2  GLN  18          2HE2      GLN  18   3.603  -6.821  -0.848
  135    H    LEU  19           H        LEU  19   3.836  -3.374   2.192
  136    HA   LEU  19           HA       LEU  19   6.362  -2.507   1.217
  137   1HB   LEU  19          1HB       LEU  19   4.168  -0.790   2.373
  138   2HB   LEU  19          2HB       LEU  19   5.454  -0.271   1.306
  139    HG   LEU  19           HG       LEU  19   3.129  -2.051   0.595
  140   1HD1  LEU  19          1HD1      LEU  19   2.961   0.532   0.779
  141   2HD1  LEU  19          2HD1      LEU  19   3.849   0.512  -0.744
  142   3HD1  LEU  19          3HD1      LEU  19   2.285  -0.297  -0.624
  143   1HD2  LEU  19          1HD2      LEU  19   5.613  -1.368  -0.932
  144   2HD2  LEU  19          2HD2      LEU  19   4.898  -2.951  -0.638
  145   3HD2  LEU  19          3HD2      LEU  19   4.110  -1.819  -1.740
  146    H    GLU  20           H        GLU  20   4.787  -2.407   4.375
  147    HA   GLU  20           HA       GLU  20   6.682  -0.771   5.654
  148   1HB   GLU  20          1HB       GLU  20   5.042  -2.979   6.915
  149   2HB   GLU  20          2HB       GLU  20   5.800  -1.633   7.756
  150   1HG   GLU  20          1HG       GLU  20   4.329  -0.091   6.455
  151   2HG   GLU  20          2HG       GLU  20   3.504  -1.512   5.815
  152    H    GLN  21           H        GLN  21   6.458  -4.321   5.419
  153    HA   GLN  21           HA       GLN  21   8.835  -4.820   6.879
  154   1HB   GLN  21          1HB       GLN  21   7.123  -6.435   5.048
  155   2HB   GLN  21          2HB       GLN  21   8.735  -7.030   5.422
  156   1HG   GLN  21          1HG       GLN  21   7.526  -8.044   7.054
  157   2HG   GLN  21          2HG       GLN  21   8.006  -6.565   7.884
  158   1HE2  GLN  21          1HE2      GLN  21   4.767  -5.531   8.461
  159   2HE2  GLN  21          2HE2      GLN  21   6.462  -5.362   8.760
  160    H    GLU  22           H        GLU  22   8.150  -4.305   3.491
  161    HA   GLU  22           HA       GLU  22  10.675  -4.957   2.436
  162   1HB   GLU  22          1HB       GLU  22   8.380  -4.416   1.284
  163   2HB   GLU  22          2HB       GLU  22   8.984  -2.767   1.285
  164   1HG   GLU  22          1HG       GLU  22   9.443  -3.833  -0.822
  165   2HG   GLU  22          2HG       GLU  22  10.949  -3.488   0.027
  166    H    VAL  23           H        VAL  23   9.291  -1.912   3.619
  167    HA   VAL  23           HA       VAL  23  11.565  -0.313   3.065
  168    HB   VAL  23           HB       VAL  23   9.211   0.049   4.916
  169   1HG1  VAL  23          1HG1      VAL  23  11.692   1.695   4.704
  170   2HG1  VAL  23          2HG1      VAL  23  10.144   2.500   4.955
  171   3HG1  VAL  23          3HG1      VAL  23  10.716   1.309   6.122
  172   1HG2  VAL  23          1HG2      VAL  23   8.806   0.257   2.519
  173   2HG2  VAL  23          2HG2      VAL  23   8.633   1.818   3.323
  174   3HG2  VAL  23          3HG2      VAL  23  10.090   1.459   2.397
  175    H    ALA  24           H        ALA  24  10.448  -1.978   6.015
  176    HA   ALA  24           HA       ALA  24  12.514  -1.157   7.711
  177   1HB   ALA  24          1HB       ALA  24  10.564  -3.377   7.695
  178   2HB   ALA  24          2HB       ALA  24  11.999  -3.603   8.697
  179   3HB   ALA  24          3HB       ALA  24  10.951  -2.211   8.961
  180    H    GLN  25           H        GLN  25  12.290  -3.878   5.487
  181    HA   GLN  25           HA       GLN  25  14.687  -5.161   6.141
  182   1HB   GLN  25          1HB       GLN  25  12.948  -6.169   4.721
  183   2HB   GLN  25          2HB       GLN  25  13.294  -4.995   3.460
  184   1HG   GLN  25          1HG       GLN  25  15.618  -5.912   3.369
  185   2HG   GLN  25          2HG       GLN  25  15.091  -7.188   4.465
  186   1HE2  GLN  25          1HE2      GLN  25  14.656  -7.731   0.612
  187   2HE2  GLN  25          2HE2      GLN  25  15.793  -6.681   1.404
  188    H    LEU  26           H        LEU  26  14.018  -2.832   3.528
  189    HA   LEU  26           HA       LEU  26  16.658  -2.605   2.631
  190   1HB   LEU  26          1HB       LEU  26  14.413  -0.596   2.513
  191   2HB   LEU  26          2HB       LEU  26  15.913  -0.476   1.611
  192    HG   LEU  26           HG       LEU  26  13.966  -2.766   1.326
  193   1HD1  LEU  26          1HD1      LEU  26  13.346  -0.299   0.556
  194   2HD1  LEU  26          2HD1      LEU  26  14.341  -0.768  -0.825
  195   3HD1  LEU  26          3HD1      LEU  26  12.922  -1.721  -0.395
  196   1HD2  LEU  26          1HD2      LEU  26  16.644  -2.204   0.332
  197   2HD2  LEU  26          2HD2      LEU  26  15.745  -3.722   0.377
  198   3HD2  LEU  26          3HD2      LEU  26  15.492  -2.582  -0.946
  199    H    GLU  27           H        GLU  27  14.886  -0.705   5.049
  200    HA   GLU  27           HA       GLU  27  16.867   1.192   5.640
  201   1HB   GLU  27          1HB       GLU  27  14.672  -0.050   7.294
  202   2HB   GLU  27          2HB       GLU  27  15.742   1.178   7.951
  203   1HG   GLU  27          1HG       GLU  27  14.173   1.650   5.445
  204   2HG   GLU  27          2HG       GLU  27  13.470   1.904   7.042
  205    H    HIS  28           H        HIS  28  16.223  -2.005   7.000
  206    HA   HIS  28           HA       HIS  28  18.303  -1.953   8.916
  207   1HB   HIS  28          1HB       HIS  28  16.379  -3.387   9.197
  208   2HB   HIS  28          2HB       HIS  28  16.735  -4.232   7.697
  209    HD1  HIS  28           HD1      HIS  28  18.985  -3.531  10.718
  210    HD2  HIS  28           HD2      HIS  28  17.481  -6.665   8.441
  211    HE1  HIS  28           HE1      HIS  28  20.050  -5.641  11.623
  212    H    GLU  29           H        GLU  29  18.065  -3.546   5.734
  213    HA   GLU  29           HA       GLU  29  20.625  -4.700   5.746
  214   1HB   GLU  29          1HB       GLU  29  18.955  -3.793   3.399
  215   2HB   GLU  29          2HB       GLU  29  20.379  -4.813   3.283
  216   1HG   GLU  29          1HG       GLU  29  17.810  -5.509   4.697
  217   2HG   GLU  29          2HG       GLU  29  18.341  -6.121   3.132
  218    H    CYS  30           H        CYS  30  19.557  -1.498   5.021
  219    HA   CYS  30           HA       CYS  30  21.826  -0.605   3.586
  220   1HB   CYS  30          1HB       CYS  30  19.496   0.474   3.823
  221   2HB   CYS  30          2HB       CYS  30  20.131   1.175   5.308
  222    H    GLY  31           H        GLY  31  21.158  -0.934   7.000
  223   1HA   GLY  31          1HA       GLY  31  23.411   0.697   7.793
  224   2HA   GLY  31          2HA       GLY  31  22.380  -0.250   8.856
  225   1HN   NH2  32          1HN       NH2  32  23.028  -2.494   6.761
  226   2HN   NH2  32          2HN       NH2  32  24.529  -3.117   7.338
  227   1H    ACE   0          1H        ACE   0 -22.386  -1.976   3.559
  228   2H    ACE   0          2H        ACE   0 -23.761  -1.375   4.491
  229   3H    ACE   0          3H        ACE   0 -22.338  -2.010   5.323
  230    H    GLU   1           H        GLU   1 -20.430  -0.771   5.382
  231    HA   GLU   1           HA       GLU   1 -20.912   2.087   5.085
  232   1HB   GLU   1          1HB       GLU   1 -19.095   0.431   6.693
  233   2HB   GLU   1          2HB       GLU   1 -18.425   1.949   6.130
  234   1HG   GLU   1          1HG       GLU   1 -19.408   2.193   8.333
  235   2HG   GLU   1          2HG       GLU   1 -20.265   3.169   7.132
  236    H    VAL   2           H        VAL   2 -20.905   1.666   2.754
  237    HA   VAL   2           HA       VAL   2 -18.591   1.073   1.275
  238    HB   VAL   2           HB       VAL   2 -21.136   2.545   0.657
  239   1HG1  VAL   2          1HG1      VAL   2 -18.955   3.519  -0.499
  240   2HG1  VAL   2          2HG1      VAL   2 -19.208   2.138  -1.564
  241   3HG1  VAL   2          3HG1      VAL   2 -20.477   3.350  -1.369
  242   1HG2  VAL   2          1HG2      VAL   2 -20.170  -0.113   0.409
  243   2HG2  VAL   2          2HG2      VAL   2 -21.758   0.524  -0.023
  244   3HG2  VAL   2          3HG2      VAL   2 -20.459   0.518  -1.212
  245    H    GLN   3           H        GLN   3 -19.983   4.137   2.357
  246    HA   GLN   3           HA       GLN   3 -18.043   5.849   1.280
  247   1HB   GLN   3          1HB       GLN   3 -20.270   6.508   2.209
  248   2HB   GLN   3          2HB       GLN   3 -19.628   6.231   3.828
  249   1HG   GLN   3          1HG       GLN   3 -19.678   8.616   3.040
  250   2HG   GLN   3          2HG       GLN   3 -18.123   8.035   3.633
  251   1HE2  GLN   3          1HE2      GLN   3 -16.524   9.121   0.791
  252   2HE2  GLN   3          2HE2      GLN   3 -16.574   8.926   2.511
  253    H    ALA   4           H        ALA   4 -18.236   4.177   4.367
  254    HA   ALA   4           HA       ALA   4 -15.970   5.298   5.581
  255   1HB   ALA   4          1HB       ALA   4 -17.754   3.985   6.715
  256   2HB   ALA   4          2HB       ALA   4 -17.059   2.528   6.004
  257   3HB   ALA   4          3HB       ALA   4 -16.114   3.492   7.140
  258    H    LEU   5           H        LEU   5 -16.380   2.404   3.580
  259    HA   LEU   5           HA       LEU   5 -13.690   1.536   3.767
  260   1HB   LEU   5          1HB       LEU   5 -15.836   0.953   1.732
  261   2HB   LEU   5          2HB       LEU   5 -14.269   0.167   1.743
  262    HG   LEU   5           HG       LEU   5 -16.294   0.019   3.977
  263   1HD1  LEU   5          1HD1      LEU   5 -15.745  -1.681   1.607
  264   2HD1  LEU   5          2HD1      LEU   5 -16.133  -2.480   3.130
  265   3HD1  LEU   5          3HD1      LEU   5 -17.270  -1.333   2.423
  266   1HD2  LEU   5          1HD2      LEU   5 -13.477  -0.730   3.752
  267   2HD2  LEU   5          2HD2      LEU   5 -14.485  -0.525   5.184
  268   3HD2  LEU   5          3HD2      LEU   5 -14.524  -2.045   4.287
  269    H    LYS   6           H        LYS   6 -15.329   3.767   1.608
  270    HA   LYS   6           HA       LYS   6 -13.335   3.897  -0.382
  271   1HB   LYS   6          1HB       LYS   6 -15.391   5.913   0.537
  272   2HB   LYS   6          2HB       LYS   6 -14.336   6.179  -0.844
  273   1HG   LYS   6          1HG       LYS   6 -15.344   4.485  -2.094
  274   2HG   LYS   6          2HG       LYS   6 -16.073   3.745  -0.669
  275   1HD   LYS   6          1HD       LYS   6 -17.749   4.904  -2.010
  276   2HD   LYS   6          2HD       LYS   6 -17.566   5.660  -0.429
  277   1HE   LYS   6          1HE       LYS   6 -16.074   7.344  -1.469
  278   2HE   LYS   6          2HE       LYS   6 -16.429   6.632  -3.045
  279   1HZ   LYS   6          1HZ       LYS   6 -18.775   7.132  -2.685
  280   2HZ   LYS   6          2HZ       LYS   6 -18.410   7.838  -1.187
  281   3HZ   LYS   6          3HZ       LYS   6 -17.835   8.542  -2.618
  282    H    LYS   7           H        LYS   7 -13.818   5.620   2.655
  283    HA   LYS   7           HA       LYS   7 -11.621   7.400   2.309
  284   1HB   LYS   7          1HB       LYS   7 -12.720   6.505   4.972
  285   2HB   LYS   7          2HB       LYS   7 -11.927   8.025   4.586
  286   1HG   LYS   7          1HG       LYS   7 -14.704   7.131   3.909
  287   2HG   LYS   7          2HG       LYS   7 -14.184   8.566   4.789
  288   1HD   LYS   7          1HD       LYS   7 -13.716   8.059   1.850
  289   2HD   LYS   7          2HD       LYS   7 -15.004   9.068   2.513
  290   1HE   LYS   7          1HE       LYS   7 -12.060   9.555   2.956
  291   2HE   LYS   7          2HE       LYS   7 -13.025  10.349   1.715
  292   1HZ   LYS   7          1HZ       LYS   7 -14.504  10.867   3.850
  293   2HZ   LYS   7          2HZ       LYS   7 -12.978  10.784   4.591
  294   3HZ   LYS   7          3HZ       LYS   7 -13.250  11.884   3.328
  295    H    ARG   8           H        ARG   8 -12.034   4.197   3.608
  296    HA   ARG   8           HA       ARG   8  -9.521   3.899   4.858
  297   1HB   ARG   8          1HB       ARG   8 -11.437   2.372   5.211
  298   2HB   ARG   8          2HB       ARG   8 -11.283   1.813   3.551
  299   1HG   ARG   8          1HG       ARG   8 -10.290   0.184   4.946
  300   2HG   ARG   8          2HG       ARG   8  -8.978   1.030   4.123
  301   1HD   ARG   8          1HD       ARG   8  -8.531   2.346   6.085
  302   2HD   ARG   8          2HD       ARG   8  -9.942   1.672   6.897
  303    HE   ARG   8           HE       ARG   8  -7.347   0.512   6.734
  304   1HH1  ARG   8          1HH1      ARG   8 -10.761  -0.237   6.987
  305   2HH1  ARG   8          2HH1      ARG   8 -10.502  -1.870   7.516
  306   1HH2  ARG   8          1HH2      ARG   8  -6.994  -1.621   7.467
  307   2HH2  ARG   8          2HH2      ARG   8  -8.364  -2.651   7.819
  308    H    VAL   9           H        VAL   9 -10.727   3.175   1.620
  309    HA   VAL   9           HA       VAL   9  -8.413   2.046   0.540
  310    HB   VAL   9           HB       VAL   9 -10.631   3.607  -0.798
  311   1HG1  VAL   9          1HG1      VAL   9  -8.242   2.236  -1.951
  312   2HG1  VAL   9          2HG1      VAL   9  -9.761   2.260  -2.846
  313   3HG1  VAL   9          3HG1      VAL   9  -8.974   3.776  -2.398
  314   1HG2  VAL   9          1HG2      VAL   9 -10.096   0.653  -0.509
  315   2HG2  VAL   9          2HG2      VAL   9 -11.416   1.576   0.213
  316   3HG2  VAL   9          3HG2      VAL   9 -11.353   1.346  -1.534
  317    H    GLN  10           H        GLN  10  -9.558   5.410   0.512
  318    HA   GLN  10           HA       GLN  10  -7.433   6.535  -0.920
  319   1HB   GLN  10          1HB       GLN  10  -9.211   7.743   1.202
  320   2HB   GLN  10          2HB       GLN  10  -8.115   8.675   0.192
  321   1HG   GLN  10          1HG       GLN  10 -10.369   6.976  -0.852
  322   2HG   GLN  10          2HG       GLN  10 -10.469   8.713  -0.567
  323   1HE2  GLN  10          1HE2      GLN  10  -9.219   9.508  -3.665
  324   2HE2  GLN  10          2HE2      GLN  10 -10.142   9.924  -2.267
  325    H    ALA  11           H        ALA  11  -7.851   6.095   2.573
  326    HA   ALA  11           HA       ALA  11  -5.508   7.400   3.400
  327   1HB   ALA  11          1HB       ALA  11  -7.617   6.138   4.646
  328   2HB   ALA  11          2HB       ALA  11  -6.236   5.126   5.060
  329   3HB   ALA  11          3HB       ALA  11  -6.213   6.847   5.445
  330    H    LEU  12           H        LEU  12  -6.140   4.008   2.654
  331    HA   LEU  12           HA       LEU  12  -3.568   3.036   3.249
  332   1HB   LEU  12          1HB       LEU  12  -5.778   2.014   1.496
  333   2HB   LEU  12          2HB       LEU  12  -4.271   1.149   1.690
  334    HG   LEU  12           HG       LEU  12  -5.993   1.895   4.040
  335   1HD1  LEU  12          1HD1      LEU  12  -6.155  -0.468   2.204
  336   2HD1  LEU  12          2HD1      LEU  12  -6.624  -0.595   3.900
  337   3HD1  LEU  12          3HD1      LEU  12  -7.456   0.540   2.837
  338   1HD2  LEU  12          1HD2      LEU  12  -3.541   0.311   3.554
  339   2HD2  LEU  12          2HD2      LEU  12  -4.008   1.278   4.952
  340   3HD2  LEU  12          3HD2      LEU  12  -4.694  -0.332   4.724
  341    H    LYS  13           H        LYS  13  -5.074   3.855   0.118
  342    HA   LYS  13           HA       LYS  13  -2.849   3.344  -1.488
  343   1HB   LYS  13          1HB       LYS  13  -5.279   5.050  -1.764
  344   2HB   LYS  13          2HB       LYS  13  -3.973   5.295  -2.913
  345   1HG   LYS  13          1HG       LYS  13  -5.761   3.729  -3.673
  346   2HG   LYS  13          2HG       LYS  13  -4.130   3.055  -3.700
  347   1HD   LYS  13          1HD       LYS  13  -4.537   1.801  -1.714
  348   2HD   LYS  13          2HD       LYS  13  -6.062   2.639  -1.424
  349   1HE   LYS  13          1HE       LYS  13  -6.462   0.413  -2.300
  350   2HE   LYS  13          2HE       LYS  13  -6.995   1.637  -3.448
  351   1HZ   LYS  13          1HZ       LYS  13  -4.801   1.293  -4.590
  352   2HZ   LYS  13          2HZ       LYS  13  -4.571  -0.062  -3.599
  353   3HZ   LYS  13          3HZ       LYS  13  -5.884  -0.010  -4.669
  354    H    ALA  14           H        ALA  14  -3.681   6.234   0.371
  355    HA   ALA  14           HA       ALA  14  -1.686   7.930  -0.693
  356   1HB   ALA  14          1HB       ALA  14  -3.515   7.960   1.587
  357   2HB   ALA  14          2HB       ALA  14  -1.982   8.772   1.909
  358   3HB   ALA  14          3HB       ALA  14  -2.980   9.280   0.547
  359    H    ARG  15           H        ARG  15  -1.701   5.632   1.987
  360    HA   ARG  15           HA       ARG  15   0.992   6.184   2.815
  361   1HB   ARG  15          1HB       ARG  15  -0.924   3.915   3.362
  362   2HB   ARG  15          2HB       ARG  15   0.704   3.949   4.020
  363   1HG   ARG  15          1HG       ARG  15  -1.321   6.115   4.494
  364   2HG   ARG  15          2HG       ARG  15  -1.097   4.727   5.560
  365   1HD   ARG  15          1HD       ARG  15   1.007   6.763   4.841
  366   2HD   ARG  15          2HD       ARG  15   0.121   6.666   6.358
  367    HE   ARG  15           HE       ARG  15   1.272   4.206   6.104
  368   1HH1  ARG  15          1HH1      ARG  15   2.528   7.486   6.034
  369   2HH1  ARG  15          2HH1      ARG  15   4.009   7.055   6.837
  370   1HH2  ARG  15          1HH2      ARG  15   3.195   3.659   7.199
  371   2HH2  ARG  15          2HH2      ARG  15   4.392   4.889   7.504
  372    H    ASN  16           H        ASN  16  -0.594   3.701   0.900
  373    HA   ASN  16           HA       ASN  16   1.585   2.059   0.377
  374   1HB   ASN  16          1HB       ASN  16  -1.019   2.620  -0.996
  375   2HB   ASN  16          2HB       ASN  16   0.149   1.557  -1.753
  376   1HD2  ASN  16          1HD2      ASN  16  -1.009  -1.133   0.061
  377   2HD2  ASN  16          2HD2      ASN  16  -0.445  -0.478  -1.435
  378    H    TYR  17           H        TYR  17   0.389   4.913  -1.294
  379    HA   TYR  17           HA       TYR  17   2.096   4.794  -3.521
  380   1HB   TYR  17          1HB       TYR  17   0.017   6.252  -3.128
  381   2HB   TYR  17          2HB       TYR  17   1.099   7.351  -2.282
  382    HD1  TYR  17           HD1      TYR  17   1.115   5.451  -5.511
  383    HD2  TYR  17           HD2      TYR  17   1.801   9.153  -3.531
  384    HE1  TYR  17           HE1      TYR  17   1.714   6.482  -7.660
  385    HE2  TYR  17           HE2      TYR  17   2.404  10.196  -5.677
  386    HH   TYR  17           HH       TYR  17   3.384   8.839  -8.168
  387    H    ALA  18           H        ALA  18   2.416   6.565  -0.436
  388    HA   ALA  18           HA       ALA  18   4.969   7.652  -1.030
  389   1HB   ALA  18          1HB       ALA  18   3.526   7.195   1.568
  390   2HB   ALA  18          2HB       ALA  18   5.125   7.932   1.484
  391   3HB   ALA  18          3HB       ALA  18   3.752   8.710   0.695
  392    H    ALA  19           H        ALA  19   3.913   4.722   0.627
  393    HA   ALA  19           HA       ALA  19   6.420   3.873   1.545
  394   1HB   ALA  19          1HB       ALA  19   3.803   2.913   1.649
  395   2HB   ALA  19          2HB       ALA  19   4.738   1.641   0.862
  396   3HB   ALA  19          3HB       ALA  19   5.224   2.239   2.448
  397    H    LYS  20           H        LYS  20   4.770   3.317  -1.553
  398    HA   LYS  20           HA       LYS  20   6.646   1.460  -2.553
  399   1HB   LYS  20          1HB       LYS  20   4.625   3.260  -3.829
  400   2HB   LYS  20          2HB       LYS  20   5.774   2.384  -4.831
  401   1HG   LYS  20          1HG       LYS  20   5.011   0.276  -3.831
  402   2HG   LYS  20          2HG       LYS  20   3.823   1.175  -2.885
  403   1HD   LYS  20          1HD       LYS  20   2.624   1.818  -4.800
  404   2HD   LYS  20          2HD       LYS  20   3.942   1.348  -5.879
  405   1HE   LYS  20          1HE       LYS  20   3.596  -1.018  -5.109
  406   2HE   LYS  20          2HE       LYS  20   2.152  -0.459  -4.265
  407   1HZ   LYS  20          1HZ       LYS  20   2.149   0.412  -6.969
  408   2HZ   LYS  20          2HZ       LYS  20   2.326  -1.274  -6.888
  409   3HZ   LYS  20          3HZ       LYS  20   1.003  -0.524  -6.143
  410    H    GLN  21           H        GLN  21   6.430   4.984  -2.829
  411    HA   GLN  21           HA       GLN  21   8.758   5.260  -4.449
  412   1HB   GLN  21          1HB       GLN  21   7.031   7.113  -2.860
  413   2HB   GLN  21          2HB       GLN  21   8.629   7.675  -3.329
  414   1HG   GLN  21          1HG       GLN  21   6.873   8.363  -4.902
  415   2HG   GLN  21          2HG       GLN  21   8.118   7.372  -5.655
  416   1HE2  GLN  21          1HE2      GLN  21   4.276   6.306  -5.815
  417   2HE2  GLN  21          2HE2      GLN  21   4.833   7.801  -5.159
  418    H    LYS  22           H        LYS  22   8.182   4.773  -1.115
  419    HA   LYS  22           HA       LYS  22  10.745   5.676  -0.171
  420   1HB   LYS  22          1HB       LYS  22   8.288   4.865   0.974
  421   2HB   LYS  22          2HB       LYS  22   9.487   3.710   1.527
  422   1HG   LYS  22          1HG       LYS  22   9.823   6.686   1.778
  423   2HG   LYS  22          2HG       LYS  22   9.106   5.672   3.031
  424   1HD   LYS  22          1HD       LYS  22  11.186   4.323   3.075
  425   2HD   LYS  22          2HD       LYS  22  11.899   5.433   1.905
  426   1HE   LYS  22          1HE       LYS  22  11.705   7.263   3.471
  427   2HE   LYS  22          2HE       LYS  22  10.872   6.223   4.624
  428   1HZ   LYS  22          1HZ       LYS  22  13.238   4.936   4.060
  429   2HZ   LYS  22          2HZ       LYS  22  13.666   6.568   4.213
  430   3HZ   LYS  22          3HZ       LYS  22  12.855   5.781   5.473
  431    H    VAL  23           H        VAL  23   9.175   2.585  -0.841
  432    HA   VAL  23           HA       VAL  23  11.312   0.877  -0.247
  433    HB   VAL  23           HB       VAL  23   9.123   0.540  -2.310
  434   1HG1  VAL  23          1HG1      VAL  23  11.439  -0.925  -2.166
  435   2HG1  VAL  23          2HG1      VAL  23  10.311  -1.886  -1.213
  436   3HG1  VAL  23          3HG1      VAL  23   9.920  -1.465  -2.880
  437   1HG2  VAL  23          1HG2      VAL  23   8.870   0.635   0.413
  438   2HG2  VAL  23          2HG2      VAL  23   7.769  -0.201  -0.682
  439   3HG2  VAL  23          3HG2      VAL  23   9.062  -1.094   0.116
  440    H    GLN  24           H        GLN  24  10.369   2.423  -3.316
  441    HA   GLN  24           HA       GLN  24  12.492   1.305  -4.799
  442   1HB   GLN  24          1HB       GLN  24  11.919   2.832  -6.559
  443   2HB   GLN  24          2HB       GLN  24  10.436   2.245  -5.826
  444   1HG   GLN  24          1HG       GLN  24  10.186   4.304  -4.611
  445   2HG   GLN  24          2HG       GLN  24  11.715   4.900  -5.253
  446   1HE2  GLN  24          1HE2      GLN  24   9.574   4.411  -8.517
  447   2HE2  GLN  24          2HE2      GLN  24  10.446   3.172  -7.685
  448    H    ALA  25           H        ALA  25  12.201   4.327  -2.990
  449    HA   ALA  25           HA       ALA  25  14.690   5.430  -3.852
  450   1HB   ALA  25          1HB       ALA  25  12.722   6.002  -1.719
  451   2HB   ALA  25          2HB       ALA  25  14.381   6.482  -1.368
  452   3HB   ALA  25          3HB       ALA  25  13.568   7.101  -2.806
  453    H    LEU  26           H        LEU  26  13.732   3.413  -1.112
  454    HA   LEU  26           HA       LEU  26  16.339   3.263  -0.001
  455   1HB   LEU  26          1HB       LEU  26  14.004   1.353   0.209
  456   2HB   LEU  26          2HB       LEU  26  15.456   1.260   1.184
  457    HG   LEU  26           HG       LEU  26  13.512   3.566   1.207
  458   1HD1  LEU  26          1HD1      LEU  26  13.759   1.102   2.857
  459   2HD1  LEU  26          2HD1      LEU  26  13.198   2.600   3.599
  460   3HD1  LEU  26          3HD1      LEU  26  12.315   1.906   2.239
  461   1HD2  LEU  26          1HD2      LEU  26  16.199   3.324   2.095
  462   2HD2  LEU  26          2HD2      LEU  26  15.093   4.681   2.300
  463   3HD2  LEU  26          3HD2      LEU  26  15.152   3.401   3.513
  464    H    ARG  27           H        ARG  27  14.690   1.627  -2.597
  465    HA   ARG  27           HA       ARG  27  16.426  -0.595  -2.814
  466   1HB   ARG  27          1HB       ARG  27  14.107   0.194  -4.095
  467   2HB   ARG  27          2HB       ARG  27  15.324   0.354  -5.355
  468   1HG   ARG  27          1HG       ARG  27  14.487  -1.825  -5.570
  469   2HG   ARG  27          2HG       ARG  27  16.046  -2.002  -4.762
  470   1HD   ARG  27          1HD       ARG  27  14.755  -1.983  -2.582
  471   2HD   ARG  27          2HD       ARG  27  13.296  -2.150  -3.553
  472    HE   ARG  27           HE       ARG  27  15.190  -4.153  -4.241
  473   1HH1  ARG  27          1HH1      ARG  27  12.871  -3.251  -1.785
  474   2HH1  ARG  27          2HH1      ARG  27  12.625  -4.877  -1.214
  475   1HH2  ARG  27          1HH2      ARG  27  14.879  -6.303  -3.514
  476   2HH2  ARG  27          2HH2      ARG  27  13.775  -6.616  -2.209
  477    H    HIS  28           H        HIS  28  16.482   2.683  -4.224
  478    HA   HIS  28           HA       HIS  28  18.832   2.178  -5.752
  479   1HB   HIS  28          1HB       HIS  28  18.342   4.877  -4.828
  480   2HB   HIS  28          2HB       HIS  28  18.740   4.291  -6.399
  481    HD1  HIS  28           HD1      HIS  28  16.283   3.068  -7.514
  482    HD2  HIS  28           HD2      HIS  28  16.279   6.090  -4.687
  483    HE1  HIS  28           HE1      HIS  28  14.065   4.272  -7.803
  484    H    LYS  29           H        LYS  29  18.048   4.247  -3.093
  485    HA   LYS  29           HA       LYS  29  20.482   5.136  -2.381
  486   1HB   LYS  29          1HB       LYS  29  18.429   6.084  -1.544
  487   2HB   LYS  29          2HB       LYS  29  18.083   4.622  -0.636
  488   1HG   LYS  29          1HG       LYS  29  20.100   5.059   0.742
  489   2HG   LYS  29          2HG       LYS  29  20.307   6.584  -0.122
  490   1HD   LYS  29          1HD       LYS  29  18.244   7.432   0.713
  491   2HD   LYS  29          2HD       LYS  29  17.787   5.855   1.360
  492   1HE   LYS  29          1HE       LYS  29  18.529   7.307   3.151
  493   2HE   LYS  29          2HE       LYS  29  19.666   5.978   2.943
  494   1HZ   LYS  29          1HZ       LYS  29  20.096   8.629   1.689
  495   2HZ   LYS  29          2HZ       LYS  29  20.631   8.275   3.259
  496   3HZ   LYS  29          3HZ       LYS  29  21.229   7.391   1.940
  497    H    CYS  30           H        CYS  30  19.126   2.015  -1.713
  498    HA   CYS  30           HA       CYS  30  21.553   1.323  -0.195
  499   1HB   CYS  30          1HB       CYS  30  18.763   0.660   0.745
  500   2HB   CYS  30          2HB       CYS  30  20.264   0.184   1.533
  501    H    GLY  31           H        GLY  31  18.580  -0.045  -1.648
  502   1HA   GLY  31          1HA       GLY  31  19.215  -2.716  -1.636
  503   2HA   GLY  31          2HA       GLY  31  18.278  -1.944  -2.900
  504   1HN   NH2  32          1HN       NH2  32  20.485  -0.283  -3.809
  505   2HN   NH2  32          2HN       NH2  32  21.596  -1.331  -4.632
  Start of MODEL   18
    1   1H    ACE   0          1H        ACE   0 -18.963   1.034  -5.601
    2   2H    ACE   0          2H        ACE   0 -18.539  -0.593  -6.140
    3   3H    ACE   0          3H        ACE   0 -17.462   0.286  -5.050
    4    H    GLU   1           H        GLU   1 -19.060  -2.323  -4.876
    5    HA   GLU   1           HA       GLU   1 -20.956  -1.906  -2.770
    6   1HB   GLU   1          1HB       GLU   1 -21.236  -3.767  -4.306
    7   2HB   GLU   1          2HB       GLU   1 -19.665  -4.412  -3.861
    8   1HG   GLU   1          1HG       GLU   1 -21.350  -5.723  -2.806
    9   2HG   GLU   1          2HG       GLU   1 -20.519  -4.781  -1.568
   10    H    VAL   2           H        VAL   2 -20.755  -2.828  -0.614
   11    HA   VAL   2           HA       VAL   2 -18.509  -1.982   0.798
   12    HB   VAL   2           HB       VAL   2 -20.332  -4.219   1.683
   13   1HG1  VAL   2          1HG1      VAL   2 -18.146  -3.013   2.906
   14   2HG1  VAL   2          2HG1      VAL   2 -19.553  -2.286   3.675
   15   3HG1  VAL   2          3HG1      VAL   2 -19.361  -4.040   3.671
   16   1HG2  VAL   2          1HG2      VAL   2 -21.266  -1.830   0.820
   17   2HG2  VAL   2          2HG2      VAL   2 -22.037  -2.803   2.072
   18   3HG2  VAL   2          3HG2      VAL   2 -20.968  -1.477   2.524
   19    H    ALA   3           H        ALA   3 -19.386  -5.269  -0.249
   20    HA   ALA   3           HA       ALA   3 -17.194  -6.637   0.792
   21   1HB   ALA   3          1HB       ALA   3 -19.409  -7.331  -0.629
   22   2HB   ALA   3          2HB       ALA   3 -18.123  -7.628  -1.799
   23   3HB   ALA   3          3HB       ALA   3 -18.084  -8.421  -0.223
   24    H    GLN   4           H        GLN   4 -17.544  -4.914  -2.270
   25    HA   GLN   4           HA       GLN   4 -15.106  -5.703  -3.451
   26   1HB   GLN   4          1HB       GLN   4 -16.652  -3.132  -3.765
   27   2HB   GLN   4          2HB       GLN   4 -15.374  -3.680  -4.841
   28   1HG   GLN   4          1HG       GLN   4 -17.984  -5.108  -4.374
   29   2HG   GLN   4          2HG       GLN   4 -17.611  -4.079  -5.758
   30   1HE2  GLN   4          1HE2      GLN   4 -16.117  -6.609  -7.559
   31   2HE2  GLN   4          2HE2      GLN   4 -16.826  -5.030  -7.489
   32    H    LEU   5           H        LEU   5 -16.015  -2.920  -1.497
   33    HA   LEU   5           HA       LEU   5 -13.485  -1.686  -1.458
   34   1HB   LEU   5          1HB       LEU   5 -15.877  -1.510   0.353
   35   2HB   LEU   5          2HB       LEU   5 -14.450  -0.507   0.562
   36    HG   LEU   5           HG       LEU   5 -16.151  -0.547  -1.934
   37   1HD1  LEU   5          1HD1      LEU   5 -16.324   0.995   0.586
   38   2HD1  LEU   5          2HD1      LEU   5 -16.580   1.867  -0.924
   39   3HD1  LEU   5          3HD1      LEU   5 -17.596   0.481  -0.523
   40   1HD2  LEU   5          1HD2      LEU   5 -13.550   0.404  -1.456
   41   2HD2  LEU   5          2HD2      LEU   5 -14.567   0.697  -2.865
   42   3HD2  LEU   5          3HD2      LEU   5 -14.598   1.821  -1.507
   43    H    GLU   6           H        GLU   6 -15.012  -4.134   0.554
   44    HA   GLU   6           HA       GLU   6 -13.169  -4.165   2.682
   45   1HB   GLU   6          1HB       GLU   6 -14.975  -6.261   1.486
   46   2HB   GLU   6          2HB       GLU   6 -13.888  -6.652   2.810
   47   1HG   GLU   6          1HG       GLU   6 -15.807  -4.368   3.015
   48   2HG   GLU   6          2HG       GLU   6 -16.314  -6.024   3.347
   49    H    LYS   7           H        LYS   7 -13.224  -5.803  -0.451
   50    HA   LYS   7           HA       LYS   7 -10.882  -7.364  -0.090
   51   1HB   LYS   7          1HB       LYS   7 -12.008  -6.238  -2.665
   52   2HB   LYS   7          2HB       LYS   7 -10.881  -7.577  -2.524
   53   1HG   LYS   7          1HG       LYS   7 -12.541  -8.969  -1.530
   54   2HG   LYS   7          2HG       LYS   7 -13.673  -7.619  -1.398
   55   1HD   LYS   7          1HD       LYS   7 -13.656  -7.423  -3.869
   56   2HD   LYS   7          2HD       LYS   7 -12.615  -8.845  -3.939
   57   1HE   LYS   7          1HE       LYS   7 -14.340 -10.198  -2.910
   58   2HE   LYS   7          2HE       LYS   7 -15.383  -8.785  -2.747
   59   1HZ   LYS   7          1HZ       LYS   7 -14.382  -9.765  -5.362
   60   2HZ   LYS   7          2HZ       LYS   7 -15.860 -10.261  -4.696
   61   3HZ   LYS   7          3HZ       LYS   7 -15.613  -8.630  -5.081
   62    H    GLU   8           H        GLU   8 -11.525  -4.158  -1.331
   63    HA   GLU   8           HA       GLU   8  -8.924  -3.531  -2.232
   64   1HB   GLU   8          1HB       GLU   8 -11.083  -2.367  -2.821
   65   2HB   GLU   8          2HB       GLU   8 -11.053  -1.632  -1.225
   66   1HG   GLU   8          1HG       GLU   8 -10.239  -0.066  -2.794
   67   2HG   GLU   8          2HG       GLU   8  -8.880  -0.600  -1.802
   68    H    VAL   9           H        VAL   9 -10.629  -2.891   0.811
   69    HA   VAL   9           HA       VAL   9  -8.564  -1.441   2.063
   70    HB   VAL   9           HB       VAL   9 -10.832  -3.069   3.235
   71   1HG1  VAL   9          1HG1      VAL   9  -8.733  -1.398   4.585
   72   2HG1  VAL   9          2HG1      VAL   9 -10.319  -1.651   5.310
   73   3HG1  VAL   9          3HG1      VAL   9  -9.269  -3.031   4.987
   74   1HG2  VAL   9          1HG2      VAL   9 -10.539  -0.343   2.233
   75   2HG2  VAL   9          2HG2      VAL   9 -11.993  -1.299   2.518
   76   3HG2  VAL   9          3HG2      VAL   9 -11.236  -0.426   3.851
   77    H    ALA  10           H        ALA  10  -9.446  -4.870   2.132
   78    HA   ALA  10           HA       ALA  10  -7.369  -5.698   3.843
   79   1HB   ALA  10          1HB       ALA  10  -9.485  -6.928   2.403
   80   2HB   ALA  10          2HB       ALA  10  -7.995  -7.804   2.051
   81   3HB   ALA  10          3HB       ALA  10  -8.520  -7.592   3.722
   82    H    GLN  11           H        GLN  11  -7.528  -5.109   0.410
   83    HA   GLN  11           HA       GLN  11  -5.120  -6.421  -0.317
   84   1HB   GLN  11          1HB       GLN  11  -7.116  -5.503  -1.792
   85   2HB   GLN  11          2HB       GLN  11  -6.164  -4.026  -1.786
   86   1HG   GLN  11          1HG       GLN  11  -5.660  -5.276  -3.761
   87   2HG   GLN  11          2HG       GLN  11  -4.252  -5.265  -2.703
   88   1HE2  GLN  11          1HE2      GLN  11  -6.108  -8.806  -2.204
   89   2HE2  GLN  11          2HE2      GLN  11  -6.789  -7.304  -1.672
   90    H    ALA  12           H        ALA  12  -5.983  -3.090   0.480
   91    HA   ALA  12           HA       ALA  12  -3.396  -2.012   0.117
   92   1HB   ALA  12          1HB       ALA  12  -5.965  -1.050   0.845
   93   2HB   ALA  12          2HB       ALA  12  -4.779  -0.453   2.007
   94   3HB   ALA  12          3HB       ALA  12  -4.559  -0.145   0.284
   95    H    GLU  13           H        GLU  13  -5.157  -3.133   2.977
   96    HA   GLU  13           HA       GLU  13  -3.171  -2.477   4.845
   97   1HB   GLU  13          1HB       GLU  13  -5.373  -4.529   4.879
   98   2HB   GLU  13          2HB       GLU  13  -4.346  -4.204   6.273
   99   1HG   GLU  13          1HG       GLU  13  -5.087  -1.760   5.944
  100   2HG   GLU  13          2HG       GLU  13  -6.371  -2.444   4.951
  101    H    ALA  14           H        ALA  14  -3.673  -5.313   2.819
  102    HA   ALA  14           HA       ALA  14  -1.707  -6.954   4.036
  103   1HB   ALA  14          1HB       ALA  14  -3.533  -7.240   1.958
  104   2HB   ALA  14          2HB       ALA  14  -1.956  -7.394   1.181
  105   3HB   ALA  14          3HB       ALA  14  -2.386  -8.454   2.524
  106    H    GLU  15           H        GLU  15  -1.628  -4.738   1.254
  107    HA   GLU  15           HA       GLU  15   1.096  -5.063   0.610
  108   1HB   GLU  15          1HB       GLU  15  -0.678  -2.638   0.284
  109   2HB   GLU  15          2HB       GLU  15   0.923  -2.793  -0.415
  110   1HG   GLU  15          1HG       GLU  15   0.175  -4.628  -1.792
  111   2HG   GLU  15          2HG       GLU  15  -1.420  -4.558  -1.042
  112    H    ASN  16           H        ASN  16  -0.567  -2.575   2.488
  113    HA   ASN  16           HA       ASN  16   1.513  -1.035   3.361
  114   1HB   ASN  16          1HB       ASN  16  -1.042  -0.863   3.778
  115   2HB   ASN  16          2HB       ASN  16  -0.717  -1.808   5.225
  116   1HD2  ASN  16          1HD2      ASN  16  -0.343   2.091   5.378
  117   2HD2  ASN  16          2HD2      ASN  16  -1.255   1.194   4.205
  118    H    TYR  17           H        TYR  17   0.280  -3.961   4.936
  119    HA   TYR  17           HA       TYR  17   2.018  -4.004   7.131
  120   1HB   TYR  17          1HB       TYR  17  -0.060  -5.411   6.753
  121   2HB   TYR  17          2HB       TYR  17   0.911  -6.421   5.693
  122    HD1  TYR  17           HD1      TYR  17   2.729  -5.122   8.514
  123    HD2  TYR  17           HD2      TYR  17   0.129  -8.244   7.257
  124    HE1  TYR  17           HE1      TYR  17   3.429  -6.473  10.446
  125    HE2  TYR  17           HE2      TYR  17   0.816  -9.600   9.185
  126    HH   TYR  17           HH       TYR  17   3.518  -9.043  10.969
  127    H    GLN  18           H        GLN  18   2.367  -5.293   3.861
  128    HA   GLN  18           HA       GLN  18   4.873  -6.574   4.424
  129   1HB   GLN  18          1HB       GLN  18   3.450  -5.997   1.821
  130   2HB   GLN  18          2HB       GLN  18   4.936  -6.931   1.950
  131   1HG   GLN  18          1HG       GLN  18   3.828  -8.606   3.278
  132   2HG   GLN  18          2HG       GLN  18   2.356  -7.641   3.328
  133   1HE2  GLN  18          1HE2      GLN  18   2.803 -10.296   0.459
  134   2HE2  GLN  18          2HE2      GLN  18   3.658 -10.267   1.965
  135    H    LEU  19           H        LEU  19   3.871  -3.466   3.169
  136    HA   LEU  19           HA       LEU  19   6.349  -2.674   2.048
  137   1HB   LEU  19          1HB       LEU  19   4.324  -0.842   3.334
  138   2HB   LEU  19          2HB       LEU  19   5.517  -0.416   2.126
  139    HG   LEU  19           HG       LEU  19   3.031  -2.067   1.737
  140   1HD1  LEU  19          1HD1      LEU  19   3.831   0.705   1.184
  141   2HD1  LEU  19          2HD1      LEU  19   2.970  -0.116  -0.115
  142   3HD1  LEU  19          3HD1      LEU  19   2.235   0.018   1.485
  143   1HD2  LEU  19          1HD2      LEU  19   5.449  -2.351   0.338
  144   2HD2  LEU  19          2HD2      LEU  19   3.869  -3.015  -0.077
  145   3HD2  LEU  19          3HD2      LEU  19   4.358  -1.447  -0.716
  146    H    GLU  20           H        GLU  20   4.930  -2.223   5.269
  147    HA   GLU  20           HA       GLU  20   7.065  -0.760   6.363
  148   1HB   GLU  20          1HB       GLU  20   4.965  -2.514   7.621
  149   2HB   GLU  20          2HB       GLU  20   6.167  -1.655   8.576
  150   1HG   GLU  20          1HG       GLU  20   4.135  -0.415   6.733
  151   2HG   GLU  20          2HG       GLU  20   4.091  -0.419   8.495
  152    H    GLN  21           H        GLN  21   6.497  -4.225   6.081
  153    HA   GLN  21           HA       GLN  21   8.654  -5.066   7.704
  154   1HB   GLN  21          1HB       GLN  21   7.207  -6.430   5.431
  155   2HB   GLN  21          2HB       GLN  21   8.455  -7.218   6.383
  156   1HG   GLN  21          1HG       GLN  21   7.105  -6.895   8.400
  157   2HG   GLN  21          2HG       GLN  21   5.849  -6.138   7.422
  158   1HE2  GLN  21          1HE2      GLN  21   4.321  -9.142   6.760
  159   2HE2  GLN  21          2HE2      GLN  21   4.242  -7.427   6.993
  160    H    GLU  22           H        GLU  22   8.334  -4.498   4.226
  161    HA   GLU  22           HA       GLU  22  10.954  -5.242   3.494
  162   1HB   GLU  22          1HB       GLU  22   9.012  -4.978   1.937
  163   2HB   GLU  22          2HB       GLU  22   9.142  -3.236   2.139
  164   1HG   GLU  22          1HG       GLU  22  10.198  -3.787   0.110
  165   2HG   GLU  22          2HG       GLU  22  11.474  -3.397   1.258
  166    H    VAL  23           H        VAL  23   9.481  -2.153   4.389
  167    HA   VAL  23           HA       VAL  23  11.690  -0.494   3.931
  168    HB   VAL  23           HB       VAL  23   9.348  -0.269   5.820
  169   1HG1  VAL  23          1HG1      VAL  23  11.403   0.870   6.754
  170   2HG1  VAL  23          2HG1      VAL  23  11.344   1.933   5.346
  171   3HG1  VAL  23          3HG1      VAL  23  10.000   1.904   6.487
  172   1HG2  VAL  23          1HG2      VAL  23   9.848   0.399   3.078
  173   2HG2  VAL  23          2HG2      VAL  23   8.348   0.526   3.998
  174   3HG2  VAL  23          3HG2      VAL  23   9.496   1.866   3.990
  175    H    ALA  24           H        ALA  24  10.673  -2.233   6.865
  176    HA   ALA  24           HA       ALA  24  12.736  -1.382   8.560
  177   1HB   ALA  24          1HB       ALA  24  10.985  -3.806   8.493
  178   2HB   ALA  24          2HB       ALA  24  12.299  -3.695   9.665
  179   3HB   ALA  24          3HB       ALA  24  11.020  -2.481   9.659
  180    H    GLN  25           H        GLN  25  12.546  -4.060   6.284
  181    HA   GLN  25           HA       GLN  25  14.995  -5.286   6.912
  182   1HB   GLN  25          1HB       GLN  25  13.150  -6.260   5.502
  183   2HB   GLN  25          2HB       GLN  25  13.675  -5.206   4.196
  184   1HG   GLN  25          1HG       GLN  25  14.644  -7.301   3.772
  185   2HG   GLN  25          2HG       GLN  25  15.943  -6.282   4.394
  186   1HE2  GLN  25          1HE2      GLN  25  16.739  -8.528   6.887
  187   2HE2  GLN  25          2HE2      GLN  25  17.213  -7.248   5.821
  188    H    LEU  26           H        LEU  26  14.190  -3.012   4.272
  189    HA   LEU  26           HA       LEU  26  16.803  -2.746   3.310
  190   1HB   LEU  26          1HB       LEU  26  14.512  -0.793   3.171
  191   2HB   LEU  26          2HB       LEU  26  15.996  -0.661   2.244
  192    HG   LEU  26           HG       LEU  26  14.011  -2.928   2.039
  193   1HD1  LEU  26          1HD1      LEU  26  13.548  -0.508   1.079
  194   2HD1  LEU  26          2HD1      LEU  26  14.617  -1.079  -0.202
  195   3HD1  LEU  26          3HD1      LEU  26  13.139  -1.965   0.167
  196   1HD2  LEU  26          1HD2      LEU  26  16.619  -2.377   0.642
  197   2HD2  LEU  26          2HD2      LEU  26  16.147  -3.811   1.556
  198   3HD2  LEU  26          3HD2      LEU  26  15.397  -3.474  -0.001
  199    H    GLU  27           H        GLU  27  15.100  -0.877   5.806
  200    HA   GLU  27           HA       GLU  27  17.085   1.094   6.196
  201   1HB   GLU  27          1HB       GLU  27  14.992  -0.091   8.018
  202   2HB   GLU  27          2HB       GLU  27  16.100   1.158   8.571
  203   1HG   GLU  27          1HG       GLU  27  14.409   1.543   6.131
  204   2HG   GLU  27          2HG       GLU  27  13.776   1.843   7.747
  205    H    HIS  28           H        HIS  28  16.631  -2.128   7.454
  206    HA   HIS  28           HA       HIS  28  18.786  -2.073   9.320
  207   1HB   HIS  28          1HB       HIS  28  16.950  -3.560   9.708
  208   2HB   HIS  28          2HB       HIS  28  17.117  -4.281   8.116
  209    HD1  HIS  28           HD1      HIS  28  19.703  -3.881  10.921
  210    HD2  HIS  28           HD2      HIS  28  17.857  -6.773   8.571
  211    HE1  HIS  28           HE1      HIS  28  20.786  -6.089  11.527
  212    H    GLU  29           H        GLU  29  18.388  -3.210   5.991
  213    HA   GLU  29           HA       GLU  29  20.939  -4.418   5.738
  214   1HB   GLU  29          1HB       GLU  29  19.199  -3.206   3.582
  215   2HB   GLU  29          2HB       GLU  29  20.551  -4.291   3.313
  216   1HG   GLU  29          1HG       GLU  29  18.029  -5.000   4.791
  217   2HG   GLU  29          2HG       GLU  29  18.377  -5.403   3.110
  218    H    CYS  30           H        CYS  30  19.718  -1.193   5.203
  219    HA   CYS  30           HA       CYS  30  22.126  -0.177   4.036
  220   1HB   CYS  30          1HB       CYS  30  19.824   0.759   3.659
  221   2HB   CYS  30          2HB       CYS  30  19.868   1.383   5.303
  222    H    GLY  31           H        GLY  31  20.578   0.240   7.231
  223   1HA   GLY  31          1HA       GLY  31  23.267   0.753   8.331
  224   2HA   GLY  31          2HA       GLY  31  21.903   1.771   8.772
  225   1HN   NH2  32          1HN       NH2  32  23.690  -0.895   9.622
  226   2HN   NH2  32          2HN       NH2  32  22.587  -1.622  10.741
  227   1H    ACE   0          1H        ACE   0 -20.546  -1.958   7.683
  228   2H    ACE   0          2H        ACE   0 -19.657  -2.608   6.304
  229   3H    ACE   0          3H        ACE   0 -21.375  -2.973   6.499
  230    H    GLU   1           H        GLU   1 -19.659   0.109   6.873
  231    HA   GLU   1           HA       GLU   1 -21.573   1.358   5.080
  232   1HB   GLU   1          1HB       GLU   1 -21.195   2.488   7.173
  233   2HB   GLU   1          2HB       GLU   1 -19.460   2.510   6.897
  234   1HG   GLU   1          1HG       GLU   1 -20.486   4.692   6.514
  235   2HG   GLU   1          2HG       GLU   1 -19.731   4.051   5.057
  236    H    VAL   2           H        VAL   2 -21.151   1.983   3.081
  237    HA   VAL   2           HA       VAL   2 -18.796   1.181   1.741
  238    HB   VAL   2           HB       VAL   2 -21.070   2.989   0.907
  239   1HG1  VAL   2          1HG1      VAL   2 -18.658   3.268  -0.206
  240   2HG1  VAL   2          2HG1      VAL   2 -19.233   1.887  -1.138
  241   3HG1  VAL   2          3HG1      VAL   2 -20.154   3.392  -1.130
  242   1HG2  VAL   2          1HG2      VAL   2 -20.433   0.113   0.681
  243   2HG2  VAL   2          2HG2      VAL   2 -21.995   0.923   0.820
  244   3HG2  VAL   2          3HG2      VAL   2 -21.166   0.870  -0.733
  245    H    GLN   3           H        GLN   3 -20.019   4.388   2.706
  246    HA   GLN   3           HA       GLN   3 -17.860   5.903   1.756
  247   1HB   GLN   3          1HB       GLN   3 -19.991   6.893   2.492
  248   2HB   GLN   3          2HB       GLN   3 -19.636   6.436   4.152
  249   1HG   GLN   3          1HG       GLN   3 -17.655   7.898   4.097
  250   2HG   GLN   3          2HG       GLN   3 -18.101   8.397   2.467
  251   1HE2  GLN   3          1HE2      GLN   3 -19.593  10.319   5.573
  252   2HE2  GLN   3          2HE2      GLN   3 -18.218   9.269   5.600
  253    H    ALA   4           H        ALA   4 -18.386   4.254   4.811
  254    HA   ALA   4           HA       ALA   4 -16.177   5.173   6.248
  255   1HB   ALA   4          1HB       ALA   4 -18.232   3.636   6.878
  256   2HB   ALA   4          2HB       ALA   4 -17.065   2.353   6.569
  257   3HB   ALA   4          3HB       ALA   4 -16.725   3.576   7.793
  258    H    LEU   5           H        LEU   5 -16.489   2.509   3.945
  259    HA   LEU   5           HA       LEU   5 -13.797   1.619   4.370
  260   1HB   LEU   5          1HB       LEU   5 -15.863   0.894   2.313
  261   2HB   LEU   5          2HB       LEU   5 -14.259   0.186   2.353
  262    HG   LEU   5           HG       LEU   5 -16.354  -0.030   4.516
  263   1HD1  LEU   5          1HD1      LEU   5 -16.732  -1.353   2.445
  264   2HD1  LEU   5          2HD1      LEU   5 -15.186  -2.154   2.731
  265   3HD1  LEU   5          3HD1      LEU   5 -16.500  -2.332   3.894
  266   1HD2  LEU   5          1HD2      LEU   5 -13.554  -1.146   4.358
  267   2HD2  LEU   5          2HD2      LEU   5 -14.144   0.058   5.505
  268   3HD2  LEU   5          3HD2      LEU   5 -14.756  -1.596   5.568
  269    H    LYS   6           H        LYS   6 -15.425   3.689   2.019
  270    HA   LYS   6           HA       LYS   6 -13.345   3.809   0.130
  271   1HB   LYS   6          1HB       LYS   6 -15.390   5.908   0.886
  272   2HB   LYS   6          2HB       LYS   6 -14.351   5.992  -0.531
  273   1HG   LYS   6          1HG       LYS   6 -15.353   3.948  -1.402
  274   2HG   LYS   6          2HG       LYS   6 -16.383   3.843   0.025
  275   1HD   LYS   6          1HD       LYS   6 -17.658   4.785  -1.772
  276   2HD   LYS   6          2HD       LYS   6 -17.357   6.044  -0.576
  277   1HE   LYS   6          1HE       LYS   6 -15.590   6.971  -1.935
  278   2HE   LYS   6          2HE       LYS   6 -15.740   5.648  -3.092
  279   1HZ   LYS   6          1HZ       LYS   6 -18.023   7.435  -2.493
  280   2HZ   LYS   6          2HZ       LYS   6 -16.853   7.852  -3.652
  281   3HZ   LYS   6          3HZ       LYS   6 -17.778   6.443  -3.849
  282    H    LYS   7           H        LYS   7 -13.973   5.756   3.037
  283    HA   LYS   7           HA       LYS   7 -11.708   7.443   2.686
  284   1HB   LYS   7          1HB       LYS   7 -13.552   6.853   4.969
  285   2HB   LYS   7          2HB       LYS   7 -12.049   7.706   5.286
  286   1HG   LYS   7          1HG       LYS   7 -13.764   9.329   5.002
  287   2HG   LYS   7          2HG       LYS   7 -12.721   9.391   3.579
  288   1HD   LYS   7          1HD       LYS   7 -14.352   8.052   2.332
  289   2HD   LYS   7          2HD       LYS   7 -15.389   7.984   3.759
  290   1HE   LYS   7          1HE       LYS   7 -16.244   9.689   2.343
  291   2HE   LYS   7          2HE       LYS   7 -15.467  10.484   3.711
  292   1HZ   LYS   7          1HZ       LYS   7 -13.997  10.035   1.186
  293   2HZ   LYS   7          2HZ       LYS   7 -15.018  11.378   1.374
  294   3HZ   LYS   7          3HZ       LYS   7 -13.692  11.167   2.408
  295    H    ARG   8           H        ARG   8 -12.249   4.321   4.157
  296    HA   ARG   8           HA       ARG   8  -9.801   4.076   5.558
  297   1HB   ARG   8          1HB       ARG   8 -11.736   2.584   5.926
  298   2HB   ARG   8          2HB       ARG   8 -11.533   1.932   4.309
  299   1HG   ARG   8          1HG       ARG   8 -10.580   0.348   5.742
  300   2HG   ARG   8          2HG       ARG   8  -9.218   1.216   5.032
  301   1HD   ARG   8          1HD       ARG   8  -9.000   2.561   7.047
  302   2HD   ARG   8          2HD       ARG   8 -10.410   1.768   7.748
  303    HE   ARG   8           HE       ARG   8  -8.509  -0.188   7.066
  304   1HH1  ARG   8          1HH1      ARG   8  -9.019   2.373   9.413
  305   2HH1  ARG   8          2HH1      ARG   8  -8.006   1.628  10.619
  306   1HH2  ARG   8          1HH2      ARG   8  -7.216  -1.166   8.628
  307   2HH2  ARG   8          2HH2      ARG   8  -6.953  -0.378  10.161
  308    H    VAL   9           H        VAL   9 -10.853   3.167   2.299
  309    HA   VAL   9           HA       VAL   9  -8.493   1.972   1.396
  310    HB   VAL   9           HB       VAL   9 -10.610   3.487  -0.143
  311   1HG1  VAL   9          1HG1      VAL   9  -8.141   2.117  -1.039
  312   2HG1  VAL   9          2HG1      VAL   9  -9.602   1.864  -1.995
  313   3HG1  VAL   9          3HG1      VAL   9  -8.991   3.498  -1.736
  314   1HG2  VAL   9          1HG2      VAL   9 -10.212   0.588   0.533
  315   2HG2  VAL   9          2HG2      VAL   9 -11.611   1.610   0.845
  316   3HG2  VAL   9          3HG2      VAL   9 -11.239   1.106  -0.805
  317    H    GLN  10           H        GLN  10  -9.593   5.348   1.164
  318    HA   GLN  10           HA       GLN  10  -7.357   6.325  -0.228
  319   1HB   GLN  10          1HB       GLN  10  -9.228   7.776   1.652
  320   2HB   GLN  10          2HB       GLN  10  -8.095   8.553   0.555
  321   1HG   GLN  10          1HG       GLN  10 -10.420   6.812  -0.241
  322   2HG   GLN  10          2HG       GLN  10 -10.346   8.568  -0.350
  323   1HE2  GLN  10          1HE2      GLN  10  -9.003   8.501  -3.520
  324   2HE2  GLN  10          2HE2      GLN  10  -9.919   9.313  -2.292
  325    H    ALA  11           H        ALA  11  -8.034   6.071   3.240
  326    HA   ALA  11           HA       ALA  11  -5.744   7.437   4.149
  327   1HB   ALA  11          1HB       ALA  11  -7.681   5.528   5.352
  328   2HB   ALA  11          2HB       ALA  11  -6.166   5.830   6.205
  329   3HB   ALA  11          3HB       ALA  11  -7.257   7.167   5.841
  330    H    LEU  12           H        LEU  12  -6.361   4.053   3.396
  331    HA   LEU  12           HA       LEU  12  -3.829   3.087   4.214
  332   1HB   LEU  12          1HB       LEU  12  -5.953   2.011   2.396
  333   2HB   LEU  12          2HB       LEU  12  -4.444   1.162   2.640
  334    HG   LEU  12           HG       LEU  12  -6.238   1.923   4.929
  335   1HD1  LEU  12          1HD1      LEU  12  -7.399   0.474   3.222
  336   2HD1  LEU  12          2HD1      LEU  12  -6.176  -0.753   3.553
  337   3HD1  LEU  12          3HD1      LEU  12  -7.257  -0.216   4.839
  338   1HD2  LEU  12          1HD2      LEU  12  -3.642   0.931   4.788
  339   2HD2  LEU  12          2HD2      LEU  12  -4.697   0.943   6.201
  340   3HD2  LEU  12          3HD2      LEU  12  -4.644  -0.476   5.156
  341    H    LYS  13           H        LYS  13  -5.166   3.829   0.993
  342    HA   LYS  13           HA       LYS  13  -2.879   3.277  -0.492
  343   1HB   LYS  13          1HB       LYS  13  -5.307   4.904  -0.890
  344   2HB   LYS  13          2HB       LYS  13  -3.934   5.350  -1.891
  345   1HG   LYS  13          1HG       LYS  13  -5.480   3.734  -2.966
  346   2HG   LYS  13          2HG       LYS  13  -3.816   3.160  -2.846
  347   1HD   LYS  13          1HD       LYS  13  -4.414   1.812  -0.898
  348   2HD   LYS  13          2HD       LYS  13  -6.071   2.411  -0.982
  349   1HE   LYS  13          1HE       LYS  13  -5.864   0.175  -1.969
  350   2HE   LYS  13          2HE       LYS  13  -6.364   1.373  -3.161
  351   1HZ   LYS  13          1HZ       LYS  13  -3.502   0.743  -2.865
  352   2HZ   LYS  13          2HZ       LYS  13  -4.496  -0.334  -3.710
  353   3HZ   LYS  13          3HZ       LYS  13  -4.350   1.276  -4.232
  354    H    ALA  14           H        ALA  14  -3.746   6.197   1.286
  355    HA   ALA  14           HA       ALA  14  -1.639   7.833   0.351
  356   1HB   ALA  14          1HB       ALA  14  -3.756   8.290   1.932
  357   2HB   ALA  14          2HB       ALA  14  -2.500   8.158   3.164
  358   3HB   ALA  14          3HB       ALA  14  -2.351   9.355   1.878
  359    H    ARG  15           H        ARG  15  -1.915   5.663   3.141
  360    HA   ARG  15           HA       ARG  15   0.720   6.060   4.131
  361   1HB   ARG  15          1HB       ARG  15  -1.283   3.829   4.472
  362   2HB   ARG  15          2HB       ARG  15   0.292   3.802   5.247
  363   1HG   ARG  15          1HG       ARG  15  -1.675   6.037   5.621
  364   2HG   ARG  15          2HG       ARG  15  -1.623   4.607   6.655
  365   1HD   ARG  15          1HD       ARG  15   0.809   5.134   7.055
  366   2HD   ARG  15          2HD       ARG  15   0.525   6.672   6.243
  367    HE   ARG  15           HE       ARG  15  -1.384   6.367   8.277
  368   1HH1  ARG  15          1HH1      ARG  15   2.052   6.878   7.866
  369   2HH1  ARG  15          2HH1      ARG  15   2.251   7.677   9.398
  370   1HH2  ARG  15          1HH2      ARG  15  -1.146   7.451  10.273
  371   2HH2  ARG  15          2HH2      ARG  15   0.428   7.995  10.768
  372    H    ASN  16           H        ASN  16  -0.761   3.709   1.992
  373    HA   ASN  16           HA       ASN  16   1.421   2.008   1.612
  374   1HB   ASN  16          1HB       ASN  16  -1.060   2.646   0.047
  375   2HB   ASN  16          2HB       ASN  16   0.150   1.577  -0.633
  376   1HD2  ASN  16          1HD2      ASN  16  -1.241  -1.133   0.984
  377   2HD2  ASN  16          2HD2      ASN  16  -0.508  -0.454  -0.427
  378    H    TYR  17           H        TYR  17   0.375   4.901  -0.122
  379    HA   TYR  17           HA       TYR  17   2.314   4.809  -2.170
  380   1HB   TYR  17          1HB       TYR  17   0.172   6.279  -1.907
  381   2HB   TYR  17          2HB       TYR  17   1.232   7.376  -1.039
  382    HD1  TYR  17           HD1      TYR  17   3.218   5.832  -3.452
  383    HD2  TYR  17           HD2      TYR  17   0.138   8.740  -3.072
  384    HE1  TYR  17           HE1      TYR  17   3.889   6.820  -5.602
  385    HE2  TYR  17           HE2      TYR  17   0.795   9.732  -5.221
  386    HH   TYR  17           HH       TYR  17   3.277   9.678  -6.606
  387    H    ALA  18           H        ALA  18   2.242   6.401   0.987
  388    HA   ALA  18           HA       ALA  18   4.770   7.638   0.818
  389   1HB   ALA  18          1HB       ALA  18   2.811   8.019   2.471
  390   2HB   ALA  18          2HB       ALA  18   3.591   6.753   3.420
  391   3HB   ALA  18          3HB       ALA  18   4.469   8.235   3.035
  392    H    ALA  19           H        ALA  19   3.749   4.439   1.852
  393    HA   ALA  19           HA       ALA  19   6.326   3.729   2.918
  394   1HB   ALA  19          1HB       ALA  19   3.926   2.019   2.275
  395   2HB   ALA  19          2HB       ALA  19   5.368   1.471   3.128
  396   3HB   ALA  19          3HB       ALA  19   4.339   2.708   3.846
  397    H    LYS  20           H        LYS  20   4.588   3.228  -0.110
  398    HA   LYS  20           HA       LYS  20   6.339   1.367  -1.282
  399   1HB   LYS  20          1HB       LYS  20   4.442   3.403  -2.411
  400   2HB   LYS  20          2HB       LYS  20   5.476   2.458  -3.474
  401   1HG   LYS  20          1HG       LYS  20   4.459   0.436  -2.825
  402   2HG   LYS  20          2HG       LYS  20   3.653   1.197  -1.454
  403   1HD   LYS  20          1HD       LYS  20   2.274   2.505  -2.955
  404   2HD   LYS  20          2HD       LYS  20   3.113   1.824  -4.352
  405   1HE   LYS  20          1HE       LYS  20   1.660   0.129  -2.340
  406   2HE   LYS  20          2HE       LYS  20   0.861   0.800  -3.757
  407   1HZ   LYS  20          1HZ       LYS  20   2.825  -0.331  -5.004
  408   2HZ   LYS  20          2HZ       LYS  20   2.928  -1.285  -3.606
  409   3HZ   LYS  20          3HZ       LYS  20   1.489  -1.255  -4.507
  410    H    GLN  21           H        GLN  21   6.291   4.919  -1.419
  411    HA   GLN  21           HA       GLN  21   8.585   5.119  -3.066
  412   1HB   GLN  21          1HB       GLN  21   8.599   7.467  -2.512
  413   2HB   GLN  21          2HB       GLN  21   6.948   6.942  -2.803
  414   1HG   GLN  21          1HG       GLN  21   6.917   6.647  -0.201
  415   2HG   GLN  21          2HG       GLN  21   8.248   7.804  -0.274
  416   1HE2  GLN  21          1HE2      GLN  21   4.968   9.279  -2.134
  417   2HE2  GLN  21          2HE2      GLN  21   5.731   7.813  -2.651
  418    H    LYS  22           H        LYS  22   8.118   4.612   0.322
  419    HA   LYS  22           HA       LYS  22  10.729   5.341   1.207
  420   1HB   LYS  22          1HB       LYS  22   8.445   3.777   2.332
  421   2HB   LYS  22          2HB       LYS  22  10.030   3.526   3.040
  422   1HG   LYS  22          1HG       LYS  22   8.784   6.245   2.750
  423   2HG   LYS  22          2HG       LYS  22   8.570   5.222   4.177
  424   1HD   LYS  22          1HD       LYS  22  11.236   6.105   3.081
  425   2HD   LYS  22          2HD       LYS  22  10.396   6.888   4.419
  426   1HE   LYS  22          1HE       LYS  22  11.241   3.993   4.380
  427   2HE   LYS  22          2HE       LYS  22  12.163   5.291   5.135
  428   1HZ   LYS  22          1HZ       LYS  22  10.012   5.720   6.437
  429   2HZ   LYS  22          2HZ       LYS  22   9.555   4.159   5.948
  430   3HZ   LYS  22          3HZ       LYS  22  10.961   4.387   6.873
  431    H    VAL  23           H        VAL  23   9.174   2.299   0.289
  432    HA   VAL  23           HA       VAL  23  11.368   0.597   0.634
  433    HB   VAL  23           HB       VAL  23   9.163   0.376  -1.435
  434   1HG1  VAL  23          1HG1      VAL  23  11.218  -1.062  -1.757
  435   2HG1  VAL  23          2HG1      VAL  23  10.779  -1.864  -0.250
  436   3HG1  VAL  23          3HG1      VAL  23   9.681  -1.918  -1.630
  437   1HG2  VAL  23          1HG2      VAL  23   9.214  -0.086   1.467
  438   2HG2  VAL  23          2HG2      VAL  23   7.858   0.241   0.388
  439   3HG2  VAL  23          3HG2      VAL  23   8.505  -1.393   0.515
  440    H    GLN  24           H        GLN  24  10.263   2.365  -2.243
  441    HA   GLN  24           HA       GLN  24  12.326   1.500  -3.957
  442   1HB   GLN  24          1HB       GLN  24  10.678   4.033  -4.064
  443   2HB   GLN  24          2HB       GLN  24  11.668   3.412  -5.381
  444   1HG   GLN  24          1HG       GLN  24  10.276   1.427  -5.516
  445   2HG   GLN  24          2HG       GLN  24   9.306   2.001  -4.159
  446   1HE2  GLN  24          1HE2      GLN  24   8.349   3.068  -7.842
  447   2HE2  GLN  24          2HE2      GLN  24   9.428   1.784  -7.424
  448    H    ALA  25           H        ALA  25  12.101   4.236  -1.746
  449    HA   ALA  25           HA       ALA  25  14.468   5.529  -2.650
  450   1HB   ALA  25          1HB       ALA  25  12.463   6.044  -0.724
  451   2HB   ALA  25          2HB       ALA  25  14.017   6.091   0.109
  452   3HB   ALA  25          3HB       ALA  25  13.736   7.126  -1.291
  453    H    LEU  26           H        LEU  26  13.772   3.352   0.049
  454    HA   LEU  26           HA       LEU  26  16.388   3.232   1.079
  455   1HB   LEU  26          1HB       LEU  26  14.177   1.179   1.172
  456   2HB   LEU  26          2HB       LEU  26  15.621   1.145   2.166
  457    HG   LEU  26           HG       LEU  26  13.526   3.315   2.245
  458   1HD1  LEU  26          1HD1      LEU  26  13.963   0.838   3.872
  459   2HD1  LEU  26          2HD1      LEU  26  13.186   2.261   4.569
  460   3HD1  LEU  26          3HD1      LEU  26  12.473   1.465   3.167
  461   1HD2  LEU  26          1HD2      LEU  26  16.084   2.825   3.715
  462   2HD2  LEU  26          2HD2      LEU  26  15.516   4.304   2.941
  463   3HD2  LEU  26          3HD2      LEU  26  14.780   3.755   4.448
  464    H    ARG  27           H        ARG  27  14.685   1.220  -1.300
  465    HA   ARG  27           HA       ARG  27  16.779  -0.644  -1.662
  466   1HB   ARG  27          1HB       ARG  27  14.169  -0.480  -2.384
  467   2HB   ARG  27          2HB       ARG  27  14.959  -0.131  -3.914
  468   1HG   ARG  27          1HG       ARG  27  15.996  -2.217  -3.991
  469   2HG   ARG  27          2HG       ARG  27  15.709  -2.519  -2.272
  470   1HD   ARG  27          1HD       ARG  27  13.387  -2.801  -2.617
  471   2HD   ARG  27          2HD       ARG  27  13.488  -2.179  -4.261
  472    HE   ARG  27           HE       ARG  27  14.071  -4.275  -4.969
  473   1HH1  ARG  27          1HH1      ARG  27  14.526  -4.100  -1.497
  474   2HH1  ARG  27          2HH1      ARG  27  15.010  -5.760  -1.333
  475   1HH2  ARG  27          1HH2      ARG  27  14.663  -6.471  -4.771
  476   2HH2  ARG  27          2HH2      ARG  27  15.076  -7.122  -3.205
  477    H    HIS  28           H        HIS  28  16.270   2.543  -2.780
  478    HA   HIS  28           HA       HIS  28  18.026   2.293  -5.076
  479   1HB   HIS  28          1HB       HIS  28  16.066   3.841  -5.093
  480   2HB   HIS  28          2HB       HIS  28  16.841   4.775  -3.817
  481    HD1  HIS  28           HD1      HIS  28  17.807   3.601  -7.335
  482    HD2  HIS  28           HD2      HIS  28  18.166   6.869  -4.788
  483    HE1  HIS  28           HE1      HIS  28  19.059   5.385  -8.628
  484    H    LYS  29           H        LYS  29  17.988   3.835  -1.905
  485    HA   LYS  29           HA       LYS  29  20.608   4.902  -2.018
  486   1HB   LYS  29          1HB       LYS  29  18.809   5.700  -0.509
  487   2HB   LYS  29          2HB       LYS  29  18.929   4.199   0.392
  488   1HG   LYS  29          1HG       LYS  29  21.263   4.760   0.952
  489   2HG   LYS  29          2HG       LYS  29  21.061   6.304   0.122
  490   1HD   LYS  29          1HD       LYS  29  19.153   6.785   1.670
  491   2HD   LYS  29          2HD       LYS  29  19.592   5.333   2.569
  492   1HE   LYS  29          1HE       LYS  29  20.566   7.237   3.662
  493   2HE   LYS  29          2HE       LYS  29  21.851   6.290   2.913
  494   1HZ   LYS  29          1HZ       LYS  29  20.774   8.355   1.215
  495   2HZ   LYS  29          2HZ       LYS  29  21.517   8.945   2.618
  496   3HZ   LYS  29          3HZ       LYS  29  22.386   7.960   1.547
  497    H    CYS  30           H        CYS  30  19.270   2.001  -0.502
  498    HA   CYS  30           HA       CYS  30  21.947   0.798  -0.541
  499   1HB   CYS  30          1HB       CYS  30  20.094   0.904   1.847
  500   2HB   CYS  30          2HB       CYS  30  21.480  -0.173   1.733
  501    H    GLY  31           H        GLY  31  20.808  -0.109  -2.462
  502   1HA   GLY  31          1HA       GLY  31  19.992  -2.771  -1.925
  503   2HA   GLY  31          2HA       GLY  31  18.599  -1.786  -2.360
  504   1HN   NH2  32          1HN       NH2  32  19.282  -3.885  -3.939
  505   2HN   NH2  32          2HN       NH2  32  19.938  -3.316  -5.442
  Start of MODEL   19
    1   1H    ACE   0          1H        ACE   0 -24.550   0.246  -2.155
    2   2H    ACE   0          2H        ACE   0 -23.308   0.791  -3.288
    3   3H    ACE   0          3H        ACE   0 -23.088   1.032  -1.551
    4    H    GLU   1           H        GLU   1 -21.431  -0.422  -3.557
    5    HA   GLU   1           HA       GLU   1 -21.679  -3.185  -2.678
    6   1HB   GLU   1          1HB       GLU   1 -19.801  -1.965  -4.678
    7   2HB   GLU   1          2HB       GLU   1 -19.896  -3.671  -4.292
    8   1HG   GLU   1          1HG       GLU   1 -21.192  -3.564  -6.168
    9   2HG   GLU   1          2HG       GLU   1 -22.364  -3.417  -4.858
   10    H    VAL   2           H        VAL   2 -20.955  -3.410  -0.692
   11    HA   VAL   2           HA       VAL   2 -18.529  -2.168   0.234
   12    HB   VAL   2           HB       VAL   2 -20.069  -4.459   1.475
   13   1HG1  VAL   2          1HG1      VAL   2 -17.592  -3.546   2.137
   14   2HG1  VAL   2          2HG1      VAL   2 -18.623  -2.595   3.205
   15   3HG1  VAL   2          3HG1      VAL   2 -18.699  -4.360   3.241
   16   1HG2  VAL   2          1HG2      VAL   2 -20.523  -1.521   1.536
   17   2HG2  VAL   2          2HG2      VAL   2 -21.688  -2.845   1.501
   18   3HG2  VAL   2          3HG2      VAL   2 -20.837  -2.455   2.997
   19    H    ALA   3           H        ALA   3 -19.611  -5.224  -1.039
   20    HA   ALA   3           HA       ALA   3 -17.353  -6.809  -0.591
   21   1HB   ALA   3          1HB       ALA   3 -19.778  -6.946  -2.141
   22   2HB   ALA   3          2HB       ALA   3 -18.417  -7.658  -3.008
   23   3HB   ALA   3          3HB       ALA   3 -18.840  -8.242  -1.398
   24    H    GLN   4           H        GLN   4 -18.209  -4.807  -3.441
   25    HA   GLN   4           HA       GLN   4 -15.943  -5.462  -4.972
   26   1HB   GLN   4          1HB       GLN   4 -17.520  -2.901  -4.910
   27   2HB   GLN   4          2HB       GLN   4 -16.353  -3.319  -6.155
   28   1HG   GLN   4          1HG       GLN   4 -18.845  -4.888  -5.538
   29   2HG   GLN   4          2HG       GLN   4 -18.681  -3.719  -6.847
   30   1HE2  GLN   4          1HE2      GLN   4 -17.445  -6.056  -9.045
   31   2HE2  GLN   4          2HE2      GLN   4 -18.303  -4.586  -8.733
   32    H    LEU   5           H        LEU   5 -16.482  -2.833  -2.688
   33    HA   LEU   5           HA       LEU   5 -13.940  -1.658  -2.993
   34   1HB   LEU   5          1HB       LEU   5 -16.097  -1.468  -0.931
   35   2HB   LEU   5          2HB       LEU   5 -14.571  -0.620  -0.729
   36    HG   LEU   5           HG       LEU   5 -16.330  -0.278  -3.151
   37   1HD1  LEU   5          1HD1      LEU   5 -16.731   0.661  -0.480
   38   2HD1  LEU   5          2HD1      LEU   5 -16.407   2.017  -1.558
   39   3HD1  LEU   5          3HD1      LEU   5 -17.729   0.905  -1.913
   40   1HD2  LEU   5          1HD2      LEU   5 -13.964   0.321  -3.414
   41   2HD2  LEU   5          2HD2      LEU   5 -15.010   1.738  -3.485
   42   3HD2  LEU   5          3HD2      LEU   5 -14.089   1.395  -2.020
   43    H    GLU   6           H        GLU   6 -15.178  -4.213  -0.926
   44    HA   GLU   6           HA       GLU   6 -13.041  -4.335   0.908
   45   1HB   GLU   6          1HB       GLU   6 -15.039  -6.346  -0.097
   46   2HB   GLU   6          2HB       GLU   6 -13.705  -6.875   0.915
   47   1HG   GLU   6          1HG       GLU   6 -15.694  -4.755   1.688
   48   2HG   GLU   6          2HG       GLU   6 -15.798  -6.453   2.157
   49    H    LYS   7           H        LYS   7 -13.555  -5.749  -2.286
   50    HA   LYS   7           HA       LYS   7 -11.148  -7.280  -2.327
   51   1HB   LYS   7          1HB       LYS   7 -12.803  -6.193  -4.615
   52   2HB   LYS   7          2HB       LYS   7 -11.530  -7.397  -4.769
   53   1HG   LYS   7          1HG       LYS   7 -12.795  -8.955  -3.418
   54   2HG   LYS   7          2HG       LYS   7 -14.045  -7.737  -3.156
   55   1HD   LYS   7          1HD       LYS   7 -14.474  -7.684  -5.576
   56   2HD   LYS   7          2HD       LYS   7 -13.264  -8.949  -5.805
   57   1HE   LYS   7          1HE       LYS   7 -15.540  -9.864  -5.776
   58   2HE   LYS   7          2HE       LYS   7 -14.573 -10.470  -4.432
   59   1HZ   LYS   7          1HZ       LYS   7 -16.025  -8.074  -3.811
   60   2HZ   LYS   7          2HZ       LYS   7 -17.035  -9.372  -4.214
   61   3HZ   LYS   7          3HZ       LYS   7 -15.915  -9.525  -2.945
   62    H    GLU   8           H        GLU   8 -12.012  -4.026  -3.305
   63    HA   GLU   8           HA       GLU   8  -9.569  -3.363  -4.580
   64   1HB   GLU   8          1HB       GLU   8 -11.677  -2.155  -4.953
   65   2HB   GLU   8          2HB       GLU   8 -11.665  -1.612  -3.285
   66   1HG   GLU   8          1HG       GLU   8 -10.965   0.178  -4.657
   67   2HG   GLU   8          2HG       GLU   8  -9.563  -0.390  -3.753
   68    H    VAL   9           H        VAL   9 -10.806  -2.890  -1.284
   69    HA   VAL   9           HA       VAL   9  -8.552  -1.477  -0.315
   70    HB   VAL   9           HB       VAL   9 -10.663  -3.087   1.153
   71   1HG1  VAL   9          1HG1      VAL   9  -8.576  -3.025   2.455
   72   2HG1  VAL   9          2HG1      VAL   9  -8.547  -1.269   2.318
   73   3HG1  VAL   9          3HG1      VAL   9  -9.845  -2.060   3.213
   74   1HG2  VAL   9          1HG2      VAL   9 -11.487  -1.060   0.063
   75   2HG2  VAL   9          2HG2      VAL   9 -11.500  -0.877   1.818
   76   3HG2  VAL   9          3HG2      VAL   9 -10.235  -0.107   0.861
   77    H    ALA  10           H        ALA  10  -9.464  -4.892  -0.294
   78    HA   ALA  10           HA       ALA  10  -7.200  -5.825   1.119
   79   1HB   ALA  10          1HB       ALA  10  -9.524  -6.955  -0.005
   80   2HB   ALA  10          2HB       ALA  10  -8.147  -7.817  -0.694
   81   3HB   ALA  10          3HB       ALA  10  -8.342  -7.725   1.056
   82    H    GLN  11           H        GLN  11  -7.716  -4.898  -2.161
   83    HA   GLN  11           HA       GLN  11  -5.543  -6.294  -3.355
   84   1HB   GLN  11          1HB       GLN  11  -7.614  -5.098  -4.444
   85   2HB   GLN  11          2HB       GLN  11  -6.593  -3.668  -4.377
   86   1HG   GLN  11          1HG       GLN  11  -6.343  -4.587  -6.531
   87   2HG   GLN  11          2HG       GLN  11  -4.863  -4.968  -5.649
   88   1HE2  GLN  11          1HE2      GLN  11  -5.166  -8.328  -6.413
   89   2HE2  GLN  11          2HE2      GLN  11  -4.163  -6.930  -6.176
   90    H    ALA  12           H        ALA  12  -6.044  -2.950  -2.286
   91    HA   ALA  12           HA       ALA  12  -3.375  -2.122  -2.712
   92   1HB   ALA  12          1HB       ALA  12  -5.599  -0.979  -1.059
   93   2HB   ALA  12          2HB       ALA  12  -4.016  -0.216  -1.196
   94   3HB   ALA  12          3HB       ALA  12  -5.016  -0.435  -2.633
   95    H    GLU  13           H        GLU  13  -5.116  -3.268   0.145
   96    HA   GLU  13           HA       GLU  13  -3.130  -2.915   2.066
   97   1HB   GLU  13          1HB       GLU  13  -5.466  -4.741   1.772
   98   2HB   GLU  13          2HB       GLU  13  -4.303  -5.083   3.044
   99   1HG   GLU  13          1HG       GLU  13  -5.629  -2.412   2.713
  100   2HG   GLU  13          2HG       GLU  13  -6.298  -3.710   3.702
  101    H    ALA  14           H        ALA  14  -3.699  -5.656  -0.120
  102    HA   ALA  14           HA       ALA  14  -1.735  -7.363   0.924
  103   1HB   ALA  14          1HB       ALA  14  -3.595  -7.551  -1.067
  104   2HB   ALA  14          2HB       ALA  14  -2.086  -7.520  -1.982
  105   3HB   ALA  14          3HB       ALA  14  -2.340  -8.747  -0.739
  106    H    GLU  15           H        GLU  15  -1.547  -5.024  -1.765
  107    HA   GLU  15           HA       GLU  15   1.211  -5.478  -2.255
  108   1HB   GLU  15          1HB       GLU  15  -0.665  -3.243  -2.992
  109   2HB   GLU  15          2HB       GLU  15   1.051  -3.162  -3.374
  110   1HG   GLU  15          1HG       GLU  15   0.869  -5.216  -4.661
  111   2HG   GLU  15          2HG       GLU  15  -0.843  -5.311  -4.265
  112    H    ASN  16           H        ASN  16  -0.564  -3.051  -0.381
  113    HA   ASN  16           HA       ASN  16   1.549  -1.455   0.439
  114   1HB   ASN  16          1HB       ASN  16  -0.973  -1.176   0.877
  115   2HB   ASN  16          2HB       ASN  16  -0.727  -2.217   2.269
  116   1HD2  ASN  16          1HD2      ASN  16  -0.107   1.638   2.633
  117   2HD2  ASN  16          2HD2      ASN  16  -1.027   0.875   1.379
  118    H    TYR  17           H        TYR  17   0.300  -4.437   1.860
  119    HA   TYR  17           HA       TYR  17   1.951  -4.628   4.105
  120   1HB   TYR  17          1HB       TYR  17   0.064  -6.147   3.768
  121   2HB   TYR  17          2HB       TYR  17   0.829  -6.815   2.332
  122    HD1  TYR  17           HD1      TYR  17   1.632  -6.304   5.956
  123    HD2  TYR  17           HD2      TYR  17   1.914  -8.836   2.544
  124    HE1  TYR  17           HE1      TYR  17   2.758  -8.012   7.318
  125    HE2  TYR  17           HE2      TYR  17   3.033 -10.544   3.901
  126    HH   TYR  17           HH       TYR  17   4.216 -10.827   5.882
  127    H    GLN  18           H        GLN  18   2.424  -5.725   0.791
  128    HA   GLN  18           HA       GLN  18   4.978  -6.900   1.242
  129   1HB   GLN  18          1HB       GLN  18   3.598  -6.037  -1.303
  130   2HB   GLN  18          2HB       GLN  18   5.102  -6.947  -1.252
  131   1HG   GLN  18          1HG       GLN  18   3.975  -8.787  -0.142
  132   2HG   GLN  18          2HG       GLN  18   2.474  -7.867  -0.116
  133   1HE2  GLN  18          1HE2      GLN  18   3.337 -10.148  -3.237
  134   2HE2  GLN  18          2HE2      GLN  18   4.131 -10.216  -1.696
  135    H    LEU  19           H        LEU  19   3.863  -3.725   0.237
  136    HA   LEU  19           HA       LEU  19   6.385  -2.754  -0.622
  137   1HB   LEU  19          1HB       LEU  19   4.129  -1.106   0.513
  138   2HB   LEU  19          2HB       LEU  19   5.420  -0.548  -0.526
  139    HG   LEU  19           HG       LEU  19   3.073  -2.267  -1.268
  140   1HD1  LEU  19          1HD1      LEU  19   4.020   0.478  -1.931
  141   2HD1  LEU  19          2HD1      LEU  19   3.000  -0.407  -3.065
  142   3HD1  LEU  19          3HD1      LEU  19   2.420  -0.069  -1.434
  143   1HD2  LEU  19          1HD2      LEU  19   5.606  -1.792  -2.808
  144   2HD2  LEU  19          2HD2      LEU  19   4.838  -3.328  -2.408
  145   3HD2  LEU  19          3HD2      LEU  19   4.087  -2.246  -3.582
  146    H    GLU  20           H        GLU  20   4.603  -2.421   2.457
  147    HA   GLU  20           HA       GLU  20   6.573  -0.960   3.830
  148   1HB   GLU  20          1HB       GLU  20   4.533  -2.929   4.871
  149   2HB   GLU  20          2HB       GLU  20   5.547  -1.940   5.906
  150   1HG   GLU  20          1HG       GLU  20   4.544   0.069   4.723
  151   2HG   GLU  20          2HG       GLU  20   3.364  -1.060   4.055
  152    H    GLN  21           H        GLN  21   6.047  -4.398   3.431
  153    HA   GLN  21           HA       GLN  21   8.033  -5.368   5.152
  154   1HB   GLN  21          1HB       GLN  21   6.207  -6.716   4.222
  155   2HB   GLN  21          2HB       GLN  21   6.900  -6.558   2.617
  156   1HG   GLN  21          1HG       GLN  21   8.736  -7.922   3.167
  157   2HG   GLN  21          2HG       GLN  21   8.363  -7.847   4.892
  158   1HE2  GLN  21          1HE2      GLN  21   6.758 -10.701   2.625
  159   2HE2  GLN  21          2HE2      GLN  21   8.012  -9.631   2.097
  160    H    GLU  22           H        GLU  22   8.133  -4.458   1.729
  161    HA   GLU  22           HA       GLU  22  10.843  -5.257   1.345
  162   1HB   GLU  22          1HB       GLU  22   9.107  -5.000  -0.469
  163   2HB   GLU  22          2HB       GLU  22   9.246  -3.260  -0.269
  164   1HG   GLU  22          1HG       GLU  22  10.590  -3.760  -2.090
  165   2HG   GLU  22          2HG       GLU  22  11.721  -3.562  -0.753
  166    H    VAL  23           H        VAL  23   9.169  -2.234   2.066
  167    HA   VAL  23           HA       VAL  23  11.365  -0.497   1.945
  168    HB   VAL  23           HB       VAL  23   8.775  -0.346   3.489
  169   1HG1  VAL  23          1HG1      VAL  23  11.130   1.487   3.598
  170   2HG1  VAL  23          2HG1      VAL  23   9.502   2.169   3.664
  171   3HG1  VAL  23          3HG1      VAL  23  10.021   1.001   4.879
  172   1HG2  VAL  23          1HG2      VAL  23   9.662   0.367   0.838
  173   2HG2  VAL  23          2HG2      VAL  23   8.031   0.337   1.509
  174   3HG2  VAL  23          3HG2      VAL  23   9.038   1.776   1.696
  175    H    ALA  24           H        ALA  24   9.975  -2.240   4.726
  176    HA   ALA  24           HA       ALA  24  11.708  -1.337   6.705
  177   1HB   ALA  24          1HB       ALA  24   9.677  -3.190   6.584
  178   2HB   ALA  24          2HB       ALA  24  11.093  -4.174   6.960
  179   3HB   ALA  24          3HB       ALA  24  10.653  -2.823   8.005
  180    H    GLN  25           H        GLN  25  12.036  -4.094   4.523
  181    HA   GLN  25           HA       GLN  25  14.484  -5.060   5.469
  182   1HB   GLN  25          1HB       GLN  25  13.010  -6.331   3.978
  183   2HB   GLN  25          2HB       GLN  25  13.314  -5.181   2.685
  184   1HG   GLN  25          1HG       GLN  25  15.636  -5.838   2.595
  185   2HG   GLN  25          2HG       GLN  25  15.403  -6.927   3.963
  186   1HE2  GLN  25          1HE2      GLN  25  14.717  -8.200   0.267
  187   2HE2  GLN  25          2HE2      GLN  25  15.540  -6.729   0.669
  188    H    LEU  26           H        LEU  26  13.803  -2.832   2.751
  189    HA   LEU  26           HA       LEU  26  16.495  -2.393   2.071
  190   1HB   LEU  26          1HB       LEU  26  14.106  -0.601   1.645
  191   2HB   LEU  26          2HB       LEU  26  15.672  -0.390   0.882
  192    HG   LEU  26           HG       LEU  26  13.856  -2.779   0.503
  193   1HD1  LEU  26          1HD1      LEU  26  13.727  -0.240  -0.658
  194   2HD1  LEU  26          2HD1      LEU  26  14.475  -1.283  -1.869
  195   3HD1  LEU  26          3HD1      LEU  26  12.904  -1.708  -1.187
  196   1HD2  LEU  26          1HD2      LEU  26  16.667  -2.270  -0.154
  197   2HD2  LEU  26          2HD2      LEU  26  15.786  -3.792  -0.025
  198   3HD2  LEU  26          3HD2      LEU  26  15.693  -2.840  -1.507
  199    H    GLU  27           H        GLU  27  14.341  -0.593   4.244
  200    HA   GLU  27           HA       GLU  27  16.113   1.513   4.861
  201   1HB   GLU  27          1HB       GLU  27  13.915   0.239   6.512
  202   2HB   GLU  27          2HB       GLU  27  14.754   1.709   6.974
  203   1HG   GLU  27          1HG       GLU  27  13.489   1.630   4.296
  204   2HG   GLU  27          2HG       GLU  27  12.438   1.745   5.705
  205    H    HIS  28           H        HIS  28  15.574  -1.639   6.321
  206    HA   HIS  28           HA       HIS  28  17.414  -1.361   8.453
  207   1HB   HIS  28          1HB       HIS  28  15.567  -2.985   8.441
  208   2HB   HIS  28          2HB       HIS  28  16.329  -3.853   7.117
  209    HD1  HIS  28           HD1      HIS  28  17.779  -2.684  10.457
  210    HD2  HIS  28           HD2      HIS  28  17.175  -6.120   8.200
  211    HE1  HIS  28           HE1      HIS  28  18.855  -4.577  11.747
  212    H    GLU  29           H        GLU  29  17.662  -2.794   5.218
  213    HA   GLU  29           HA       GLU  29  20.315  -3.734   5.508
  214   1HB   GLU  29          1HB       GLU  29  18.653  -3.083   3.077
  215   2HB   GLU  29          2HB       GLU  29  20.276  -3.750   2.971
  216   1HG   GLU  29          1HG       GLU  29  17.974  -5.065   4.396
  217   2HG   GLU  29          2HG       GLU  29  18.498  -5.446   2.755
  218    H    CYS  30           H        CYS  30  18.948  -0.686   4.525
  219    HA   CYS  30           HA       CYS  30  21.369   0.410   3.492
  220   1HB   CYS  30          1HB       CYS  30  19.105   1.235   2.875
  221   2HB   CYS  30          2HB       CYS  30  18.921   1.868   4.507
  222    H    GLY  31           H        GLY  31  19.752   0.505   6.635
  223   1HA   GLY  31          1HA       GLY  31  20.996   0.603   8.664
  224   2HA   GLY  31          2HA       GLY  31  22.283   1.434   7.802
  225   1HN   NH2  32          1HN       NH2  32  20.903   2.146  10.273
  226   2HN   NH2  32          2HN       NH2  32  20.212   3.715  10.011
  227   1H    ACE   0          1H        ACE   0 -17.333  -0.420   7.995
  228   2H    ACE   0          2H        ACE   0 -16.060  -0.448   6.772
  229   3H    ACE   0          3H        ACE   0 -16.911  -1.938   7.196
  230    H    GLU   1           H        GLU   1 -17.939   1.374   6.365
  231    HA   GLU   1           HA       GLU   1 -20.009   0.259   4.661
  232   1HB   GLU   1          1HB       GLU   1 -20.668   2.706   4.408
  233   2HB   GLU   1          2HB       GLU   1 -20.885   1.966   5.986
  234   1HG   GLU   1          1HG       GLU   1 -18.916   3.050   6.818
  235   2HG   GLU   1          2HG       GLU   1 -18.538   3.675   5.213
  236    H    VAL   2           H        VAL   2 -20.453   1.432   2.571
  237    HA   VAL   2           HA       VAL   2 -18.329   1.013   0.802
  238    HB   VAL   2           HB       VAL   2 -20.963   2.442   0.515
  239   1HG1  VAL   2          1HG1      VAL   2 -18.973   3.365  -0.960
  240   2HG1  VAL   2          2HG1      VAL   2 -19.324   1.922  -1.910
  241   3HG1  VAL   2          3HG1      VAL   2 -20.585   3.122  -1.632
  242   1HG2  VAL   2          1HG2      VAL   2 -20.860  -0.047   0.616
  243   2HG2  VAL   2          2HG2      VAL   2 -21.531   0.575  -0.891
  244   3HG2  VAL   2          3HG2      VAL   2 -19.872  -0.018  -0.845
  245    H    GLN   3           H        GLN   3 -19.703   4.072   2.006
  246    HA   GLN   3           HA       GLN   3 -17.878   5.784   0.748
  247   1HB   GLN   3          1HB       GLN   3 -19.564   6.016   3.206
  248   2HB   GLN   3          2HB       GLN   3 -18.453   7.301   2.767
  249   1HG   GLN   3          1HG       GLN   3 -20.551   6.242   0.901
  250   2HG   GLN   3          2HG       GLN   3 -20.837   7.576   2.018
  251   1HE2  GLN   3          1HE2      GLN   3 -19.635   9.894  -0.216
  252   2HE2  GLN   3          2HE2      GLN   3 -20.734   9.450   1.055
  253    H    ALA   4           H        ALA   4 -17.711   4.003   3.764
  254    HA   ALA   4           HA       ALA   4 -15.391   5.226   4.814
  255   1HB   ALA   4          1HB       ALA   4 -16.497   2.464   5.277
  256   2HB   ALA   4          2HB       ALA   4 -15.264   3.252   6.265
  257   3HB   ALA   4          3HB       ALA   4 -16.896   3.918   6.193
  258    H    LEU   5           H        LEU   5 -15.871   2.290   2.889
  259    HA   LEU   5           HA       LEU   5 -13.140   1.559   2.838
  260   1HB   LEU   5          1HB       LEU   5 -15.421   0.810   1.018
  261   2HB   LEU   5          2HB       LEU   5 -13.827   0.078   0.955
  262    HG   LEU   5           HG       LEU   5 -15.729  -0.034   3.301
  263   1HD1  LEU   5          1HD1      LEU   5 -16.141  -1.400   1.118
  264   2HD1  LEU   5          2HD1      LEU   5 -14.811  -2.391   1.719
  265   3HD1  LEU   5          3HD1      LEU   5 -16.267  -2.182   2.693
  266   1HD2  LEU   5          1HD2      LEU   5 -12.878  -0.693   2.986
  267   2HD2  LEU   5          2HD2      LEU   5 -13.801  -0.308   4.437
  268   3HD2  LEU   5          3HD2      LEU   5 -13.863  -1.935   3.757
  269    H    LYS   6           H        LYS   6 -15.102   3.637   0.795
  270    HA   LYS   6           HA       LYS   6 -13.310   3.831  -1.385
  271   1HB   LYS   6          1HB       LYS   6 -15.361   5.776  -0.304
  272   2HB   LYS   6          2HB       LYS   6 -14.470   6.039  -1.799
  273   1HG   LYS   6          1HG       LYS   6 -15.481   4.185  -2.845
  274   2HG   LYS   6          2HG       LYS   6 -16.115   3.574  -1.318
  275   1HD   LYS   6          1HD       LYS   6 -17.916   4.562  -2.554
  276   2HD   LYS   6          2HD       LYS   6 -17.551   5.593  -1.170
  277   1HE   LYS   6          1HE       LYS   6 -16.272   7.083  -2.617
  278   2HE   LYS   6          2HE       LYS   6 -16.616   6.043  -4.000
  279   1HZ   LYS   6          1HZ       LYS   6 -19.023   6.724  -2.694
  280   2HZ   LYS   6          2HZ       LYS   6 -18.155   8.140  -3.043
  281   3HZ   LYS   6          3HZ       LYS   6 -18.545   7.056  -4.285
  282    H    LYS   7           H        LYS   7 -13.554   5.576   1.673
  283    HA   LYS   7           HA       LYS   7 -11.425   7.393   1.079
  284   1HB   LYS   7          1HB       LYS   7 -12.975   6.671   3.526
  285   2HB   LYS   7          2HB       LYS   7 -11.424   7.471   3.741
  286   1HG   LYS   7          1HG       LYS   7 -13.129   9.131   3.758
  287   2HG   LYS   7          2HG       LYS   7 -12.228   9.296   2.252
  288   1HD   LYS   7          1HD       LYS   7 -14.013   8.034   1.089
  289   2HD   LYS   7          2HD       LYS   7 -14.913   7.961   2.609
  290   1HE   LYS   7          1HE       LYS   7 -14.948  10.428   2.677
  291   2HE   LYS   7          2HE       LYS   7 -14.137  10.463   1.111
  292   1HZ   LYS   7          1HZ       LYS   7 -16.053   9.188   0.220
  293   2HZ   LYS   7          2HZ       LYS   7 -16.841   9.402   1.712
  294   3HZ   LYS   7          3HZ       LYS   7 -16.449  10.745   0.753
  295    H    ARG   8           H        ARG   8 -11.699   4.216   2.514
  296    HA   ARG   8           HA       ARG   8  -9.071   3.980   3.542
  297   1HB   ARG   8          1HB       ARG   8 -10.875   2.410   4.143
  298   2HB   ARG   8          2HB       ARG   8 -10.907   1.817   2.488
  299   1HG   ARG   8          1HG       ARG   8  -9.682   0.234   3.742
  300   2HG   ARG   8          2HG       ARG   8  -8.494   1.146   2.805
  301   1HD   ARG   8          1HD       ARG   8  -8.215   2.612   4.850
  302   2HD   ARG   8          2HD       ARG   8  -9.163   1.407   5.720
  303    HE   ARG   8           HE       ARG   8  -7.068   0.087   4.424
  304   1HH1  ARG   8          1HH1      ARG   8  -7.558   2.370   7.033
  305   2HH1  ARG   8          2HH1      ARG   8  -6.110   1.911   7.873
  306   1HH2  ARG   8          1HH2      ARG   8  -5.133  -0.512   5.530
  307   2HH2  ARG   8          2HH2      ARG   8  -4.735   0.300   7.023
  308    H    VAL   9           H        VAL   9 -10.538   3.179   0.438
  309    HA   VAL   9           HA       VAL   9  -8.319   2.028  -0.801
  310    HB   VAL   9           HB       VAL   9 -10.577   3.628  -2.018
  311   1HG1  VAL   9          1HG1      VAL   9  -8.184   2.462  -3.210
  312   2HG1  VAL   9          2HG1      VAL   9  -9.682   1.895  -3.950
  313   3HG1  VAL   9          3HG1      VAL   9  -9.333   3.624  -3.872
  314   1HG2  VAL   9          1HG2      VAL   9 -10.679   1.205  -0.760
  315   2HG2  VAL   9          2HG2      VAL   9 -11.816   1.764  -1.991
  316   3HG2  VAL   9          3HG2      VAL   9 -10.457   0.744  -2.448
  317    H    GLN  10           H        GLN  10  -9.468   5.398  -0.956
  318    HA   GLN  10           HA       GLN  10  -7.357   6.396  -2.494
  319   1HB   GLN  10          1HB       GLN  10  -9.033   7.837  -0.437
  320   2HB   GLN  10          2HB       GLN  10  -8.036   8.613  -1.660
  321   1HG   GLN  10          1HG       GLN  10 -10.402   6.825  -2.189
  322   2HG   GLN  10          2HG       GLN  10 -10.394   8.583  -2.297
  323   1HE2  GLN  10          1HE2      GLN  10  -9.417   8.581  -5.594
  324   2HE2  GLN  10          2HE2      GLN  10 -10.196   9.359  -4.256
  325    H    ALA  11           H        ALA  11  -7.661   6.028   1.009
  326    HA   ALA  11           HA       ALA  11  -5.292   7.427   1.686
  327   1HB   ALA  11          1HB       ALA  11  -7.344   6.167   3.087
  328   2HB   ALA  11          2HB       ALA  11  -5.888   5.267   3.510
  329   3HB   ALA  11          3HB       ALA  11  -5.955   7.009   3.774
  330    H    LEU  12           H        LEU  12  -6.023   4.046   0.995
  331    HA   LEU  12           HA       LEU  12  -3.439   3.028   1.519
  332   1HB   LEU  12          1HB       LEU  12  -5.761   2.014  -0.086
  333   2HB   LEU  12          2HB       LEU  12  -4.241   1.153  -0.051
  334    HG   LEU  12           HG       LEU  12  -5.739   1.832   2.465
  335   1HD1  LEU  12          1HD1      LEU  12  -6.914   0.337   0.608
  336   2HD1  LEU  12          2HD1      LEU  12  -5.855  -0.893   1.297
  337   3HD1  LEU  12          3HD1      LEU  12  -7.014  -0.052   2.326
  338   1HD2  LEU  12          1HD2      LEU  12  -3.536  -0.083   1.718
  339   2HD2  LEU  12          2HD2      LEU  12  -3.456   1.274   2.844
  340   3HD2  LEU  12          3HD2      LEU  12  -4.405  -0.156   3.251
  341    H    LYS  13           H        LYS  13  -5.037   3.977  -1.539
  342    HA   LYS  13           HA       LYS  13  -2.880   3.340  -3.218
  343   1HB   LYS  13          1HB       LYS  13  -4.855   5.592  -3.659
  344   2HB   LYS  13          2HB       LYS  13  -3.901   4.776  -4.887
  345   1HG   LYS  13          1HG       LYS  13  -6.330   3.841  -3.440
  346   2HG   LYS  13          2HG       LYS  13  -5.955   3.799  -5.164
  347   1HD   LYS  13          1HD       LYS  13  -4.193   2.074  -4.599
  348   2HD   LYS  13          2HD       LYS  13  -4.888   2.024  -2.982
  349   1HE   LYS  13          1HE       LYS  13  -5.818   0.224  -4.259
  350   2HE   LYS  13          2HE       LYS  13  -7.068   1.428  -3.962
  351   1HZ   LYS  13          1HZ       LYS  13  -6.246   2.279  -6.304
  352   2HZ   LYS  13          2HZ       LYS  13  -5.787   0.654  -6.471
  353   3HZ   LYS  13          3HZ       LYS  13  -7.403   1.037  -6.158
  354    H    ALA  14           H        ALA  14  -3.619   6.346  -1.476
  355    HA   ALA  14           HA       ALA  14  -1.497   7.863  -2.588
  356   1HB   ALA  14          1HB       ALA  14  -3.602   8.389  -0.886
  357   2HB   ALA  14          2HB       ALA  14  -2.187   8.595   0.145
  358   3HB   ALA  14          3HB       ALA  14  -2.333   9.523  -1.347
  359    H    ARG  15           H        ARG  15  -1.721   5.592   0.036
  360    HA   ARG  15           HA       ARG  15   0.904   6.193   1.098
  361   1HB   ARG  15          1HB       ARG  15  -0.830   5.373   2.604
  362   2HB   ARG  15          2HB       ARG  15  -1.027   3.924   1.630
  363   1HG   ARG  15          1HG       ARG  15   0.220   3.280   3.508
  364   2HG   ARG  15          2HG       ARG  15   1.372   3.376   2.177
  365   1HD   ARG  15          1HD       ARG  15   1.964   5.673   2.965
  366   2HD   ARG  15          2HD       ARG  15   0.945   5.394   4.377
  367    HE   ARG  15           HE       ARG  15   3.592   4.509   4.031
  368   1HH1  ARG  15          1HH1      ARG  15   0.526   3.410   5.340
  369   2HH1  ARG  15          2HH1      ARG  15   1.242   2.202   6.358
  370   1HH2  ARG  15          1HH2      ARG  15   4.544   2.916   5.359
  371   2HH2  ARG  15          2HH2      ARG  15   3.529   1.904   6.353
  372    H    ASN  16           H        ASN  16  -0.624   3.786  -0.926
  373    HA   ASN  16           HA       ASN  16   1.535   2.022  -1.230
  374   1HB   ASN  16          1HB       ASN  16  -1.018   2.586  -2.660
  375   2HB   ASN  16          2HB       ASN  16   0.175   1.609  -3.492
  376   1HD2  ASN  16          1HD2      ASN  16  -0.947  -1.238  -1.898
  377   2HD2  ASN  16          2HD2      ASN  16  -0.373  -0.452  -3.328
  378    H    TYR  17           H        TYR  17   0.507   4.878  -3.038
  379    HA   TYR  17           HA       TYR  17   2.356   4.707  -5.150
  380   1HB   TYR  17          1HB       TYR  17   0.359   6.270  -4.956
  381   2HB   TYR  17          2HB       TYR  17   1.340   7.257  -3.880
  382    HD1  TYR  17           HD1      TYR  17   1.593   5.697  -7.272
  383    HD2  TYR  17           HD2      TYR  17   2.450   9.044  -4.792
  384    HE1  TYR  17           HE1      TYR  17   2.552   6.873  -9.207
  385    HE2  TYR  17           HE2      TYR  17   3.411  10.234  -6.718
  386    HH   TYR  17           HH       TYR  17   4.387   8.836  -9.446
  387    H    ALA  18           H        ALA  18   2.500   6.349  -2.026
  388    HA   ALA  18           HA       ALA  18   5.092   7.421  -2.317
  389   1HB   ALA  18          1HB       ALA  18   3.434   8.201  -0.658
  390   2HB   ALA  18          2HB       ALA  18   3.673   6.702   0.242
  391   3HB   ALA  18          3HB       ALA  18   5.007   7.840   0.055
  392    H    ALA  19           H        ALA  19   3.904   4.434  -0.825
  393    HA   ALA  19           HA       ALA  19   6.376   3.525   0.158
  394   1HB   ALA  19          1HB       ALA  19   4.129   2.652   0.804
  395   2HB   ALA  19          2HB       ALA  19   4.079   1.794  -0.735
  396   3HB   ALA  19          3HB       ALA  19   5.323   1.404   0.452
  397    H    LYS  20           H        LYS  20   4.771   2.994  -2.981
  398    HA   LYS  20           HA       LYS  20   6.637   1.144  -4.002
  399   1HB   LYS  20          1HB       LYS  20   4.857   3.155  -5.388
  400   2HB   LYS  20          2HB       LYS  20   5.874   2.024  -6.267
  401   1HG   LYS  20          1HG       LYS  20   4.690   0.149  -5.238
  402   2HG   LYS  20          2HG       LYS  20   3.665   1.285  -4.356
  403   1HD   LYS  20          1HD       LYS  20   2.832   2.180  -6.468
  404   2HD   LYS  20          2HD       LYS  20   3.874   1.067  -7.357
  405   1HE   LYS  20          1HE       LYS  20   2.690  -0.829  -6.371
  406   2HE   LYS  20          2HE       LYS  20   1.655   0.284  -5.474
  407   1HZ   LYS  20          1HZ       LYS  20   1.846   0.234  -8.434
  408   2HZ   LYS  20          2HZ       LYS  20   0.655  -0.596  -7.556
  409   3HZ   LYS  20          3HZ       LYS  20   0.731   1.097  -7.492
  410    H    GLN  21           H        GLN  21   6.514   4.654  -4.016
  411    HA   GLN  21           HA       GLN  21   8.868   5.016  -5.588
  412   1HB   GLN  21          1HB       GLN  21   6.898   6.696  -4.320
  413   2HB   GLN  21          2HB       GLN  21   8.503   7.264  -3.880
  414   1HG   GLN  21          1HG       GLN  21   7.786   8.428  -5.832
  415   2HG   GLN  21          2HG       GLN  21   9.089   7.330  -6.280
  416   1HE2  GLN  21          1HE2      GLN  21   5.532   5.689  -7.310
  417   2HE2  GLN  21          2HE2      GLN  21   5.932   6.039  -5.659
  418    H    LYS  22           H        LYS  22   8.207   4.552  -2.186
  419    HA   LYS  22           HA       LYS  22  10.788   5.313  -1.272
  420   1HB   LYS  22          1HB       LYS  22   8.614   3.602  -0.082
  421   2HB   LYS  22          2HB       LYS  22  10.175   3.772   0.705
  422   1HG   LYS  22          1HG       LYS  22   9.698   6.324   0.473
  423   2HG   LYS  22          2HG       LYS  22   8.023   5.792   0.309
  424   1HD   LYS  22          1HD       LYS  22   8.419   6.248   2.619
  425   2HD   LYS  22          2HD       LYS  22   8.313   4.497   2.432
  426   1HE   LYS  22          1HE       LYS  22  10.143   5.049   3.906
  427   2HE   LYS  22          2HE       LYS  22  10.775   4.386   2.400
  428   1HZ   LYS  22          1HZ       LYS  22  10.511   7.301   2.703
  429   2HZ   LYS  22          2HZ       LYS  22  11.828   6.503   3.416
  430   3HZ   LYS  22          3HZ       LYS  22  11.590   6.416   1.739
  431    H    VAL  23           H        VAL  23   9.299   2.224  -2.177
  432    HA   VAL  23           HA       VAL  23  11.467   0.542  -1.658
  433    HB   VAL  23           HB       VAL  23   9.444   0.292  -3.899
  434   1HG1  VAL  23          1HG1      VAL  23  11.750  -1.189  -3.503
  435   2HG1  VAL  23          2HG1      VAL  23  10.474  -2.178  -2.790
  436   3HG1  VAL  23          3HG1      VAL  23  10.353  -1.657  -4.471
  437   1HG2  VAL  23          1HG2      VAL  23   8.949   0.293  -1.196
  438   2HG2  VAL  23          2HG2      VAL  23   7.932  -0.450  -2.430
  439   3HG2  VAL  23          3HG2      VAL  23   9.121  -1.424  -1.565
  440    H    GLN  24           H        GLN  24  10.635   2.272  -4.658
  441    HA   GLN  24           HA       GLN  24  12.918   1.368  -6.081
  442   1HB   GLN  24          1HB       GLN  24  12.273   2.968  -7.785
  443   2HB   GLN  24          2HB       GLN  24  10.847   2.142  -7.180
  444   1HG   GLN  24          1HG       GLN  24  10.497   4.145  -5.686
  445   2HG   GLN  24          2HG       GLN  24  11.733   4.949  -6.654
  446   1HE2  GLN  24          1HE2      GLN  24   9.443   5.950  -8.999
  447   2HE2  GLN  24          2HE2      GLN  24  10.905   6.221  -8.115
  448    H    ALA  25           H        ALA  25  12.358   4.105  -3.975
  449    HA   ALA  25           HA       ALA  25  14.775   5.473  -4.743
  450   1HB   ALA  25          1HB       ALA  25  12.491   6.171  -3.327
  451   2HB   ALA  25          2HB       ALA  25  13.780   6.192  -2.123
  452   3HB   ALA  25          3HB       ALA  25  13.920   7.173  -3.585
  453    H    LEU  26           H        LEU  26  13.735   3.432  -2.047
  454    HA   LEU  26           HA       LEU  26  16.121   3.539  -0.562
  455   1HB   LEU  26          1HB       LEU  26  14.056   1.343  -0.741
  456   2HB   LEU  26          2HB       LEU  26  15.321   1.424   0.467
  457    HG   LEU  26           HG       LEU  26  13.127   3.472   0.151
  458   1HD1  LEU  26          1HD1      LEU  26  13.016   0.880   1.244
  459   2HD1  LEU  26          2HD1      LEU  26  13.026   2.013   2.596
  460   3HD1  LEU  26          3HD1      LEU  26  11.803   2.156   1.333
  461   1HD2  LEU  26          1HD2      LEU  26  15.575   3.753   1.358
  462   2HD2  LEU  26          2HD2      LEU  26  14.129   4.689   1.734
  463   3HD2  LEU  26          3HD2      LEU  26  14.531   3.265   2.694
  464    H    ARG  27           H        ARG  27  15.005   1.316  -3.105
  465    HA   ARG  27           HA       ARG  27  17.235  -0.404  -2.989
  466   1HB   ARG  27          1HB       ARG  27  15.097   0.156  -5.001
  467   2HB   ARG  27          2HB       ARG  27  16.469  -0.847  -5.459
  468   1HG   ARG  27          1HG       ARG  27  15.959  -2.467  -3.831
  469   2HG   ARG  27          2HG       ARG  27  14.828  -1.389  -3.010
  470   1HD   ARG  27          1HD       ARG  27  13.255  -1.563  -4.766
  471   2HD   ARG  27          2HD       ARG  27  14.423  -2.345  -5.820
  472    HE   ARG  27           HE       ARG  27  12.748  -3.607  -3.912
  473   1HH1  ARG  27          1HH1      ARG  27  15.902  -3.837  -5.411
  474   2HH1  ARG  27          2HH1      ARG  27  16.115  -5.513  -5.007
  475   1HH2  ARG  27          1HH2      ARG  27  13.032  -5.810  -3.365
  476   2HH2  ARG  27          2HH2      ARG  27  14.512  -6.615  -3.805
  477    H    HIS  28           H        HIS  28  16.697   2.656  -4.537
  478    HA   HIS  28           HA       HIS  28  18.982   2.510  -6.266
  479   1HB   HIS  28          1HB       HIS  28  16.921   3.926  -6.652
  480   2HB   HIS  28          2HB       HIS  28  17.483   4.968  -5.350
  481    HD1  HIS  28           HD1      HIS  28  17.166   6.419  -7.887
  482    HD2  HIS  28           HD2      HIS  28  20.634   4.278  -7.055
  483    HE1  HIS  28           HE1      HIS  28  18.972   7.406  -9.348
  484    H    LYS  29           H        LYS  29  18.208   4.015  -3.167
  485    HA   LYS  29           HA       LYS  29  20.757   5.240  -2.803
  486   1HB   LYS  29          1HB       LYS  29  18.702   6.076  -1.734
  487   2HB   LYS  29          2HB       LYS  29  18.588   4.593  -0.798
  488   1HG   LYS  29          1HG       LYS  29  20.726   5.147   0.289
  489   2HG   LYS  29          2HG       LYS  29  20.762   6.666  -0.610
  490   1HD   LYS  29          1HD       LYS  29  19.901   7.012   1.649
  491   2HD   LYS  29          2HD       LYS  29  18.654   7.332   0.441
  492   1HE   LYS  29          1HE       LYS  29  17.647   5.171   0.855
  493   2HE   LYS  29          2HE       LYS  29  18.951   4.738   1.958
  494   1HZ   LYS  29          1HZ       LYS  29  18.165   6.884   3.180
  495   2HZ   LYS  29          2HZ       LYS  29  16.706   6.590   2.362
  496   3HZ   LYS  29          3HZ       LYS  29  17.348   5.416   3.412
  497    H    CYS  30           H        CYS  30  19.224   2.341  -1.484
  498    HA   CYS  30           HA       CYS  30  21.874   1.211  -0.945
  499   1HB   CYS  30          1HB       CYS  30  19.649   1.378   1.098
  500   2HB   CYS  30          2HB       CYS  30  21.090   0.389   1.281
  501    H    GLY  31           H        GLY  31  21.299  -0.033  -2.846
  502   1HA   GLY  31          1HA       GLY  31  19.249  -2.091  -2.298
  503   2HA   GLY  31          2HA       GLY  31  19.768  -1.598  -3.904
  504   1HN   NH2  32          1HN       NH2  32  21.061  -2.976  -4.880
  505   2HN   NH2  32          2HN       NH2  32  22.154  -4.079  -4.111
  Start of MODEL   20
    1   1H    ACE   0          1H        ACE   0 -17.997   2.224  -5.593
    2   2H    ACE   0          2H        ACE   0 -19.222   1.937  -6.834
    3   3H    ACE   0          3H        ACE   0 -17.834   0.852  -6.694
    4    H    GLU   1           H        GLU   1 -19.229  -0.949  -6.444
    5    HA   GLU   1           HA       GLU   1 -21.179  -1.093  -4.367
    6   1HB   GLU   1          1HB       GLU   1 -21.055  -2.514  -6.492
    7   2HB   GLU   1          2HB       GLU   1 -19.800  -3.434  -5.679
    8   1HG   GLU   1          1HG       GLU   1 -21.636  -4.696  -5.205
    9   2HG   GLU   1          2HG       GLU   1 -21.587  -3.650  -3.793
   10    H    VAL   2           H        VAL   2 -21.049  -2.326  -2.416
   11    HA   VAL   2           HA       VAL   2 -18.819  -1.911  -0.836
   12    HB   VAL   2           HB       VAL   2 -20.747  -4.199  -0.444
   13   1HG1  VAL   2          1HG1      VAL   2 -18.602  -3.889   0.985
   14   2HG1  VAL   2          2HG1      VAL   2 -19.501  -2.566   1.727
   15   3HG1  VAL   2          3HG1      VAL   2 -20.140  -4.210   1.787
   16   1HG2  VAL   2          1HG2      VAL   2 -21.066  -1.265   0.011
   17   2HG2  VAL   2          2HG2      VAL   2 -22.204  -2.419  -0.681
   18   3HG2  VAL   2          3HG2      VAL   2 -21.891  -2.423   1.055
   19    H    ALA   3           H        ALA   3 -19.774  -4.987  -2.395
   20    HA   ALA   3           HA       ALA   3 -17.596  -6.526  -1.601
   21   1HB   ALA   3          1HB       ALA   3 -19.500  -6.649  -3.882
   22   2HB   ALA   3          2HB       ALA   3 -18.078  -7.691  -3.920
   23   3HB   ALA   3          3HB       ALA   3 -19.220  -7.806  -2.582
   24    H    GLN   4           H        GLN   4 -17.958  -4.526  -4.502
   25    HA   GLN   4           HA       GLN   4 -15.530  -5.095  -5.748
   26   1HB   GLN   4          1HB       GLN   4 -16.955  -2.437  -5.712
   27   2HB   GLN   4          2HB       GLN   4 -15.832  -3.004  -6.942
   28   1HG   GLN   4          1HG       GLN   4 -18.502  -4.254  -6.336
   29   2HG   GLN   4          2HG       GLN   4 -18.184  -3.129  -7.653
   30   1HE2  GLN   4          1HE2      GLN   4 -15.802  -5.839  -8.904
   31   2HE2  GLN   4          2HE2      GLN   4 -15.488  -4.363  -8.053
   32    H    LEU   5           H        LEU   5 -16.373  -2.567  -3.444
   33    HA   LEU   5           HA       LEU   5 -13.836  -1.360  -3.298
   34   1HB   LEU   5          1HB       LEU   5 -16.180  -1.426  -1.418
   35   2HB   LEU   5          2HB       LEU   5 -14.755  -0.444  -1.129
   36    HG   LEU   5           HG       LEU   5 -16.562  -0.202  -3.536
   37   1HD1  LEU   5          1HD1      LEU   5 -16.353   1.493  -1.058
   38   2HD1  LEU   5          2HD1      LEU   5 -17.300   1.889  -2.495
   39   3HD1  LEU   5          3HD1      LEU   5 -17.717   0.478  -1.529
   40   1HD2  LEU   5          1HD2      LEU   5 -14.159   1.349  -2.610
   41   2HD2  LEU   5          2HD2      LEU   5 -14.397   0.525  -4.151
   42   3HD2  LEU   5          3HD2      LEU   5 -15.319   1.981  -3.778
   43    H    GLU   6           H        GLU   6 -15.367  -3.929  -1.393
   44    HA   GLU   6           HA       GLU   6 -13.364  -4.206   0.569
   45   1HB   GLU   6          1HB       GLU   6 -15.247  -6.258  -0.625
   46   2HB   GLU   6          2HB       GLU   6 -14.205  -6.582   0.750
   47   1HG   GLU   6          1HG       GLU   6 -16.212  -4.354   0.764
   48   2HG   GLU   6          2HG       GLU   6 -16.632  -6.004   1.215
   49    H    LYS   7           H        LYS   7 -13.731  -5.598  -2.653
   50    HA   LYS   7           HA       LYS   7 -11.433  -7.278  -2.527
   51   1HB   LYS   7          1HB       LYS   7 -12.957  -6.171  -4.895
   52   2HB   LYS   7          2HB       LYS   7 -11.715  -7.411  -4.999
   53   1HG   LYS   7          1HG       LYS   7 -13.032  -8.967  -3.810
   54   2HG   LYS   7          2HG       LYS   7 -14.186  -7.728  -3.322
   55   1HD   LYS   7          1HD       LYS   7 -15.296  -8.837  -5.041
   56   2HD   LYS   7          2HD       LYS   7 -14.605  -7.431  -5.849
   57   1HE   LYS   7          1HE       LYS   7 -13.219 -10.100  -5.788
   58   2HE   LYS   7          2HE       LYS   7 -14.385  -9.672  -7.037
   59   1HZ   LYS   7          1HZ       LYS   7 -12.707  -7.553  -7.023
   60   2HZ   LYS   7          2HZ       LYS   7 -11.646  -8.839  -6.713
   61   3HZ   LYS   7          3HZ       LYS   7 -12.625  -8.857  -8.101
   62    H    GLU   8           H        GLU   8 -12.012  -3.957  -3.410
   63    HA   GLU   8           HA       GLU   8  -9.473  -3.487  -4.641
   64   1HB   GLU   8          1HB       GLU   8 -11.528  -2.145  -5.082
   65   2HB   GLU   8          2HB       GLU   8 -11.452  -1.534  -3.437
   66   1HG   GLU   8          1HG       GLU   8 -10.561   0.136  -4.811
   67   2HG   GLU   8          2HG       GLU   8  -9.187  -0.610  -3.999
   68    H    VAL   9           H        VAL   9 -10.870  -2.992  -1.433
   69    HA   VAL   9           HA       VAL   9  -8.679  -1.661  -0.271
   70    HB   VAL   9           HB       VAL   9 -10.853  -3.357   0.984
   71   1HG1  VAL   9          1HG1      VAL   9  -8.392  -2.460   2.150
   72   2HG1  VAL   9          2HG1      VAL   9  -9.736  -1.588   2.888
   73   3HG1  VAL   9          3HG1      VAL   9  -9.715  -3.351   2.902
   74   1HG2  VAL   9          1HG2      VAL   9 -11.218  -1.028  -0.177
   75   2HG2  VAL   9          2HG2      VAL   9 -12.009  -1.407   1.354
   76   3HG2  VAL   9          3HG2      VAL   9 -10.554  -0.412   1.335
   77    H    ALA  10           H        ALA  10  -9.585  -5.075  -0.421
   78    HA   ALA  10           HA       ALA  10  -7.379  -6.040   1.048
   79   1HB   ALA  10          1HB       ALA  10  -9.447  -7.325   0.655
   80   2HB   ALA  10          2HB       ALA  10  -8.982  -7.508  -1.037
   81   3HB   ALA  10          3HB       ALA  10  -7.989  -8.222   0.233
   82    H    GLN  11           H        GLN  11  -7.793  -5.073  -2.239
   83    HA   GLN  11           HA       GLN  11  -5.537  -6.400  -3.360
   84   1HB   GLN  11          1HB       GLN  11  -7.558  -5.344  -4.574
   85   2HB   GLN  11          2HB       GLN  11  -6.729  -3.812  -4.344
   86   1HG   GLN  11          1HG       GLN  11  -6.286  -4.661  -6.553
   87   2HG   GLN  11          2HG       GLN  11  -4.804  -4.664  -5.598
   88   1HE2  GLN  11          1HE2      GLN  11  -4.191  -7.969  -6.366
   89   2HE2  GLN  11          2HE2      GLN  11  -3.615  -6.353  -6.102
   90    H    ALA  12           H        ALA  12  -6.161  -3.103  -2.230
   91    HA   ALA  12           HA       ALA  12  -3.502  -2.196  -2.608
   92   1HB   ALA  12          1HB       ALA  12  -5.541  -0.744  -2.463
   93   2HB   ALA  12          2HB       ALA  12  -5.520  -1.018  -0.721
   94   3HB   ALA  12          3HB       ALA  12  -4.163  -0.205  -1.501
   95    H    GLU  13           H        GLU  13  -5.265  -3.497   0.169
   96    HA   GLU  13           HA       GLU  13  -3.357  -3.065   2.167
   97   1HB   GLU  13          1HB       GLU  13  -5.578  -5.014   1.764
   98   2HB   GLU  13          2HB       GLU  13  -4.419  -5.347   3.039
   99   1HG   GLU  13          1HG       GLU  13  -5.974  -2.783   2.793
  100   2HG   GLU  13          2HG       GLU  13  -6.462  -4.159   3.783
  101    H    ALA  14           H        ALA  14  -3.715  -5.709  -0.145
  102    HA   ALA  14           HA       ALA  14  -1.679  -7.374   0.853
  103   1HB   ALA  14          1HB       ALA  14  -3.452  -7.355  -1.364
  104   2HB   ALA  14          2HB       ALA  14  -1.821  -7.639  -1.975
  105   3HB   ALA  14          3HB       ALA  14  -2.496  -8.696  -0.735
  106    H    GLU  15           H        GLU  15  -1.635  -4.984  -1.792
  107    HA   GLU  15           HA       GLU  15   1.105  -5.202  -2.365
  108   1HB   GLU  15          1HB       GLU  15  -0.956  -3.091  -2.850
  109   2HB   GLU  15          2HB       GLU  15   0.736  -2.726  -3.151
  110   1HG   GLU  15          1HG       GLU  15   0.830  -4.680  -4.670
  111   2HG   GLU  15          2HG       GLU  15  -0.904  -4.883  -4.441
  112    H    ASN  16           H        ASN  16  -0.670  -2.959  -0.267
  113    HA   ASN  16           HA       ASN  16   1.429  -1.357   0.561
  114   1HB   ASN  16          1HB       ASN  16  -1.083  -1.144   1.058
  115   2HB   ASN  16          2HB       ASN  16  -0.797  -2.235   2.404
  116   1HD2  ASN  16          1HD2      ASN  16  -0.138   1.661   2.817
  117   2HD2  ASN  16          2HD2      ASN  16  -0.989   0.929   1.491
  118    H    TYR  17           H        TYR  17   0.325  -4.432   1.892
  119    HA   TYR  17           HA       TYR  17   2.055  -4.578   4.094
  120   1HB   TYR  17          1HB       TYR  17   0.094  -6.095   3.606
  121   2HB   TYR  17          2HB       TYR  17   1.093  -6.899   2.404
  122    HD1  TYR  17           HD1      TYR  17   2.951  -5.822   5.255
  123    HD2  TYR  17           HD2      TYR  17   0.468  -8.954   3.806
  124    HE1  TYR  17           HE1      TYR  17   3.832  -7.311   6.993
  125    HE2  TYR  17           HE2      TYR  17   1.341 -10.457   5.548
  126    HH   TYR  17           HH       TYR  17   3.020  -9.386   8.218
  127    H    GLN  18           H        GLN  18   2.445  -5.626   0.741
  128    HA   GLN  18           HA       GLN  18   5.021  -6.773   1.097
  129   1HB   GLN  18          1HB       GLN  18   3.695  -5.752  -1.421
  130   2HB   GLN  18          2HB       GLN  18   5.141  -6.752  -1.366
  131   1HG   GLN  18          1HG       GLN  18   3.841  -8.536  -0.293
  132   2HG   GLN  18          2HG       GLN  18   2.397  -7.536  -0.411
  133   1HE2  GLN  18          1HE2      GLN  18   3.463  -7.955  -4.189
  134   2HE2  GLN  18          2HE2      GLN  18   4.125  -6.811  -3.075
  135    H    LEU  19           H        LEU  19   3.880  -3.573   0.185
  136    HA   LEU  19           HA       LEU  19   6.380  -2.543  -0.644
  137   1HB   LEU  19          1HB       LEU  19   4.134  -0.944   0.577
  138   2HB   LEU  19          2HB       LEU  19   5.391  -0.366  -0.497
  139    HG   LEU  19           HG       LEU  19   3.043  -2.115  -1.183
  140   1HD1  LEU  19          1HD1      LEU  19   3.882   0.680  -1.735
  141   2HD1  LEU  19          2HD1      LEU  19   2.908  -0.181  -2.926
  142   3HD1  LEU  19          3HD1      LEU  19   2.304   0.037  -1.285
  143   1HD2  LEU  19          1HD2      LEU  19   5.433  -1.429  -2.879
  144   2HD2  LEU  19          2HD2      LEU  19   4.920  -3.036  -2.360
  145   3HD2  LEU  19          3HD2      LEU  19   3.927  -2.116  -3.488
  146    H    GLU  20           H        GLU  20   4.607  -2.166   2.425
  147    HA   GLU  20           HA       GLU  20   6.596  -0.747   3.793
  148   1HB   GLU  20          1HB       GLU  20   4.428  -2.596   4.794
  149   2HB   GLU  20          2HB       GLU  20   5.439  -1.628   5.858
  150   1HG   GLU  20          1HG       GLU  20   3.694  -0.504   3.680
  151   2HG   GLU  20          2HG       GLU  20   3.227  -0.624   5.376
  152    H    GLN  21           H        GLN  21   6.056  -4.213   3.445
  153    HA   GLN  21           HA       GLN  21   8.012  -5.099   5.261
  154   1HB   GLN  21          1HB       GLN  21   6.134  -6.410   4.063
  155   2HB   GLN  21          2HB       GLN  21   7.276  -6.559   2.736
  156   1HG   GLN  21          1HG       GLN  21   7.380  -8.536   4.053
  157   2HG   GLN  21          2HG       GLN  21   8.872  -7.632   4.288
  158   1HE2  GLN  21          1HE2      GLN  21   6.637  -8.658   7.409
  159   2HE2  GLN  21          2HE2      GLN  21   6.449  -9.277   5.804
  160    H    GLU  22           H        GLU  22   8.126  -4.322   1.826
  161    HA   GLU  22           HA       GLU  22  10.829  -5.101   1.423
  162   1HB   GLU  22          1HB       GLU  22   8.959  -4.800  -0.310
  163   2HB   GLU  22          2HB       GLU  22   9.299  -3.079  -0.204
  164   1HG   GLU  22          1HG       GLU  22  10.472  -3.859  -2.064
  165   2HG   GLU  22          2HG       GLU  22  11.680  -3.637  -0.800
  166    H    VAL  23           H        VAL  23   9.201  -2.001   1.990
  167    HA   VAL  23           HA       VAL  23  11.423  -0.318   1.813
  168    HB   VAL  23           HB       VAL  23   8.839  -0.054   3.347
  169   1HG1  VAL  23          1HG1      VAL  23  11.042   1.996   3.116
  170   2HG1  VAL  23          2HG1      VAL  23   9.417   2.317   3.723
  171   3HG1  VAL  23          3HG1      VAL  23  10.486   1.218   4.597
  172   1HG2  VAL  23          1HG2      VAL  23   9.219   0.112   0.729
  173   2HG2  VAL  23          2HG2      VAL  23   8.089   1.172   1.572
  174   3HG2  VAL  23          3HG2      VAL  23   9.698   1.756   1.154
  175    H    ALA  24           H        ALA  24  10.034  -1.951   4.664
  176    HA   ALA  24           HA       ALA  24  11.778  -0.957   6.594
  177   1HB   ALA  24          1HB       ALA  24   9.708  -2.696   6.639
  178   2HB   ALA  24          2HB       ALA  24  11.065  -3.793   6.894
  179   3HB   ALA  24          3HB       ALA  24  10.812  -2.436   7.991
  180    H    GLN  25           H        GLN  25  12.090  -3.792   4.510
  181    HA   GLN  25           HA       GLN  25  14.543  -4.734   5.503
  182   1HB   GLN  25          1HB       GLN  25  13.080  -6.091   4.094
  183   2HB   GLN  25          2HB       GLN  25  13.323  -4.988   2.747
  184   1HG   GLN  25          1HG       GLN  25  15.697  -5.583   2.698
  185   2HG   GLN  25          2HG       GLN  25  15.436  -6.707   4.030
  186   1HE2  GLN  25          1HE2      GLN  25  14.838  -7.884   0.286
  187   2HE2  GLN  25          2HE2      GLN  25  15.675  -6.448   0.759
  188    H    LEU  26           H        LEU  26  13.832  -2.738   2.642
  189    HA   LEU  26           HA       LEU  26  16.485  -2.323   1.870
  190   1HB   LEU  26          1HB       LEU  26  14.056  -0.603   1.417
  191   2HB   LEU  26          2HB       LEU  26  15.592  -0.381   0.600
  192    HG   LEU  26           HG       LEU  26  13.813  -2.814   0.392
  193   1HD1  LEU  26          1HD1      LEU  26  14.379  -0.522  -1.476
  194   2HD1  LEU  26          2HD1      LEU  26  13.663  -2.044  -2.005
  195   3HD1  LEU  26          3HD1      LEU  26  12.822  -1.036  -0.825
  196   1HD2  LEU  26          1HD2      LEU  26  16.492  -2.169  -0.824
  197   2HD2  LEU  26          2HD2      LEU  26  16.062  -3.552   0.181
  198   3HD2  LEU  26          3HD2      LEU  26  15.417  -3.416  -1.455
  199    H    GLU  27           H        GLU  27  14.396  -0.280   3.918
  200    HA   GLU  27           HA       GLU  27  16.262   1.791   4.324
  201   1HB   GLU  27          1HB       GLU  27  13.960   0.800   6.009
  202   2HB   GLU  27          2HB       GLU  27  14.909   2.215   6.437
  203   1HG   GLU  27          1HG       GLU  27  13.665   2.046   3.733
  204   2HG   GLU  27          2HG       GLU  27  12.667   2.456   5.126
  205    H    HIS  28           H        HIS  28  15.660  -1.197   6.077
  206    HA   HIS  28           HA       HIS  28  17.456  -0.722   8.208
  207   1HB   HIS  28          1HB       HIS  28  15.627  -2.340   8.339
  208   2HB   HIS  28          2HB       HIS  28  16.379  -3.316   7.088
  209    HD1  HIS  28           HD1      HIS  28  17.832  -1.912  10.345
  210    HD2  HIS  28           HD2      HIS  28  17.258  -5.494   8.321
  211    HE1  HIS  28           HE1      HIS  28  18.900  -3.711  11.767
  212    H    GLU  29           H        GLU  29  17.819  -2.399   5.099
  213    HA   GLU  29           HA       GLU  29  20.494  -3.242   5.630
  214   1HB   GLU  29          1HB       GLU  29  18.956  -3.003   3.042
  215   2HB   GLU  29          2HB       GLU  29  20.556  -3.720   3.175
  216   1HG   GLU  29          1HG       GLU  29  18.152  -4.721   4.678
  217   2HG   GLU  29          2HG       GLU  29  18.650  -5.336   3.102
  218    H    CYS  30           H        CYS  30  19.020  -0.479   4.084
  219    HA   CYS  30           HA       CYS  30  21.394   0.574   2.940
  220   1HB   CYS  30          1HB       CYS  30  19.073   1.193   2.239
  221   2HB   CYS  30          2HB       CYS  30  18.911   2.103   3.737
  222    H    GLY  31           H        GLY  31  19.746   1.129   6.026
  223   1HA   GLY  31          1HA       GLY  31  21.995   2.848   6.848
  224   2HA   GLY  31          2HA       GLY  31  20.406   2.829   7.601
  225   1HN   NH2  32          1HN       NH2  32  22.304   0.031   6.718
  226   2HN   NH2  32          2HN       NH2  32  22.541  -0.559   8.331
  227   1H    ACE   0          1H        ACE   0 -19.926  -3.371   4.472
  228   2H    ACE   0          2H        ACE   0 -20.064  -2.719   6.107
  229   3H    ACE   0          3H        ACE   0 -18.562  -2.517   5.199
  230    H    GLU   1           H        GLU   1 -18.720  -0.234   5.512
  231    HA   GLU   1           HA       GLU   1 -20.958   1.118   4.233
  232   1HB   GLU   1          1HB       GLU   1 -20.257   2.010   6.364
  233   2HB   GLU   1          2HB       GLU   1 -18.606   2.181   5.793
  234   1HG   GLU   1          1HG       GLU   1 -19.725   4.325   5.860
  235   2HG   GLU   1          2HG       GLU   1 -19.317   3.886   4.205
  236    H    VAL   2           H        VAL   2 -20.921   1.728   2.219
  237    HA   VAL   2           HA       VAL   2 -18.882   1.231   0.414
  238    HB   VAL   2           HB       VAL   2 -21.177   3.186   0.226
  239   1HG1  VAL   2          1HG1      VAL   2 -18.905   2.984  -1.476
  240   2HG1  VAL   2          2HG1      VAL   2 -20.313   2.371  -2.343
  241   3HG1  VAL   2          3HG1      VAL   2 -20.338   3.995  -1.660
  242   1HG2  VAL   2          1HG2      VAL   2 -20.888   0.320  -0.125
  243   2HG2  VAL   2          2HG2      VAL   2 -22.349   1.299   0.012
  244   3HG2  VAL   2          3HG2      VAL   2 -21.562   1.104  -1.553
  245    H    GLN   3           H        GLN   3 -19.857   4.430   1.680
  246    HA   GLN   3           HA       GLN   3 -17.767   5.870   0.521
  247   1HB   GLN   3          1HB       GLN   3 -19.765   6.911   1.522
  248   2HB   GLN   3          2HB       GLN   3 -19.191   6.462   3.122
  249   1HG   GLN   3          1HG       GLN   3 -17.268   7.903   2.880
  250   2HG   GLN   3          2HG       GLN   3 -17.733   8.291   1.225
  251   1HE2  GLN   3          1HE2      GLN   3 -19.074  10.533   4.175
  252   2HE2  GLN   3          2HE2      GLN   3 -17.733   9.439   4.271
  253    H    ALA   4           H        ALA   4 -17.955   4.216   3.626
  254    HA   ALA   4           HA       ALA   4 -15.567   5.064   4.775
  255   1HB   ALA   4          1HB       ALA   4 -17.580   3.347   5.459
  256   2HB   ALA   4          2HB       ALA   4 -16.204   2.260   5.268
  257   3HB   ALA   4          3HB       ALA   4 -16.105   3.618   6.389
  258    H    LEU   5           H        LEU   5 -16.176   2.232   2.722
  259    HA   LEU   5           HA       LEU   5 -13.509   1.295   2.727
  260   1HB   LEU   5          1HB       LEU   5 -15.749   0.853   0.752
  261   2HB   LEU   5          2HB       LEU   5 -14.229  -0.019   0.731
  262    HG   LEU   5           HG       LEU   5 -16.186  -0.066   3.025
  263   1HD1  LEU   5          1HD1      LEU   5 -15.986  -1.651   0.549
  264   2HD1  LEU   5          2HD1      LEU   5 -16.200  -2.572   2.037
  265   3HD1  LEU   5          3HD1      LEU   5 -17.375  -1.337   1.590
  266   1HD2  LEU   5          1HD2      LEU   5 -13.457  -1.015   2.658
  267   2HD2  LEU   5          2HD2      LEU   5 -14.399  -0.820   4.137
  268   3HD2  LEU   5          3HD2      LEU   5 -14.571  -2.284   3.167
  269    H    LYS   6           H        LYS   6 -15.200   3.642   0.732
  270    HA   LYS   6           HA       LYS   6 -13.304   3.768  -1.359
  271   1HB   LYS   6          1HB       LYS   6 -15.227   5.846  -0.300
  272   2HB   LYS   6          2HB       LYS   6 -14.296   6.028  -1.780
  273   1HG   LYS   6          1HG       LYS   6 -15.435   4.198  -2.807
  274   2HG   LYS   6          2HG       LYS   6 -16.230   3.780  -1.290
  275   1HD   LYS   6          1HD       LYS   6 -17.774   4.944  -2.741
  276   2HD   LYS   6          2HD       LYS   6 -17.406   5.938  -1.332
  277   1HE   LYS   6          1HE       LYS   6 -15.777   7.196  -2.663
  278   2HE   LYS   6          2HE       LYS   6 -16.176   6.214  -4.072
  279   1HZ   LYS   6          1HZ       LYS   6 -18.122   7.913  -2.611
  280   2HZ   LYS   6          2HZ       LYS   6 -17.308   8.387  -4.021
  281   3HZ   LYS   6          3HZ       LYS   6 -18.392   7.079  -4.060
  282    H    LYS   7           H        LYS   7 -13.625   5.403   1.734
  283    HA   LYS   7           HA       LYS   7 -11.446   7.180   1.362
  284   1HB   LYS   7          1HB       LYS   7 -12.236   6.147   4.069
  285   2HB   LYS   7          2HB       LYS   7 -11.635   7.735   3.634
  286   1HG   LYS   7          1HG       LYS   7 -14.387   6.620   3.190
  287   2HG   LYS   7          2HG       LYS   7 -13.908   7.962   4.224
  288   1HD   LYS   7          1HD       LYS   7 -13.655   7.953   1.218
  289   2HD   LYS   7          2HD       LYS   7 -15.023   8.636   2.095
  290   1HE   LYS   7          1HE       LYS   7 -13.710  10.504   1.733
  291   2HE   LYS   7          2HE       LYS   7 -13.225  10.020   3.356
  292   1HZ   LYS   7          1HZ       LYS   7 -11.743   9.206   0.917
  293   2HZ   LYS   7          2HZ       LYS   7 -11.382  10.617   1.786
  294   3HZ   LYS   7          3HZ       LYS   7 -11.225   9.103   2.529
  295    H    ARG   8           H        ARG   8 -11.790   3.914   2.586
  296    HA   ARG   8           HA       ARG   8  -9.188   3.573   3.629
  297   1HB   ARG   8          1HB       ARG   8 -11.091   2.034   4.078
  298   2HB   ARG   8          2HB       ARG   8 -11.019   1.492   2.407
  299   1HG   ARG   8          1HG       ARG   8  -9.898  -0.144   3.667
  300   2HG   ARG   8          2HG       ARG   8  -8.634   0.796   2.865
  301   1HD   ARG   8          1HD       ARG   8  -8.480   2.164   4.968
  302   2HD   ARG   8          2HD       ARG   8  -9.543   0.977   5.724
  303    HE   ARG   8           HE       ARG   8  -7.299  -0.291   4.532
  304   1HH1  ARG   8          1HH1      ARG   8  -8.248   1.597   7.325
  305   2HH1  ARG   8          2HH1      ARG   8  -6.955   1.001   8.324
  306   1HH2  ARG   8          1HH2      ARG   8  -5.564  -1.042   5.827
  307   2HH2  ARG   8          2HH2      ARG   8  -5.441  -0.496   7.476
  308    H    VAL   9           H        VAL   9 -10.626   2.898   0.463
  309    HA   VAL   9           HA       VAL   9  -8.403   1.764  -0.772
  310    HB   VAL   9           HB       VAL   9 -10.640   3.400  -1.968
  311   1HG1  VAL   9          1HG1      VAL   9  -8.305   2.904  -3.247
  312   2HG1  VAL   9          2HG1      VAL   9  -9.235   1.465  -3.667
  313   3HG1  VAL   9          3HG1      VAL   9  -9.867   3.069  -4.048
  314   1HG2  VAL   9          1HG2      VAL   9 -10.215   0.442  -1.620
  315   2HG2  VAL   9          2HG2      VAL   9 -11.501   1.442  -0.945
  316   3HG2  VAL   9          3HG2      VAL   9 -11.445   1.134  -2.680
  317    H    GLN  10           H        GLN  10  -9.464   5.163  -0.741
  318    HA   GLN  10           HA       GLN  10  -7.290   6.120  -2.263
  319   1HB   GLN  10          1HB       GLN  10  -9.060   7.607  -0.318
  320   2HB   GLN  10          2HB       GLN  10  -7.988   8.354  -1.496
  321   1HG   GLN  10          1HG       GLN  10 -10.367   6.610  -2.098
  322   2HG   GLN  10          2HG       GLN  10 -10.268   8.356  -2.296
  323   1HE2  GLN  10          1HE2      GLN  10  -9.191   8.063  -5.557
  324   2HE2  GLN  10          2HE2      GLN  10 -10.099   8.908  -4.347
  325    H    ALA  11           H        ALA  11  -7.747   5.692   1.209
  326    HA   ALA  11           HA       ALA  11  -5.424   7.102   2.018
  327   1HB   ALA  11          1HB       ALA  11  -7.511   5.915   3.338
  328   2HB   ALA  11          2HB       ALA  11  -6.168   4.834   3.711
  329   3HB   ALA  11          3HB       ALA  11  -6.053   6.551   4.102
  330    H    LEU  12           H        LEU  12  -6.081   3.742   1.222
  331    HA   LEU  12           HA       LEU  12  -3.512   2.725   1.802
  332   1HB   LEU  12          1HB       LEU  12  -5.783   1.775   0.090
  333   2HB   LEU  12          2HB       LEU  12  -4.259   0.915   0.121
  334    HG   LEU  12           HG       LEU  12  -5.823   1.484   2.624
  335   1HD1  LEU  12          1HD1      LEU  12  -6.378  -0.436   0.501
  336   2HD1  LEU  12          2HD1      LEU  12  -6.131  -1.198   2.073
  337   3HD1  LEU  12          3HD1      LEU  12  -7.367   0.045   1.879
  338   1HD2  LEU  12          1HD2      LEU  12  -3.272   0.373   2.008
  339   2HD2  LEU  12          2HD2      LEU  12  -4.029   0.596   3.586
  340   3HD2  LEU  12          3HD2      LEU  12  -4.296  -0.894   2.680
  341    H    LYS  13           H        LYS  13  -5.040   3.720  -1.260
  342    HA   LYS  13           HA       LYS  13  -2.860   3.273  -2.944
  343   1HB   LYS  13          1HB       LYS  13  -5.318   4.898  -3.036
  344   2HB   LYS  13          2HB       LYS  13  -4.018   5.488  -4.058
  345   1HG   LYS  13          1HG       LYS  13  -5.574   4.000  -5.243
  346   2HG   LYS  13          2HG       LYS  13  -3.921   3.391  -5.237
  347   1HD   LYS  13          1HD       LYS  13  -4.448   1.803  -3.520
  348   2HD   LYS  13          2HD       LYS  13  -6.056   2.496  -3.306
  349   1HE   LYS  13          1HE       LYS  13  -6.176   0.440  -4.601
  350   2HE   LYS  13          2HE       LYS  13  -6.640   1.824  -5.588
  351   1HZ   LYS  13          1HZ       LYS  13  -4.348   1.817  -6.504
  352   2HZ   LYS  13          2HZ       LYS  13  -4.042   0.380  -5.652
  353   3HZ   LYS  13          3HZ       LYS  13  -5.227   0.414  -6.865
  354    H    ALA  14           H        ALA  14  -3.622   6.038  -0.875
  355    HA   ALA  14           HA       ALA  14  -1.612   7.784  -1.818
  356   1HB   ALA  14          1HB       ALA  14  -3.020   7.565   0.832
  357   2HB   ALA  14          2HB       ALA  14  -1.804   8.802   0.510
  358   3HB   ALA  14          3HB       ALA  14  -3.279   8.743  -0.455
  359    H    ARG  15           H        ARG  15  -1.614   5.270   0.636
  360    HA   ARG  15           HA       ARG  15   1.091   5.725   1.486
  361   1HB   ARG  15          1HB       ARG  15  -0.734   3.332   1.821
  362   2HB   ARG  15          2HB       ARG  15   0.838   3.492   2.586
  363   1HG   ARG  15          1HG       ARG  15  -1.462   5.372   3.037
  364   2HG   ARG  15          2HG       ARG  15  -1.079   3.992   4.067
  365   1HD   ARG  15          1HD       ARG  15   0.635   6.406   3.535
  366   2HD   ARG  15          2HD       ARG  15  -0.153   5.958   5.042
  367    HE   ARG  15           HE       ARG  15   1.534   3.858   4.340
  368   1HH1  ARG  15          1HH1      ARG  15   1.792   7.228   5.254
  369   2HH1  ARG  15          2HH1      ARG  15   3.354   7.049   5.989
  370   1HH2  ARG  15          1HH2      ARG  15   3.573   3.603   5.328
  371   2HH2  ARG  15          2HH2      ARG  15   4.355   4.972   6.051
  372    H    ASN  16           H        ASN  16  -0.550   3.422  -0.591
  373    HA   ASN  16           HA       ASN  16   1.606   1.821  -1.297
  374   1HB   ASN  16          1HB       ASN  16  -1.023   2.502  -2.573
  375   2HB   ASN  16          2HB       ASN  16   0.115   1.472  -3.414
  376   1HD2  ASN  16          1HD2      ASN  16  -1.090  -1.320  -1.785
  377   2HD2  ASN  16          2HD2      ASN  16  -0.527  -0.566  -3.230
  378    H    TYR  17           H        TYR  17   0.284   4.704  -2.846
  379    HA   TYR  17           HA       TYR  17   1.939   4.815  -5.091
  380   1HB   TYR  17          1HB       TYR  17  -0.174   6.188  -4.347
  381   2HB   TYR  17          2HB       TYR  17   1.012   7.290  -3.670
  382    HD1  TYR  17           HD1      TYR  17   2.957   7.936  -5.426
  383    HD2  TYR  17           HD2      TYR  17  -0.955   6.625  -6.453
  384    HE1  TYR  17           HE1      TYR  17   3.175   9.017  -7.623
  385    HE2  TYR  17           HE2      TYR  17  -0.747   7.700  -8.652
  386    HH   TYR  17           HH       TYR  17   0.514   8.935  -9.988
  387    H    ALA  18           H        ALA  18   2.395   6.114  -1.818
  388    HA   ALA  18           HA       ALA  18   4.883   7.397  -2.459
  389   1HB   ALA  18          1HB       ALA  18   3.343   8.120  -0.617
  390   2HB   ALA  18          2HB       ALA  18   3.871   6.701   0.288
  391   3HB   ALA  18          3HB       ALA  18   5.036   7.949  -0.154
  392    H    ALA  19           H        ALA  19   3.977   4.434  -0.736
  393    HA   ALA  19           HA       ALA  19   6.554   3.631  -0.006
  394   1HB   ALA  19          1HB       ALA  19   4.126   2.714   0.574
  395   2HB   ALA  19          2HB       ALA  19   4.587   1.523  -0.642
  396   3HB   ALA  19          3HB       ALA  19   5.589   1.752   0.790
  397    H    LYS  20           H        LYS  20   4.711   3.008  -2.967
  398    HA   LYS  20           HA       LYS  20   6.465   1.126  -4.088
  399   1HB   LYS  20          1HB       LYS  20   4.471   3.041  -5.240
  400   2HB   LYS  20          2HB       LYS  20   5.503   2.098  -6.311
  401   1HG   LYS  20          1HG       LYS  20   4.646   0.046  -5.446
  402   2HG   LYS  20          2HG       LYS  20   3.787   0.889  -4.158
  403   1HD   LYS  20          1HD       LYS  20   2.325   1.941  -5.784
  404   2HD   LYS  20          2HD       LYS  20   3.214   1.176  -7.105
  405   1HE   LYS  20          1HE       LYS  20   2.556  -1.014  -6.329
  406   2HE   LYS  20          2HE       LYS  20   1.778  -0.317  -4.913
  407   1HZ   LYS  20          1HZ       LYS  20   0.467   0.967  -6.808
  408   2HZ   LYS  20          2HZ       LYS  20   0.853  -0.444  -7.665
  409   3HZ   LYS  20          3HZ       LYS  20  -0.020  -0.556  -6.224
  410    H    GLN  21           H        GLN  21   6.472   4.648  -4.178
  411    HA   GLN  21           HA       GLN  21   8.727   4.850  -5.926
  412   1HB   GLN  21          1HB       GLN  21   7.573   6.850  -3.971
  413   2HB   GLN  21          2HB       GLN  21   8.800   7.211  -5.177
  414   1HG   GLN  21          1HG       GLN  21   7.258   6.736  -6.955
  415   2HG   GLN  21          2HG       GLN  21   6.030   6.219  -5.796
  416   1HE2  GLN  21          1HE2      GLN  21   4.740   9.385  -5.446
  417   2HE2  GLN  21          2HE2      GLN  21   4.561   7.659  -5.347
  418    H    LYS  22           H        LYS  22   8.203   4.607  -2.494
  419    HA   LYS  22           HA       LYS  22  10.805   5.274  -1.631
  420   1HB   LYS  22          1HB       LYS  22   8.369   4.287  -0.464
  421   2HB   LYS  22          2HB       LYS  22   9.722   3.336   0.127
  422   1HG   LYS  22          1HG       LYS  22   9.543   6.340   0.246
  423   2HG   LYS  22          2HG       LYS  22   9.174   5.243   1.579
  424   1HD   LYS  22          1HD       LYS  22  11.499   4.363   1.414
  425   2HD   LYS  22          2HD       LYS  22  11.840   5.599   0.204
  426   1HE   LYS  22          1HE       LYS  22  11.243   7.330   1.856
  427   2HE   LYS  22          2HE       LYS  22  10.999   6.067   3.058
  428   1HZ   LYS  22          1HZ       LYS  22  13.571   6.125   1.673
  429   2HZ   LYS  22          2HZ       LYS  22  13.280   7.346   2.809
  430   3HZ   LYS  22          3HZ       LYS  22  13.217   5.713   3.286
  431    H    VAL  23           H        VAL  23   9.252   2.161  -2.356
  432    HA   VAL  23           HA       VAL  23  11.393   0.473  -1.788
  433    HB   VAL  23           HB       VAL  23   9.326   0.132  -3.980
  434   1HG1  VAL  23          1HG1      VAL  23  11.461  -1.334  -3.929
  435   2HG1  VAL  23          2HG1      VAL  23  10.685  -2.106  -2.547
  436   3HG1  VAL  23          3HG1      VAL  23   9.884  -2.106  -4.118
  437   1HG2  VAL  23          1HG2      VAL  23   8.950   0.245  -1.202
  438   2HG2  VAL  23          2HG2      VAL  23   7.800  -0.303  -2.420
  439   3HG2  VAL  23          3HG2      VAL  23   8.867  -1.465  -1.633
  440    H    GLN  24           H        GLN  24  10.530   2.029  -4.871
  441    HA   GLN  24           HA       GLN  24  12.722   1.011  -6.331
  442   1HB   GLN  24          1HB       GLN  24  11.029   3.468  -6.787
  443   2HB   GLN  24          2HB       GLN  24  12.183   2.831  -7.949
  444   1HG   GLN  24          1HG       GLN  24   9.804   1.315  -6.897
  445   2HG   GLN  24          2HG       GLN  24   9.848   2.193  -8.425
  446   1HE2  GLN  24          1HE2      GLN  24  11.225  -0.435 -10.171
  447   2HE2  GLN  24          2HE2      GLN  24  10.328   1.059 -10.145
  448    H    ALA  25           H        ALA  25  12.292   3.930  -4.422
  449    HA   ALA  25           HA       ALA  25  14.735   5.156  -5.225
  450   1HB   ALA  25          1HB       ALA  25  12.679   6.231  -4.089
  451   2HB   ALA  25          2HB       ALA  25  13.418   5.684  -2.586
  452   3HB   ALA  25          3HB       ALA  25  14.284   6.805  -3.638
  453    H    LEU  26           H        LEU  26  13.763   3.198  -2.451
  454    HA   LEU  26           HA       LEU  26  16.226   3.260  -1.090
  455   1HB   LEU  26          1HB       LEU  26  14.019   1.205  -1.078
  456   2HB   LEU  26          2HB       LEU  26  15.374   1.201   0.035
  457    HG   LEU  26           HG       LEU  26  13.350   3.427  -0.188
  458   1HD1  LEU  26          1HD1      LEU  26  12.591   1.133   0.707
  459   2HD1  LEU  26          2HD1      LEU  26  13.590   1.526   2.106
  460   3HD1  LEU  26          3HD1      LEU  26  12.246   2.577   1.661
  461   1HD2  LEU  26          1HD2      LEU  26  15.934   3.396   0.877
  462   2HD2  LEU  26          2HD2      LEU  26  14.682   4.615   1.126
  463   3HD2  LEU  26          3HD2      LEU  26  14.848   3.273   2.260
  464    H    ARG  27           H        ARG  27  14.906   1.014  -3.503
  465    HA   ARG  27           HA       ARG  27  17.082  -0.801  -3.427
  466   1HB   ARG  27          1HB       ARG  27  14.784  -0.293  -5.249
  467   2HB   ARG  27          2HB       ARG  27  16.124  -1.256  -5.862
  468   1HG   ARG  27          1HG       ARG  27  15.794  -2.942  -4.318
  469   2HG   ARG  27          2HG       ARG  27  14.879  -1.900  -3.227
  470   1HD   ARG  27          1HD       ARG  27  12.979  -1.946  -4.643
  471   2HD   ARG  27          2HD       ARG  27  13.896  -2.674  -5.958
  472    HE   ARG  27           HE       ARG  27  12.700  -4.025  -3.728
  473   1HH1  ARG  27          1HH1      ARG  27  15.181  -4.219  -6.207
  474   2HH1  ARG  27          2HH1      ARG  27  15.422  -5.928  -5.991
  475   1HH2  ARG  27          1HH2      ARG  27  13.018  -6.255  -3.454
  476   2HH2  ARG  27          2HH2      ARG  27  14.182  -7.084  -4.457
  477    H    HIS  28           H        HIS  28  16.574   2.241  -4.980
  478    HA   HIS  28           HA       HIS  28  18.724   1.912  -6.881
  479   1HB   HIS  28          1HB       HIS  28  16.654   3.400  -7.169
  480   2HB   HIS  28          2HB       HIS  28  17.443   4.512  -6.055
  481    HD1  HIS  28           HD1      HIS  28  18.336   2.749  -9.326
  482    HD2  HIS  28           HD2      HIS  28  18.916   6.355  -7.327
  483    HE1  HIS  28           HE1      HIS  28  19.658   4.231 -10.894
  484    H    LYS  29           H        LYS  29  18.168   3.572  -3.823
  485    HA   LYS  29           HA       LYS  29  20.765   4.756  -3.692
  486   1HB   LYS  29          1HB       LYS  29  18.755   5.698  -2.577
  487   2HB   LYS  29          2HB       LYS  29  18.736   4.313  -1.493
  488   1HG   LYS  29          1HG       LYS  29  20.958   4.969  -0.662
  489   2HG   LYS  29          2HG       LYS  29  20.903   6.391  -1.703
  490   1HD   LYS  29          1HD       LYS  29  18.885   7.157  -0.534
  491   2HD   LYS  29          2HD       LYS  29  18.975   5.751   0.528
  492   1HE   LYS  29          1HE       LYS  29  21.066   7.909   0.269
  493   2HE   LYS  29          2HE       LYS  29  19.914   7.750   1.590
  494   1HZ   LYS  29          1HZ       LYS  29  21.533   5.406   1.051
  495   2HZ   LYS  29          2HZ       LYS  29  22.381   6.748   1.635
  496   3HZ   LYS  29          3HZ       LYS  29  21.089   6.104   2.531
  497    H    CYS  30           H        CYS  30  19.235   1.944  -2.207
  498    HA   CYS  30           HA       CYS  30  21.870   0.786  -1.680
  499   1HB   CYS  30          1HB       CYS  30  19.711   1.068   0.424
  500   2HB   CYS  30          2HB       CYS  30  21.177   0.115   0.606
  501    H    GLY  31           H        GLY  31  21.202  -0.554  -3.482
  502   1HA   GLY  31          1HA       GLY  31  19.413  -2.722  -2.591
  503   2HA   GLY  31          2HA       GLY  31  19.216  -2.018  -4.190
  504   1HN   NH2  32          1HN       NH2  32  20.710  -4.411  -2.409
  505   2HN   NH2  32          2HN       NH2  32  21.891  -4.913  -3.571
  Start of MODEL   21
    1   1H    ACE   0          1H        ACE   0 -19.216   1.484  -6.853
    2   2H    ACE   0          2H        ACE   0 -18.247   2.000  -5.470
    3   3H    ACE   0          3H        ACE   0 -19.860   2.672  -5.716
    4    H    GLU   1           H        GLU   1 -19.245  -0.694  -6.321
    5    HA   GLU   1           HA       GLU   1 -21.181  -1.440  -4.315
    6   1HB   GLU   1          1HB       GLU   1 -21.140  -2.556  -6.505
    7   2HB   GLU   1          2HB       GLU   1 -19.518  -3.146  -6.165
    8   1HG   GLU   1          1HG       GLU   1 -20.318  -4.526  -4.394
    9   2HG   GLU   1          2HG       GLU   1 -21.942  -3.845  -4.541
   10    H    VAL   2           H        VAL   2 -20.826  -2.651  -2.478
   11    HA   VAL   2           HA       VAL   2 -18.482  -2.223  -1.037
   12    HB   VAL   2           HB       VAL   2 -20.440  -4.478  -0.593
   13   1HG1  VAL   2          1HG1      VAL   2 -18.309  -3.221   1.081
   14   2HG1  VAL   2          2HG1      VAL   2 -19.727  -3.939   1.844
   15   3HG1  VAL   2          3HG1      VAL   2 -18.682  -4.928   0.825
   16   1HG2  VAL   2          1HG2      VAL   2 -20.554  -1.581   0.180
   17   2HG2  VAL   2          2HG2      VAL   2 -21.779  -2.552  -0.639
   18   3HG2  VAL   2          3HG2      VAL   2 -21.435  -2.820   1.070
   19    H    ALA   3           H        ALA   3 -19.534  -5.146  -2.787
   20    HA   ALA   3           HA       ALA   3 -17.341  -6.765  -2.112
   21   1HB   ALA   3          1HB       ALA   3 -19.648  -7.072  -3.594
   22   2HB   ALA   3          2HB       ALA   3 -18.354  -7.301  -4.771
   23   3HB   ALA   3          3HB       ALA   3 -18.410  -8.298  -3.317
   24    H    GLN   4           H        GLN   4 -17.843  -4.550  -4.799
   25    HA   GLN   4           HA       GLN   4 -15.472  -5.163  -6.211
   26   1HB   GLN   4          1HB       GLN   4 -16.906  -2.511  -6.147
   27   2HB   GLN   4          2HB       GLN   4 -15.871  -3.123  -7.431
   28   1HG   GLN   4          1HG       GLN   4 -18.592  -4.150  -6.646
   29   2HG   GLN   4          2HG       GLN   4 -18.166  -3.275  -8.116
   30   1HE2  GLN   4          1HE2      GLN   4 -18.178  -7.166  -8.247
   31   2HE2  GLN   4          2HE2      GLN   4 -19.086  -6.153  -7.170
   32    H    LEU   5           H        LEU   5 -16.326  -2.639  -3.901
   33    HA   LEU   5           HA       LEU   5 -13.852  -1.336  -3.808
   34   1HB   LEU   5          1HB       LEU   5 -16.098  -1.580  -1.829
   35   2HB   LEU   5          2HB       LEU   5 -14.695  -0.564  -1.542
   36    HG   LEU   5           HG       LEU   5 -16.600  -0.267  -3.868
   37   1HD1  LEU   5          1HD1      LEU   5 -17.527   0.241  -1.577
   38   2HD1  LEU   5          2HD1      LEU   5 -16.333   1.534  -1.478
   39   3HD1  LEU   5          3HD1      LEU   5 -17.565   1.568  -2.739
   40   1HD2  LEU   5          1HD2      LEU   5 -14.100   1.132  -3.039
   41   2HD2  LEU   5          2HD2      LEU   5 -14.657   0.678  -4.650
   42   3HD2  LEU   5          3HD2      LEU   5 -15.381   2.056  -3.821
   43    H    GLU   6           H        GLU   6 -15.102  -4.101  -1.995
   44    HA   GLU   6           HA       GLU   6 -13.019  -4.308  -0.107
   45   1HB   GLU   6          1HB       GLU   6 -14.864  -6.357  -1.336
   46   2HB   GLU   6          2HB       GLU   6 -13.660  -6.797  -0.135
   47   1HG   GLU   6          1HG       GLU   6 -15.740  -4.691   0.355
   48   2HG   GLU   6          2HG       GLU   6 -16.008  -6.400   0.694
   49    H    LYS   7           H        LYS   7 -13.393  -5.623  -3.379
   50    HA   LYS   7           HA       LYS   7 -10.926  -7.052  -3.365
   51   1HB   LYS   7          1HB       LYS   7 -12.711  -6.105  -5.603
   52   2HB   LYS   7          2HB       LYS   7 -11.241  -7.030  -5.883
   53   1HG   LYS   7          1HG       LYS   7 -12.152  -8.846  -4.491
   54   2HG   LYS   7          2HG       LYS   7 -13.649  -7.927  -4.309
   55   1HD   LYS   7          1HD       LYS   7 -13.999  -8.001  -6.720
   56   2HD   LYS   7          2HD       LYS   7 -12.478  -8.876  -6.924
   57   1HE   LYS   7          1HE       LYS   7 -13.361 -10.710  -5.556
   58   2HE   LYS   7          2HE       LYS   7 -14.887  -9.846  -5.390
   59   1HZ   LYS   7          1HZ       LYS   7 -13.996 -10.219  -8.116
   60   2HZ   LYS   7          2HZ       LYS   7 -14.364 -11.655  -7.292
   61   3HZ   LYS   7          3HZ       LYS   7 -15.535 -10.434  -7.436
   62    H    GLU   8           H        GLU   8 -11.867  -3.793  -4.182
   63    HA   GLU   8           HA       GLU   8  -9.444  -3.042  -5.472
   64   1HB   GLU   8          1HB       GLU   8 -11.567  -1.818  -5.760
   65   2HB   GLU   8          2HB       GLU   8 -11.535  -1.356  -4.067
   66   1HG   GLU   8          1HG       GLU   8 -10.789   0.523  -5.174
   67   2HG   GLU   8          2HG       GLU   8  -9.305  -0.236  -4.606
   68    H    VAL   9           H        VAL   9 -10.706  -2.763  -2.171
   69    HA   VAL   9           HA       VAL   9  -8.492  -1.392  -1.071
   70    HB   VAL   9           HB       VAL   9 -10.593  -3.156   0.222
   71   1HG1  VAL   9          1HG1      VAL   9  -8.119  -2.039   1.332
   72   2HG1  VAL   9          2HG1      VAL   9  -9.568  -1.602   2.235
   73   3HG1  VAL   9          3HG1      VAL   9  -9.175  -3.302   1.967
   74   1HG2  VAL   9          1HG2      VAL   9 -11.222  -0.925  -0.790
   75   2HG2  VAL   9          2HG2      VAL   9 -11.619  -1.139   0.914
   76   3HG2  VAL   9          3HG2      VAL   9 -10.217  -0.175   0.449
   77    H    ALA  10           H        ALA  10  -9.346  -4.811  -1.286
   78    HA   ALA  10           HA       ALA  10  -7.058  -5.800   0.049
   79   1HB   ALA  10          1HB       ALA  10  -9.173  -6.969  -1.678
   80   2HB   ALA  10          2HB       ALA  10  -7.701  -7.905  -1.415
   81   3HB   ALA  10          3HB       ALA  10  -8.682  -7.399  -0.040
   82    H    GLN  11           H        GLN  11  -7.639  -4.754  -3.212
   83    HA   GLN  11           HA       GLN  11  -5.428  -6.028  -4.454
   84   1HB   GLN  11          1HB       GLN  11  -7.483  -4.868  -5.550
   85   2HB   GLN  11          2HB       GLN  11  -6.578  -3.381  -5.320
   86   1HG   GLN  11          1HG       GLN  11  -6.156  -4.078  -7.522
   87   2HG   GLN  11          2HG       GLN  11  -4.699  -4.432  -6.598
   88   1HE2  GLN  11          1HE2      GLN  11  -6.759  -7.870  -6.920
   89   2HE2  GLN  11          2HE2      GLN  11  -7.268  -6.548  -5.923
   90    H    ALA  12           H        ALA  12  -5.992  -2.808  -3.131
   91    HA   ALA  12           HA       ALA  12  -3.348  -1.882  -3.549
   92   1HB   ALA  12          1HB       ALA  12  -5.760  -0.881  -2.190
   93   2HB   ALA  12          2HB       ALA  12  -4.217  -0.244  -1.622
   94   3HB   ALA  12          3HB       ALA  12  -4.672  -0.072  -3.318
   95    H    GLU  13           H        GLU  13  -5.063  -3.220  -0.761
   96    HA   GLU  13           HA       GLU  13  -3.110  -2.918   1.185
   97   1HB   GLU  13          1HB       GLU  13  -5.366  -4.818   0.757
   98   2HB   GLU  13          2HB       GLU  13  -4.198  -5.198   2.012
   99   1HG   GLU  13          1HG       GLU  13  -5.575  -2.540   1.874
  100   2HG   GLU  13          2HG       GLU  13  -6.292  -3.928   2.690
  101    H    ALA  14           H        ALA  14  -3.540  -5.548  -1.162
  102    HA   ALA  14           HA       ALA  14  -1.540  -7.247  -0.208
  103   1HB   ALA  14          1HB       ALA  14  -3.237  -7.139  -2.466
  104   2HB   ALA  14          2HB       ALA  14  -1.592  -7.375  -3.058
  105   3HB   ALA  14          3HB       ALA  14  -2.278  -8.502  -1.888
  106    H    GLU  15           H        GLU  15  -1.326  -4.772  -2.780
  107    HA   GLU  15           HA       GLU  15   1.455  -5.066  -3.164
  108   1HB   GLU  15          1HB       GLU  15  -0.407  -2.768  -3.725
  109   2HB   GLU  15          2HB       GLU  15   1.306  -2.706  -4.100
  110   1HG   GLU  15          1HG       GLU  15   1.010  -4.700  -5.537
  111   2HG   GLU  15          2HG       GLU  15  -0.723  -4.593  -5.241
  112    H    ASN  16           H        ASN  16  -0.449  -2.733  -1.290
  113    HA   ASN  16           HA       ASN  16   1.562  -1.150  -0.287
  114   1HB   ASN  16          1HB       ASN  16  -0.973  -0.928  -0.016
  115   2HB   ASN  16          2HB       ASN  16  -0.817  -2.020   1.352
  116   1HD2  ASN  16          1HD2      ASN  16  -0.253   1.850   1.876
  117   2HD2  ASN  16          2HD2      ASN  16  -1.029   1.121   0.504
  118    H    TYR  17           H        TYR  17   0.290  -4.160   1.040
  119    HA   TYR  17           HA       TYR  17   1.798  -4.331   3.371
  120   1HB   TYR  17          1HB       TYR  17  -0.093  -5.845   2.753
  121   2HB   TYR  17          2HB       TYR  17   0.953  -6.612   1.567
  122    HD1  TYR  17           HD1      TYR  17   1.211  -5.688   5.189
  123    HD2  TYR  17           HD2      TYR  17   1.763  -8.660   2.196
  124    HE1  TYR  17           HE1      TYR  17   2.027  -7.255   6.900
  125    HE2  TYR  17           HE2      TYR  17   2.579 -10.235   3.897
  126    HH   TYR  17           HH       TYR  17   3.111  -9.216   7.236
  127    H    GLN  18           H        GLN  18   2.517  -5.411   0.093
  128    HA   GLN  18           HA       GLN  18   5.053  -6.551   0.705
  129   1HB   GLN  18          1HB       GLN  18   3.951  -5.573  -1.934
  130   2HB   GLN  18          2HB       GLN  18   5.378  -6.579  -1.738
  131   1HG   GLN  18          1HG       GLN  18   3.995  -8.358  -0.801
  132   2HG   GLN  18          2HG       GLN  18   2.565  -7.347  -0.999
  133   1HE2  GLN  18          1HE2      GLN  18   3.754  -9.661  -3.971
  134   2HE2  GLN  18          2HE2      GLN  18   4.244  -9.808  -2.316
  135    H    LEU  19           H        LEU  19   4.005  -3.434  -0.582
  136    HA   LEU  19           HA       LEU  19   6.507  -2.355  -1.182
  137   1HB   LEU  19          1HB       LEU  19   4.188  -0.762  -0.117
  138   2HB   LEU  19          2HB       LEU  19   5.472  -0.206  -1.165
  139    HG   LEU  19           HG       LEU  19   3.219  -2.066  -1.899
  140   1HD1  LEU  19          1HD1      LEU  19   3.392   0.708  -1.839
  141   2HD1  LEU  19          2HD1      LEU  19   3.578   0.264  -3.535
  142   3HD1  LEU  19          3HD1      LEU  19   2.160  -0.272  -2.635
  143   1HD2  LEU  19          1HD2      LEU  19   5.814  -1.633  -3.168
  144   2HD2  LEU  19          2HD2      LEU  19   4.644  -2.936  -3.379
  145   3HD2  LEU  19          3HD2      LEU  19   4.433  -1.412  -4.241
  146    H    GLU  20           H        GLU  20   4.592  -1.967   1.812
  147    HA   GLU  20           HA       GLU  20   6.491  -0.417   3.170
  148   1HB   GLU  20          1HB       GLU  20   4.327  -2.236   4.212
  149   2HB   GLU  20          2HB       GLU  20   5.310  -1.220   5.255
  150   1HG   GLU  20          1HG       GLU  20   4.523   0.725   3.792
  151   2HG   GLU  20          2HG       GLU  20   3.301  -0.396   3.192
  152    H    GLN  21           H        GLN  21   6.079  -3.937   3.061
  153    HA   GLN  21           HA       GLN  21   8.059  -4.515   4.996
  154   1HB   GLN  21          1HB       GLN  21   6.978  -6.167   2.713
  155   2HB   GLN  21          2HB       GLN  21   8.109  -6.786   3.907
  156   1HG   GLN  21          1HG       GLN  21   6.461  -6.226   5.674
  157   2HG   GLN  21          2HG       GLN  21   5.322  -5.780   4.405
  158   1HE2  GLN  21          1HE2      GLN  21   5.495  -9.519   5.597
  159   2HE2  GLN  21          2HE2      GLN  21   6.061  -8.137   6.475
  160    H    GLU  22           H        GLU  22   8.162  -4.193   1.478
  161    HA   GLU  22           HA       GLU  22  10.876  -4.899   1.135
  162   1HB   GLU  22          1HB       GLU  22   9.105  -4.729  -0.667
  163   2HB   GLU  22          2HB       GLU  22   9.256  -2.981  -0.558
  164   1HG   GLU  22          1HG       GLU  22  10.575  -3.590  -2.368
  165   2HG   GLU  22          2HG       GLU  22  11.720  -3.317  -1.055
  166    H    VAL  23           H        VAL  23   9.226  -1.782   1.599
  167    HA   VAL  23           HA       VAL  23  11.461  -0.115   1.369
  168    HB   VAL  23           HB       VAL  23   8.891   0.208   2.920
  169   1HG1  VAL  23          1HG1      VAL  23  11.258   2.046   2.784
  170   2HG1  VAL  23          2HG1      VAL  23   9.628   2.674   3.010
  171   3HG1  VAL  23          3HG1      VAL  23  10.314   1.557   4.192
  172   1HG2  VAL  23          1HG2      VAL  23   9.991   1.412   0.384
  173   2HG2  VAL  23          2HG2      VAL  23   8.619   0.314   0.543
  174   3HG2  VAL  23          3HG2      VAL  23   8.511   1.958   1.172
  175    H    ALA  24           H        ALA  24  10.074  -1.715   4.225
  176    HA   ALA  24           HA       ALA  24  11.881  -0.706   6.119
  177   1HB   ALA  24          1HB       ALA  24   9.802  -2.651   6.060
  178   2HB   ALA  24          2HB       ALA  24  11.214  -3.365   6.842
  179   3HB   ALA  24          3HB       ALA  24  10.531  -1.860   7.458
  180    H    GLN  25           H        GLN  25  11.954  -3.616   4.132
  181    HA   GLN  25           HA       GLN  25  14.320  -4.746   5.089
  182   1HB   GLN  25          1HB       GLN  25  12.580  -5.776   3.562
  183   2HB   GLN  25          2HB       GLN  25  13.306  -4.870   2.244
  184   1HG   GLN  25          1HG       GLN  25  15.084  -6.595   3.858
  185   2HG   GLN  25          2HG       GLN  25  13.934  -7.388   2.792
  186   1HE2  GLN  25          1HE2      GLN  25  15.756  -6.824  -0.081
  187   2HE2  GLN  25          2HE2      GLN  25  14.406  -7.568   0.714
  188    H    LEU  26           H        LEU  26  13.813  -2.726   2.208
  189    HA   LEU  26           HA       LEU  26  16.490  -2.467   1.471
  190   1HB   LEU  26          1HB       LEU  26  14.248  -0.497   1.043
  191   2HB   LEU  26          2HB       LEU  26  15.762  -0.533   0.161
  192    HG   LEU  26           HG       LEU  26  13.692  -2.733   0.122
  193   1HD1  LEU  26          1HD1      LEU  26  13.573  -0.263  -1.132
  194   2HD1  LEU  26          2HD1      LEU  26  14.187  -1.352  -2.375
  195   3HD1  LEU  26          3HD1      LEU  26  12.661  -1.710  -1.563
  196   1HD2  LEU  26          1HD2      LEU  26  16.220  -3.208  -0.280
  197   2HD2  LEU  26          2HD2      LEU  26  15.015  -3.865  -1.390
  198   3HD2  LEU  26          3HD2      LEU  26  15.926  -2.422  -1.832
  199    H    GLU  27           H        GLU  27  14.512  -0.283   3.485
  200    HA   GLU  27           HA       GLU  27  16.482   1.670   3.933
  201   1HB   GLU  27          1HB       GLU  27  14.112   0.772   5.560
  202   2HB   GLU  27          2HB       GLU  27  15.142   2.100   6.069
  203   1HG   GLU  27          1HG       GLU  27  13.856   2.087   3.370
  204   2HG   GLU  27          2HG       GLU  27  12.982   2.628   4.802
  205    H    HIS  28           H        HIS  28  15.683  -1.254   5.708
  206    HA   HIS  28           HA       HIS  28  17.471  -0.850   7.856
  207   1HB   HIS  28          1HB       HIS  28  15.453  -2.303   7.899
  208   2HB   HIS  28          2HB       HIS  28  16.280  -3.434   6.839
  209    HD1  HIS  28           HD1      HIS  28  17.320  -1.779  10.141
  210    HD2  HIS  28           HD2      HIS  28  17.053  -5.490   8.290
  211    HE1  HIS  28           HE1      HIS  28  18.154  -3.478  11.826
  212    H    GLU  29           H        GLU  29  17.840  -2.344   4.706
  213    HA   GLU  29           HA       GLU  29  20.432  -3.433   5.442
  214   1HB   GLU  29          1HB       GLU  29  18.893  -3.525   2.849
  215   2HB   GLU  29          2HB       GLU  29  20.474  -4.260   3.083
  216   1HG   GLU  29          1HG       GLU  29  17.909  -4.985   4.474
  217   2HG   GLU  29          2HG       GLU  29  18.799  -5.946   3.292
  218    H    CYS  30           H        CYS  30  19.093  -0.737   3.726
  219    HA   CYS  30           HA       CYS  30  21.609  -0.032   2.471
  220   1HB   CYS  30          1HB       CYS  30  19.372   0.391   1.408
  221   2HB   CYS  30          2HB       CYS  30  19.087   1.623   2.632
  222    H    GLY  31           H        GLY  31  19.763   0.936   5.296
  223   1HA   GLY  31          1HA       GLY  31  22.103   2.416   6.221
  224   2HA   GLY  31          2HA       GLY  31  20.602   3.320   6.075
  225   1HN   NH2  32          1HN       NH2  32  21.252   0.029   7.189
  226   2HN   NH2  32          2HN       NH2  32  20.548   0.230   8.758
  227   1H    ACE   0          1H        ACE   0 -16.846  -2.304   6.624
  228   2H    ACE   0          2H        ACE   0 -16.326  -0.618   6.567
  229   3H    ACE   0          3H        ACE   0 -15.635  -1.794   5.443
  230    H    GLU   1           H        GLU   1 -17.889   0.627   5.759
  231    HA   GLU   1           HA       GLU   1 -19.836  -0.467   3.921
  232   1HB   GLU   1          1HB       GLU   1 -20.765   1.912   4.056
  233   2HB   GLU   1          2HB       GLU   1 -20.858   0.910   5.496
  234   1HG   GLU   1          1HG       GLU   1 -18.834   2.063   6.341
  235   2HG   GLU   1          2HG       GLU   1 -18.899   3.120   4.928
  236    H    VAL   2           H        VAL   2 -20.534   1.104   2.091
  237    HA   VAL   2           HA       VAL   2 -18.575   1.084   0.120
  238    HB   VAL   2           HB       VAL   2 -21.133   2.676   0.324
  239   1HG1  VAL   2          1HG1      VAL   2 -18.975   2.875  -1.659
  240   2HG1  VAL   2          2HG1      VAL   2 -20.585   2.634  -2.336
  241   3HG1  VAL   2          3HG1      VAL   2 -20.276   4.004  -1.272
  242   1HG2  VAL   2          1HG2      VAL   2 -20.313   0.133  -1.046
  243   2HG2  VAL   2          2HG2      VAL   2 -21.628   0.395   0.100
  244   3HG2  VAL   2          3HG2      VAL   2 -21.745   1.033  -1.542
  245    H    GLN   3           H        GLN   3 -19.811   3.883   1.942
  246    HA   GLN   3           HA       GLN   3 -18.022   5.767   0.874
  247   1HB   GLN   3          1HB       GLN   3 -20.186   6.040   2.353
  248   2HB   GLN   3          2HB       GLN   3 -19.049   5.976   3.690
  249   1HG   GLN   3          1HG       GLN   3 -18.681   7.901   1.428
  250   2HG   GLN   3          2HG       GLN   3 -19.757   8.260   2.773
  251   1HE2  GLN   3          1HE2      GLN   3 -16.559   7.800   4.868
  252   2HE2  GLN   3          2HE2      GLN   3 -17.871   6.708   4.567
  253    H    ALA   4           H        ALA   4 -17.797   3.531   3.564
  254    HA   ALA   4           HA       ALA   4 -15.449   4.574   4.712
  255   1HB   ALA   4          1HB       ALA   4 -17.222   2.445   5.223
  256   2HB   ALA   4          2HB       ALA   4 -15.590   1.779   5.173
  257   3HB   ALA   4          3HB       ALA   4 -15.967   3.103   6.274
  258    H    LEU   5           H        LEU   5 -15.968   1.914   2.428
  259    HA   LEU   5           HA       LEU   5 -13.237   1.196   2.242
  260   1HB   LEU   5          1HB       LEU   5 -15.545   0.656   0.378
  261   2HB   LEU   5          2HB       LEU   5 -13.968  -0.100   0.251
  262    HG   LEU   5           HG       LEU   5 -15.817  -0.373   2.623
  263   1HD1  LEU   5          1HD1      LEU   5 -16.469  -1.435   0.347
  264   2HD1  LEU   5          2HD1      LEU   5 -15.169  -2.571   0.709
  265   3HD1  LEU   5          3HD1      LEU   5 -16.534  -2.408   1.815
  266   1HD2  LEU   5          1HD2      LEU   5 -13.046  -0.881   2.310
  267   2HD2  LEU   5          2HD2      LEU   5 -14.080  -1.238   3.695
  268   3HD2  LEU   5          3HD2      LEU   5 -13.880  -2.434   2.414
  269    H    LYS   6           H        LYS   6 -15.265   3.399   0.335
  270    HA   LYS   6           HA       LYS   6 -13.464   3.753  -1.799
  271   1HB   LYS   6          1HB       LYS   6 -15.525   5.622  -0.621
  272   2HB   LYS   6          2HB       LYS   6 -14.637   5.968  -2.098
  273   1HG   LYS   6          1HG       LYS   6 -15.577   4.033  -3.174
  274   2HG   LYS   6          2HG       LYS   6 -16.376   3.554  -1.677
  275   1HD   LYS   6          1HD       LYS   6 -18.010   4.593  -3.065
  276   2HD   LYS   6          2HD       LYS   6 -17.628   5.715  -1.758
  277   1HE   LYS   6          1HE       LYS   6 -16.154   6.965  -3.233
  278   2HE   LYS   6          2HE       LYS   6 -16.469   5.821  -4.540
  279   1HZ   LYS   6          1HZ       LYS   6 -18.728   7.202  -3.271
  280   2HZ   LYS   6          2HZ       LYS   6 -17.774   8.042  -4.394
  281   3HZ   LYS   6          3HZ       LYS   6 -18.575   6.622  -4.856
  282    H    LYS   7           H        LYS   7 -13.663   5.309   1.354
  283    HA   LYS   7           HA       LYS   7 -11.572   7.185   0.789
  284   1HB   LYS   7          1HB       LYS   7 -13.110   6.381   3.215
  285   2HB   LYS   7          2HB       LYS   7 -11.574   7.203   3.452
  286   1HG   LYS   7          1HG       LYS   7 -13.430   8.776   3.471
  287   2HG   LYS   7          2HG       LYS   7 -12.353   9.079   2.108
  288   1HD   LYS   7          1HD       LYS   7 -13.945   7.716   0.700
  289   2HD   LYS   7          2HD       LYS   7 -15.057   7.752   2.069
  290   1HE   LYS   7          1HE       LYS   7 -15.077  10.193   1.996
  291   2HE   LYS   7          2HE       LYS   7 -13.949  10.167   0.640
  292   1HZ   LYS   7          1HZ       LYS   7 -16.595   8.840   0.526
  293   2HZ   LYS   7          2HZ       LYS   7 -16.374  10.458   0.078
  294   3HZ   LYS   7          3HZ       LYS   7 -15.567   9.225  -0.761
  295    H    ARG   8           H        ARG   8 -11.778   3.944   2.041
  296    HA   ARG   8           HA       ARG   8  -9.140   3.726   3.067
  297   1HB   ARG   8          1HB       ARG   8 -10.917   2.094   3.594
  298   2HB   ARG   8          2HB       ARG   8 -10.927   1.575   1.914
  299   1HG   ARG   8          1HG       ARG   8  -9.668  -0.029   3.083
  300   2HG   ARG   8          2HG       ARG   8  -8.498   0.965   2.212
  301   1HD   ARG   8          1HD       ARG   8  -8.214   2.306   4.312
  302   2HD   ARG   8          2HD       ARG   8  -9.216   1.106   5.127
  303    HE   ARG   8           HE       ARG   8  -7.076  -0.185   3.815
  304   1HH1  ARG   8          1HH1      ARG   8  -7.685   1.922   6.536
  305   2HH1  ARG   8          2HH1      ARG   8  -6.378   1.294   7.490
  306   1HH2  ARG   8          1HH2      ARG   8  -5.270  -0.961   5.020
  307   2HH2  ARG   8          2HH2      ARG   8  -4.972  -0.302   6.610
  308    H    VAL   9           H        VAL   9 -10.626   3.116  -0.061
  309    HA   VAL   9           HA       VAL   9  -8.435   2.022  -1.401
  310    HB   VAL   9           HB       VAL   9 -10.715   3.690  -2.475
  311   1HG1  VAL   9          1HG1      VAL   9  -8.600   2.104  -3.924
  312   2HG1  VAL   9          2HG1      VAL   9 -10.113   2.620  -4.669
  313   3HG1  VAL   9          3HG1      VAL   9  -8.959   3.823  -4.087
  314   1HG2  VAL   9          1HG2      VAL   9 -11.117   1.429  -1.328
  315   2HG2  VAL   9          2HG2      VAL   9 -11.826   1.691  -2.922
  316   3HG2  VAL   9          3HG2      VAL   9 -10.359   0.725  -2.758
  317    H    GLN  10           H        GLN  10  -9.573   5.396  -1.330
  318    HA   GLN  10           HA       GLN  10  -7.507   6.494  -2.850
  319   1HB   GLN  10          1HB       GLN  10  -9.190   7.727  -0.675
  320   2HB   GLN  10          2HB       GLN  10  -8.114   8.645  -1.721
  321   1HG   GLN  10          1HG       GLN  10 -10.445   6.982  -2.642
  322   2HG   GLN  10          2HG       GLN  10 -10.440   8.735  -2.471
  323   1HE2  GLN  10          1HE2      GLN  10  -9.374   7.189  -5.910
  324   2HE2  GLN  10          2HE2      GLN  10 -10.342   6.422  -4.688
  325    H    ALA  11           H        ALA  11  -7.733   5.977   0.640
  326    HA   ALA  11           HA       ALA  11  -5.341   7.301   1.338
  327   1HB   ALA  11          1HB       ALA  11  -6.793   5.058   2.742
  328   2HB   ALA  11          2HB       ALA  11  -5.500   6.030   3.444
  329   3HB   ALA  11          3HB       ALA  11  -7.030   6.787   3.000
  330    H    LEU  12           H        LEU  12  -6.089   3.980   0.469
  331    HA   LEU  12           HA       LEU  12  -3.515   2.914   0.949
  332   1HB   LEU  12          1HB       LEU  12  -5.875   2.015  -0.657
  333   2HB   LEU  12          2HB       LEU  12  -4.363   1.136  -0.720
  334    HG   LEU  12           HG       LEU  12  -5.805   1.692   1.865
  335   1HD1  LEU  12          1HD1      LEU  12  -6.788   0.105  -0.172
  336   2HD1  LEU  12          2HD1      LEU  12  -5.929  -1.036   0.864
  337   3HD1  LEU  12          3HD1      LEU  12  -7.203  -0.017   1.536
  338   1HD2  LEU  12          1HD2      LEU  12  -3.403   1.157   1.973
  339   2HD2  LEU  12          2HD2      LEU  12  -4.399  -0.109   2.690
  340   3HD2  LEU  12          3HD2      LEU  12  -3.704  -0.334   1.082
  341    H    LYS  13           H        LYS  13  -5.116   3.922  -2.092
  342    HA   LYS  13           HA       LYS  13  -2.957   3.366  -3.785
  343   1HB   LYS  13          1HB       LYS  13  -4.940   5.635  -4.139
  344   2HB   LYS  13          2HB       LYS  13  -3.966   4.892  -5.396
  345   1HG   LYS  13          1HG       LYS  13  -6.439   3.914  -4.073
  346   2HG   LYS  13          2HG       LYS  13  -5.973   3.884  -5.773
  347   1HD   LYS  13          1HD       LYS  13  -4.251   2.143  -5.127
  348   2HD   LYS  13          2HD       LYS  13  -5.058   2.073  -3.562
  349   1HE   LYS  13          1HE       LYS  13  -5.925   0.305  -4.922
  350   2HE   LYS  13          2HE       LYS  13  -7.177   1.526  -4.714
  351   1HZ   LYS  13          1HZ       LYS  13  -5.440   1.267  -7.109
  352   2HZ   LYS  13          2HZ       LYS  13  -7.033   0.692  -6.994
  353   3HZ   LYS  13          3HZ       LYS  13  -6.725   2.357  -6.912
  354    H    ALA  14           H        ALA  14  -3.669   6.256  -1.863
  355    HA   ALA  14           HA       ALA  14  -1.600   7.869  -2.921
  356   1HB   ALA  14          1HB       ALA  14  -3.592   8.133  -0.955
  357   2HB   ALA  14          2HB       ALA  14  -2.055   8.459  -0.151
  358   3HB   ALA  14          3HB       ALA  14  -2.516   9.384  -1.581
  359    H    ARG  15           H        ARG  15  -1.698   5.443  -0.407
  360    HA   ARG  15           HA       ARG  15   0.972   5.936   0.559
  361   1HB   ARG  15          1HB       ARG  15  -1.076   3.777   0.981
  362   2HB   ARG  15          2HB       ARG  15   0.571   3.553   1.540
  363   1HG   ARG  15          1HG       ARG  15  -1.175   5.862   2.349
  364   2HG   ARG  15          2HG       ARG  15  -1.022   4.359   3.262
  365   1HD   ARG  15          1HD       ARG  15   1.458   4.775   3.310
  366   2HD   ARG  15          2HD       ARG  15   1.125   6.369   2.648
  367    HE   ARG  15           HE       ARG  15   0.452   7.053   4.718
  368   1HH1  ARG  15          1HH1      ARG  15   0.510   3.541   4.667
  369   2HH1  ARG  15          2HH1      ARG  15   0.138   3.386   6.355
  370   1HH2  ARG  15          1HH2      ARG  15  -0.047   6.823   6.951
  371   2HH2  ARG  15          2HH2      ARG  15  -0.163   5.229   7.638
  372    H    ASN  16           H        ASN  16  -0.629   3.619  -1.508
  373    HA   ASN  16           HA       ASN  16   1.501   1.938  -2.093
  374   1HB   ASN  16          1HB       ASN  16  -1.080   2.653  -3.420
  375   2HB   ASN  16          2HB       ASN  16   0.072   1.669  -4.302
  376   1HD2  ASN  16          1HD2      ASN  16  -1.003  -1.211  -2.764
  377   2HD2  ASN  16          2HD2      ASN  16  -0.378  -0.398  -4.148
  378    H    TYR  17           H        TYR  17   0.342   4.824  -3.779
  379    HA   TYR  17           HA       TYR  17   2.165   4.789  -5.895
  380   1HB   TYR  17          1HB       TYR  17   0.063   6.254  -5.470
  381   2HB   TYR  17          2HB       TYR  17   1.176   7.331  -4.639
  382    HD1  TYR  17           HD1      TYR  17   3.366   7.915  -6.072
  383    HD2  TYR  17           HD2      TYR  17  -0.350   6.638  -7.690
  384    HE1  TYR  17           HE1      TYR  17   3.965   8.929  -8.229
  385    HE2  TYR  17           HE2      TYR  17   0.236   7.648  -9.854
  386    HH   TYR  17           HH       TYR  17   3.010   9.700 -10.235
  387    H    ALA  18           H        ALA  18   2.378   6.351  -2.706
  388    HA   ALA  18           HA       ALA  18   4.917   7.534  -3.144
  389   1HB   ALA  18          1HB       ALA  18   3.339   8.299  -1.416
  390   2HB   ALA  18          2HB       ALA  18   3.611   6.803  -0.525
  391   3HB   ALA  18          3HB       ALA  18   4.935   7.947  -0.753
  392    H    ALA  19           H        ALA  19   3.920   4.550  -1.494
  393    HA   ALA  19           HA       ALA  19   6.480   3.756  -0.670
  394   1HB   ALA  19          1HB       ALA  19   3.932   2.249  -1.129
  395   2HB   ALA  19          2HB       ALA  19   5.404   1.448  -0.580
  396   3HB   ALA  19          3HB       ALA  19   4.677   2.725   0.397
  397    H    LYS  20           H        LYS  20   4.710   3.091  -3.687
  398    HA   LYS  20           HA       LYS  20   6.496   1.181  -4.713
  399   1HB   LYS  20          1HB       LYS  20   4.598   3.092  -6.059
  400   2HB   LYS  20          2HB       LYS  20   5.609   1.988  -6.985
  401   1HG   LYS  20          1HG       LYS  20   4.614   0.088  -5.860
  402   2HG   LYS  20          2HG       LYS  20   3.642   1.165  -4.859
  403   1HD   LYS  20          1HD       LYS  20   2.483   1.979  -6.844
  404   2HD   LYS  20          2HD       LYS  20   3.478   0.936  -7.864
  405   1HE   LYS  20          1HE       LYS  20   2.590  -1.033  -6.714
  406   2HE   LYS  20          2HE       LYS  20   1.603   0.007  -5.692
  407   1HZ   LYS  20          1HZ       LYS  20   1.358   0.013  -8.641
  408   2HZ   LYS  20          2HZ       LYS  20   0.477  -1.059  -7.664
  409   3HZ   LYS  20          3HZ       LYS  20   0.259   0.613  -7.494
  410    H    GLN  21           H        GLN  21   6.568   4.697  -4.801
  411    HA   GLN  21           HA       GLN  21   8.867   4.784  -6.546
  412   1HB   GLN  21          1HB       GLN  21   7.038   6.698  -5.347
  413   2HB   GLN  21          2HB       GLN  21   8.705   7.227  -5.168
  414   1HG   GLN  21          1HG       GLN  21   7.873   8.163  -7.177
  415   2HG   GLN  21          2HG       GLN  21   9.001   6.886  -7.619
  416   1HE2  GLN  21          1HE2      GLN  21   5.230   5.475  -7.994
  417   2HE2  GLN  21          2HE2      GLN  21   5.885   5.942  -6.462
  418    H    LYS  22           H        LYS  22   8.263   4.601  -3.133
  419    HA   LYS  22           HA       LYS  22  10.869   5.360  -2.261
  420   1HB   LYS  22          1HB       LYS  22   8.443   4.205  -1.068
  421   2HB   LYS  22          2HB       LYS  22   9.928   3.609  -0.347
  422   1HG   LYS  22          1HG       LYS  22   9.161   6.508  -0.600
  423   2HG   LYS  22          2HG       LYS  22   8.998   5.523   0.855
  424   1HD   LYS  22          1HD       LYS  22  11.529   5.076   0.545
  425   2HD   LYS  22          2HD       LYS  22  11.486   6.500  -0.498
  426   1HE   LYS  22          1HE       LYS  22  10.785   6.320   2.426
  427   2HE   LYS  22          2HE       LYS  22  12.096   7.234   1.683
  428   1HZ   LYS  22          1HZ       LYS  22  10.234   8.467   0.471
  429   2HZ   LYS  22          2HZ       LYS  22   9.198   7.803   1.641
  430   3HZ   LYS  22          3HZ       LYS  22  10.472   8.815   2.114
  431    H    VAL  23           H        VAL  23   9.248   2.267  -2.844
  432    HA   VAL  23           HA       VAL  23  11.334   0.541  -2.214
  433    HB   VAL  23           HB       VAL  23   9.230   0.230  -4.364
  434   1HG1  VAL  23          1HG1      VAL  23  11.499  -1.405  -3.719
  435   2HG1  VAL  23          2HG1      VAL  23  10.004  -2.283  -3.392
  436   3HG1  VAL  23          3HG1      VAL  23  10.299  -1.607  -4.993
  437   1HG2  VAL  23          1HG2      VAL  23   9.312  -0.537  -1.458
  438   2HG2  VAL  23          2HG2      VAL  23   8.117   0.448  -2.304
  439   3HG2  VAL  23          3HG2      VAL  23   8.201  -1.287  -2.604
  440    H    GLN  24           H        GLN  24  10.534   2.023  -5.357
  441    HA   GLN  24           HA       GLN  24  12.671   0.831  -6.725
  442   1HB   GLN  24          1HB       GLN  24  12.133   2.161  -8.561
  443   2HB   GLN  24          2HB       GLN  24  10.607   1.956  -7.723
  444   1HG   GLN  24          1HG       GLN  24  10.677   4.135  -6.869
  445   2HG   GLN  24          2HG       GLN  24  12.353   4.358  -7.351
  446   1HE2  GLN  24          1HE2      GLN  24  10.483   3.980 -10.809
  447   2HE2  GLN  24          2HE2      GLN  24  10.940   2.672  -9.773
  448    H    ALA  25           H        ALA  25  12.435   3.917  -5.013
  449    HA   ALA  25           HA       ALA  25  14.995   4.888  -5.819
  450   1HB   ALA  25          1HB       ALA  25  13.020   6.141  -4.669
  451   2HB   ALA  25          2HB       ALA  25  13.776   5.594  -3.171
  452   3HB   ALA  25          3HB       ALA  25  14.679   6.609  -4.296
  453    H    LEU  26           H        LEU  26  13.888   3.117  -2.959
  454    HA   LEU  26           HA       LEU  26  16.424   2.967  -1.729
  455   1HB   LEU  26          1HB       LEU  26  14.085   1.072  -1.520
  456   2HB   LEU  26          2HB       LEU  26  15.446   1.132  -0.418
  457    HG   LEU  26           HG       LEU  26  13.445   3.352  -0.835
  458   1HD1  LEU  26          1HD1      LEU  26  12.763   1.148   0.343
  459   2HD1  LEU  26          2HD1      LEU  26  13.755   1.758   1.668
  460   3HD1  LEU  26          3HD1      LEU  26  12.376   2.695   1.092
  461   1HD2  LEU  26          1HD2      LEU  26  16.054   3.469   0.143
  462   2HD2  LEU  26          2HD2      LEU  26  14.791   4.685   0.324
  463   3HD2  LEU  26          3HD2      LEU  26  15.023   3.460   1.571
  464    H    ARG  27           H        ARG  27  14.877   1.146  -4.282
  465    HA   ARG  27           HA       ARG  27  16.596  -1.096  -4.253
  466   1HB   ARG  27          1HB       ARG  27  14.447  -0.158  -5.890
  467   2HB   ARG  27          2HB       ARG  27  15.792  -0.596  -6.932
  468   1HG   ARG  27          1HG       ARG  27  14.473  -2.531  -6.720
  469   2HG   ARG  27          2HG       ARG  27  15.883  -2.789  -5.689
  470   1HD   ARG  27          1HD       ARG  27  14.502  -1.975  -3.762
  471   2HD   ARG  27          2HD       ARG  27  13.106  -1.985  -4.837
  472    HE   ARG  27           HE       ARG  27  14.203  -4.201  -3.487
  473   1HH1  ARG  27          1HH1      ARG  27  12.762  -3.342  -6.576
  474   2HH1  ARG  27          2HH1      ARG  27  12.279  -4.977  -6.934
  475   1HH2  ARG  27          1HH2      ARG  27  13.533  -6.332  -3.951
  476   2HH2  ARG  27          2HH2      ARG  27  12.710  -6.666  -5.446
  477    H    HIS  28           H        HIS  28  16.713   1.992  -6.102
  478    HA   HIS  28           HA       HIS  28  19.126   1.393  -7.434
  479   1HB   HIS  28          1HB       HIS  28  18.611   4.146  -6.627
  480   2HB   HIS  28          2HB       HIS  28  19.168   3.505  -8.128
  481    HD1  HIS  28           HD1      HIS  28  16.908   2.225  -9.467
  482    HD2  HIS  28           HD2      HIS  28  16.486   5.293  -6.718
  483    HE1  HIS  28           HE1      HIS  28  14.681   3.321 -10.008
  484    H    LYS  29           H        LYS  29  18.269   3.428  -4.758
  485    HA   LYS  29           HA       LYS  29  20.566   4.493  -4.002
  486   1HB   LYS  29          1HB       LYS  29  18.459   4.982  -2.913
  487   2HB   LYS  29          2HB       LYS  29  18.453   3.398  -2.151
  488   1HG   LYS  29          1HG       LYS  29  19.131   4.946  -0.510
  489   2HG   LYS  29          2HG       LYS  29  20.573   4.056  -0.988
  490   1HD   LYS  29          1HD       LYS  29  21.201   5.917  -2.470
  491   2HD   LYS  29          2HD       LYS  29  19.783   6.814  -1.926
  492   1HE   LYS  29          1HE       LYS  29  21.609   7.636  -0.663
  493   2HE   LYS  29          2HE       LYS  29  20.687   6.593   0.418
  494   1HZ   LYS  29          1HZ       LYS  29  22.786   5.227  -1.011
  495   2HZ   LYS  29          2HZ       LYS  29  23.352   6.448   0.015
  496   3HZ   LYS  29          3HZ       LYS  29  22.400   5.192   0.642
  497    H    CYS  30           H        CYS  30  19.532   1.233  -3.458
  498    HA   CYS  30           HA       CYS  30  22.206   0.375  -2.773
  499   1HB   CYS  30          1HB       CYS  30  19.960   0.310  -0.779
  500   2HB   CYS  30          2HB       CYS  30  21.235  -0.900  -0.726
  501    H    GLY  31           H        GLY  31  18.950  -0.983  -2.239
  502   1HA   GLY  31          1HA       GLY  31  17.864  -2.616  -3.527
  503   2HA   GLY  31          2HA       GLY  31  19.344  -2.841  -4.448
  504   1HN   NH2  32          1HN       NH2  32  21.186  -3.784  -3.124
  505   2HN   NH2  32          2HN       NH2  32  20.782  -5.098  -2.065
  Start of MODEL   22
    1   1H    ACE   0          1H        ACE   0 -20.030   1.729  -6.269
    2   2H    ACE   0          2H        ACE   0 -18.491   0.865  -6.197
    3   3H    ACE   0          3H        ACE   0 -18.774   2.248  -5.137
    4    H    GLU   1           H        GLU   1 -19.707  -1.079  -5.823
    5    HA   GLU   1           HA       GLU   1 -21.378  -1.372  -3.524
    6   1HB   GLU   1          1HB       GLU   1 -21.658  -2.779  -5.505
    7   2HB   GLU   1          2HB       GLU   1 -20.049  -3.442  -5.284
    8   1HG   GLU   1          1HG       GLU   1 -20.702  -4.562  -3.286
    9   2HG   GLU   1          2HG       GLU   1 -22.265  -3.750  -3.284
   10    H    VAL   2           H        VAL   2 -20.928  -2.552  -1.598
   11    HA   VAL   2           HA       VAL   2 -18.524  -1.982  -0.338
   12    HB   VAL   2           HB       VAL   2 -20.387  -4.261   0.342
   13   1HG1  VAL   2          1HG1      VAL   2 -17.976  -3.270   1.560
   14   2HG1  VAL   2          2HG1      VAL   2 -19.345  -3.118   2.660
   15   3HG1  VAL   2          3HG1      VAL   2 -18.940  -4.691   1.966
   16   1HG2  VAL   2          1HG2      VAL   2 -21.485  -2.009   0.106
   17   2HG2  VAL   2          2HG2      VAL   2 -21.628  -2.751   1.700
   18   3HG2  VAL   2          3HG2      VAL   2 -20.464  -1.454   1.433
   19    H    ALA   3           H        ALA   3 -19.559  -5.035  -1.861
   20    HA   ALA   3           HA       ALA   3 -17.308  -6.575  -1.275
   21   1HB   ALA   3          1HB       ALA   3 -19.644  -6.895  -2.748
   22   2HB   ALA   3          2HB       ALA   3 -18.339  -7.169  -3.902
   23   3HB   ALA   3          3HB       ALA   3 -18.420  -8.122  -2.419
   24    H    GLN   4           H        GLN   4 -17.913  -4.357  -3.956
   25    HA   GLN   4           HA       GLN   4 -15.604  -4.867  -5.480
   26   1HB   GLN   4          1HB       GLN   4 -17.102  -2.271  -5.122
   27   2HB   GLN   4          2HB       GLN   4 -15.993  -2.634  -6.436
   28   1HG   GLN   4          1HG       GLN   4 -18.389  -4.349  -5.983
   29   2HG   GLN   4          2HG       GLN   4 -18.540  -2.805  -6.818
   30   1HE2  GLN   4          1HE2      GLN   4 -17.630  -4.153  -9.834
   31   2HE2  GLN   4          2HE2      GLN   4 -18.511  -2.987  -8.903
   32    H    LEU   5           H        LEU   5 -16.301  -2.439  -3.025
   33    HA   LEU   5           HA       LEU   5 -13.777  -1.220  -2.989
   34   1HB   LEU   5          1HB       LEU   5 -15.929  -1.394  -0.893
   35   2HB   LEU   5          2HB       LEU   5 -14.538  -0.330  -0.791
   36    HG   LEU   5           HG       LEU   5 -16.597  -0.216  -2.995
   37   1HD1  LEU   5          1HD1      LEU   5 -16.783   0.658  -0.293
   38   2HD1  LEU   5          2HD1      LEU   5 -16.665   2.071  -1.338
   39   3HD1  LEU   5          3HD1      LEU   5 -17.935   0.878  -1.611
   40   1HD2  LEU   5          1HD2      LEU   5 -14.080   1.205  -2.403
   41   2HD2  LEU   5          2HD2      LEU   5 -14.869   0.888  -3.949
   42   3HD2  LEU   5          3HD2      LEU   5 -15.437   2.204  -2.924
   43    H    GLU   6           H        GLU   6 -15.129  -3.939  -1.194
   44    HA   GLU   6           HA       GLU   6 -13.053  -4.248   0.676
   45   1HB   GLU   6          1HB       GLU   6 -15.087  -6.122  -0.493
   46   2HB   GLU   6          2HB       GLU   6 -13.839  -6.725   0.591
   47   1HG   GLU   6          1HG       GLU   6 -15.607  -4.429   1.342
   48   2HG   GLU   6          2HG       GLU   6 -16.097  -6.104   1.595
   49    H    LYS   7           H        LYS   7 -13.480  -5.502  -2.610
   50    HA   LYS   7           HA       LYS   7 -11.124  -7.109  -2.596
   51   1HB   LYS   7          1HB       LYS   7 -12.755  -5.942  -4.856
   52   2HB   LYS   7          2HB       LYS   7 -11.406  -7.043  -5.096
   53   1HG   LYS   7          1HG       LYS   7 -12.553  -8.792  -3.919
   54   2HG   LYS   7          2HG       LYS   7 -13.870  -7.696  -3.490
   55   1HD   LYS   7          1HD       LYS   7 -14.449  -7.451  -5.837
   56   2HD   LYS   7          2HD       LYS   7 -13.087  -8.471  -6.295
   57   1HE   LYS   7          1HE       LYS   7 -14.068 -10.365  -5.163
   58   2HE   LYS   7          2HE       LYS   7 -15.394  -9.365  -4.575
   59   1HZ   LYS   7          1HZ       LYS   7 -14.831  -9.811  -7.453
   60   2HZ   LYS   7          2HZ       LYS   7 -15.920 -10.750  -6.554
   61   3HZ   LYS   7          3HZ       LYS   7 -16.210  -9.093  -6.769
   62    H    GLU   8           H        GLU   8 -11.838  -3.785  -3.287
   63    HA   GLU   8           HA       GLU   8  -9.345  -3.159  -4.540
   64   1HB   GLU   8          1HB       GLU   8 -11.552  -1.925  -4.780
   65   2HB   GLU   8          2HB       GLU   8 -11.268  -1.273  -3.172
   66   1HG   GLU   8          1HG       GLU   8 -10.627   0.296  -4.875
   67   2HG   GLU   8          2HG       GLU   8  -9.219  -0.228  -3.952
   68    H    VAL   9           H        VAL   9 -10.719  -2.739  -1.313
   69    HA   VAL   9           HA       VAL   9  -8.523  -1.430  -0.137
   70    HB   VAL   9           HB       VAL   9 -10.677  -3.173   1.097
   71   1HG1  VAL   9          1HG1      VAL   9  -8.548  -3.142   2.443
   72   2HG1  VAL   9          2HG1      VAL   9  -8.760  -1.398   2.604
   73   3HG1  VAL   9          3HG1      VAL   9  -9.967  -2.500   3.269
   74   1HG2  VAL   9          1HG2      VAL   9 -10.467  -0.373   0.348
   75   2HG2  VAL   9          2HG2      VAL   9 -11.889  -1.326   0.764
   76   3HG2  VAL   9          3HG2      VAL   9 -10.916  -0.589   2.041
   77    H    ALA  10           H        ALA  10  -9.392  -4.843  -0.434
   78    HA   ALA  10           HA       ALA  10  -7.182  -5.869   0.998
   79   1HB   ALA  10          1HB       ALA  10  -9.075  -7.061  -0.995
   80   2HB   ALA  10          2HB       ALA  10  -7.721  -7.986  -0.348
   81   3HB   ALA  10          3HB       ALA  10  -8.960  -7.359   0.738
   82    H    GLN  11           H        GLN  11  -7.603  -4.771  -2.266
   83    HA   GLN  11           HA       GLN  11  -5.344  -6.001  -3.450
   84   1HB   GLN  11          1HB       GLN  11  -7.264  -4.888  -4.685
   85   2HB   GLN  11          2HB       GLN  11  -6.588  -3.345  -4.195
   86   1HG   GLN  11          1HG       GLN  11  -5.951  -3.924  -6.473
   87   2HG   GLN  11          2HG       GLN  11  -4.551  -3.787  -5.409
   88   1HE2  GLN  11          1HE2      GLN  11  -3.394  -6.929  -6.212
   89   2HE2  GLN  11          2HE2      GLN  11  -3.101  -5.323  -5.642
   90    H    ALA  12           H        ALA  12  -5.942  -2.794  -2.136
   91    HA   ALA  12           HA       ALA  12  -3.292  -1.864  -2.365
   92   1HB   ALA  12          1HB       ALA  12  -5.615  -0.929  -0.718
   93   2HB   ALA  12          2HB       ALA  12  -4.058  -0.101  -0.750
   94   3HB   ALA  12          3HB       ALA  12  -5.007  -0.250  -2.229
   95    H    GLU  13           H        GLU  13  -5.091  -3.295   0.327
   96    HA   GLU  13           HA       GLU  13  -3.177  -2.980   2.324
   97   1HB   GLU  13          1HB       GLU  13  -5.411  -4.917   1.865
   98   2HB   GLU  13          2HB       GLU  13  -4.331  -5.145   3.231
   99   1HG   GLU  13          1HG       GLU  13  -5.623  -2.496   2.793
  100   2HG   GLU  13          2HG       GLU  13  -6.543  -3.817   3.510
  101    H    ALA  14           H        ALA  14  -3.512  -5.530  -0.106
  102    HA   ALA  14           HA       ALA  14  -1.554  -7.262   0.951
  103   1HB   ALA  14          1HB       ALA  14  -2.777  -6.902  -1.753
  104   2HB   ALA  14          2HB       ALA  14  -1.396  -7.982  -1.548
  105   3HB   ALA  14          3HB       ALA  14  -2.884  -8.272  -0.646
  106    H    GLU  15           H        GLU  15  -1.351  -4.757  -1.570
  107    HA   GLU  15           HA       GLU  15   1.421  -4.998  -2.030
  108   1HB   GLU  15          1HB       GLU  15  -0.319  -2.543  -2.309
  109   2HB   GLU  15          2HB       GLU  15   1.286  -2.738  -2.991
  110   1HG   GLU  15          1HG       GLU  15   0.517  -4.416  -4.493
  111   2HG   GLU  15          2HG       GLU  15  -1.057  -4.462  -3.703
  112    H    ASN  16           H        ASN  16  -0.461  -2.745  -0.065
  113    HA   ASN  16           HA       ASN  16   1.514  -1.202   1.039
  114   1HB   ASN  16          1HB       ASN  16  -1.036  -1.067   1.308
  115   2HB   ASN  16          2HB       ASN  16  -0.843  -2.197   2.637
  116   1HD2  ASN  16          1HD2      ASN  16  -0.400   1.668   3.269
  117   2HD2  ASN  16          2HD2      ASN  16  -1.144   0.959   1.874
  118    H    TYR  17           H        TYR  17   0.295  -4.303   2.247
  119    HA   TYR  17           HA       TYR  17   1.807  -4.517   4.573
  120   1HB   TYR  17          1HB       TYR  17  -0.053  -6.031   3.937
  121   2HB   TYR  17          2HB       TYR  17   0.971  -6.735   2.693
  122    HD1  TYR  17           HD1      TYR  17   1.152  -6.035   6.368
  123    HD2  TYR  17           HD2      TYR  17   1.964  -8.754   3.197
  124    HE1  TYR  17           HE1      TYR  17   2.007  -7.669   7.991
  125    HE2  TYR  17           HE2      TYR  17   2.816 -10.395   4.814
  126    HH   TYR  17           HH       TYR  17   3.504 -10.690   6.947
  127    H    GLN  18           H        GLN  18   2.616  -5.376   1.245
  128    HA   GLN  18           HA       GLN  18   5.191  -6.427   2.014
  129   1HB   GLN  18          1HB       GLN  18   3.924  -5.970  -0.685
  130   2HB   GLN  18          2HB       GLN  18   5.510  -6.696  -0.453
  131   1HG   GLN  18          1HG       GLN  18   4.380  -8.435   0.971
  132   2HG   GLN  18          2HG       GLN  18   2.843  -7.772   0.410
  133   1HE2  GLN  18          1HE2      GLN  18   4.717 -10.473  -1.769
  134   2HE2  GLN  18          2HE2      GLN  18   5.037 -10.130  -0.101
  135    H    LEU  19           H        LEU  19   3.924  -3.396   0.817
  136    HA   LEU  19           HA       LEU  19   6.382  -2.307  -0.103
  137   1HB   LEU  19          1HB       LEU  19   4.057  -0.766   1.051
  138   2HB   LEU  19          2HB       LEU  19   5.304  -0.148  -0.010
  139    HG   LEU  19           HG       LEU  19   3.075  -2.039  -0.723
  140   1HD1  LEU  19          1HD1      LEU  19   2.991   0.623  -0.571
  141   2HD1  LEU  19          2HD1      LEU  19   3.603   0.443  -2.216
  142   3HD1  LEU  19          3HD1      LEU  19   2.075  -0.312  -1.752
  143   1HD2  LEU  19          1HD2      LEU  19   5.579  -1.371  -2.193
  144   2HD2  LEU  19          2HD2      LEU  19   4.733  -2.916  -2.052
  145   3HD2  LEU  19          3HD2      LEU  19   4.082  -1.644  -3.087
  146    H    GLU  20           H        GLU  20   4.600  -1.904   2.942
  147    HA   GLU  20           HA       GLU  20   6.531  -0.342   4.255
  148   1HB   GLU  20          1HB       GLU  20   4.493  -2.254   5.420
  149   2HB   GLU  20          2HB       GLU  20   5.339  -0.999   6.315
  150   1HG   GLU  20          1HG       GLU  20   3.624  -0.383   3.933
  151   2HG   GLU  20          2HG       GLU  20   2.966  -0.503   5.562
  152    H    GLN  21           H        GLN  21   6.089  -3.807   3.961
  153    HA   GLN  21           HA       GLN  21   8.033  -4.606   5.852
  154   1HB   GLN  21          1HB       GLN  21   6.216  -6.041   4.854
  155   2HB   GLN  21          2HB       GLN  21   7.158  -6.097   3.372
  156   1HG   GLN  21          1HG       GLN  21   8.985  -7.177   4.576
  157   2HG   GLN  21          2HG       GLN  21   8.034  -7.120   6.062
  158   1HE2  GLN  21          1HE2      GLN  21   6.504 -10.130   5.423
  159   2HE2  GLN  21          2HE2      GLN  21   7.025  -8.914   6.544
  160    H    GLU  22           H        GLU  22   8.121  -4.046   2.367
  161    HA   GLU  22           HA       GLU  22  10.819  -4.768   1.949
  162   1HB   GLU  22          1HB       GLU  22   8.890  -4.456   0.255
  163   2HB   GLU  22          2HB       GLU  22   9.322  -2.754   0.292
  164   1HG   GLU  22          1HG       GLU  22  10.363  -3.824  -1.581
  165   2HG   GLU  22          2HG       GLU  22  11.596  -3.334  -0.421
  166    H    VAL  23           H        VAL  23   9.206  -1.651   2.547
  167    HA   VAL  23           HA       VAL  23  11.450   0.003   2.290
  168    HB   VAL  23           HB       VAL  23   8.954   0.325   3.962
  169   1HG1  VAL  23          1HG1      VAL  23  11.424   1.871   4.035
  170   2HG1  VAL  23          2HG1      VAL  23  10.006   2.850   3.654
  171   3HG1  VAL  23          3HG1      VAL  23  10.044   1.889   5.134
  172   1HG2  VAL  23          1HG2      VAL  23   9.876   1.268   1.276
  173   2HG2  VAL  23          2HG2      VAL  23   8.334   0.548   1.742
  174   3HG2  VAL  23          3HG2      VAL  23   8.700   2.215   2.187
  175    H    ALA  24           H        ALA  24  10.155  -1.678   5.149
  176    HA   ALA  24           HA       ALA  24  12.000  -0.711   7.018
  177   1HB   ALA  24          1HB       ALA  24   9.893  -2.183   7.359
  178   2HB   ALA  24          2HB       ALA  24  11.007  -3.531   7.135
  179   3HB   ALA  24          3HB       ALA  24  11.266  -2.386   8.448
  180    H    GLN  25           H        GLN  25  12.090  -3.591   4.974
  181    HA   GLN  25           HA       GLN  25  14.538  -4.659   5.813
  182   1HB   GLN  25          1HB       GLN  25  12.815  -5.765   4.348
  183   2HB   GLN  25          2HB       GLN  25  13.382  -4.764   3.021
  184   1HG   GLN  25          1HG       GLN  25  15.620  -5.786   3.258
  185   2HG   GLN  25          2HG       GLN  25  14.964  -6.852   4.504
  186   1HE2  GLN  25          1HE2      GLN  25  14.817  -8.104   0.826
  187   2HE2  GLN  25          2HE2      GLN  25  15.975  -7.035   1.549
  188    H    LEU  26           H        LEU  26  13.841  -2.490   3.091
  189    HA   LEU  26           HA       LEU  26  16.516  -2.217   2.268
  190   1HB   LEU  26          1HB       LEU  26  14.156  -0.395   1.837
  191   2HB   LEU  26          2HB       LEU  26  15.679  -0.302   0.965
  192    HG   LEU  26           HG       LEU  26  13.882  -2.730   0.950
  193   1HD1  LEU  26          1HD1      LEU  26  13.087  -0.475  -0.171
  194   2HD1  LEU  26          2HD1      LEU  26  14.205  -0.987  -1.435
  195   3HD1  LEU  26          3HD1      LEU  26  12.867  -2.032  -0.966
  196   1HD2  LEU  26          1HD2      LEU  26  16.568  -2.359   0.220
  197   2HD2  LEU  26          2HD2      LEU  26  15.541  -3.758  -0.094
  198   3HD2  LEU  26          3HD2      LEU  26  15.648  -2.459  -1.283
  199    H    GLU  27           H        GLU  27  14.523  -0.119   4.373
  200    HA   GLU  27           HA       GLU  27  16.457   1.900   4.758
  201   1HB   GLU  27          1HB       GLU  27  14.202   0.904   6.499
  202   2HB   GLU  27          2HB       GLU  27  15.227   2.243   6.981
  203   1HG   GLU  27          1HG       GLU  27  13.690   2.230   4.403
  204   2HG   GLU  27          2HG       GLU  27  13.013   2.817   5.920
  205    H    HIS  28           H        HIS  28  15.879  -1.156   6.377
  206    HA   HIS  28           HA       HIS  28  17.787  -0.818   8.453
  207   1HB   HIS  28          1HB       HIS  28  15.927  -2.402   8.602
  208   2HB   HIS  28          2HB       HIS  28  16.568  -3.315   7.245
  209    HD1  HIS  28           HD1      HIS  28  18.265  -2.176  10.498
  210    HD2  HIS  28           HD2      HIS  28  17.443  -5.584   8.262
  211    HE1  HIS  28           HE1      HIS  28  19.345  -4.110  11.727
  212    H    GLU  29           H        GLU  29  17.886  -2.166   5.202
  213    HA   GLU  29           HA       GLU  29  20.516  -3.230   5.366
  214   1HB   GLU  29          1HB       GLU  29  18.800  -2.417   3.014
  215   2HB   GLU  29          2HB       GLU  29  20.388  -3.152   2.835
  216   1HG   GLU  29          1HG       GLU  29  18.042  -4.419   4.246
  217   2HG   GLU  29          2HG       GLU  29  18.546  -4.755   2.585
  218    H    CYS  30           H        CYS  30  19.132  -0.171   4.419
  219    HA   CYS  30           HA       CYS  30  21.509   1.025   3.430
  220   1HB   CYS  30          1HB       CYS  30  18.838   2.067   4.320
  221   2HB   CYS  30          2HB       CYS  30  20.141   3.187   3.956
  222    H    GLY  31           H        GLY  31  20.090   0.688   6.595
  223   1HA   GLY  31          1HA       GLY  31  21.733   2.649   7.873
  224   2HA   GLY  31          2HA       GLY  31  20.764   1.421   8.672
  225   1HN   NH2  32          1HN       NH2  32  22.075  -0.725   7.123
  226   2HN   NH2  32          2HN       NH2  32  23.632  -0.939   7.853
  227   1H    ACE   0          1H        ACE   0 -17.781  -2.479   7.260
  228   2H    ACE   0          2H        ACE   0 -17.378  -0.797   7.617
  229   3H    ACE   0          3H        ACE   0 -16.458  -1.687   6.400
  230    H    GLU   1           H        GLU   1 -18.556   0.711   6.637
  231    HA   GLU   1           HA       GLU   1 -20.483  -0.059   4.644
  232   1HB   GLU   1          1HB       GLU   1 -21.023   2.469   4.735
  233   2HB   GLU   1          2HB       GLU   1 -21.416   1.467   6.123
  234   1HG   GLU   1          1HG       GLU   1 -18.807   2.909   6.010
  235   2HG   GLU   1          2HG       GLU   1 -20.279   3.774   6.444
  236    H    VAL   2           H        VAL   2 -20.852   1.388   2.757
  237    HA   VAL   2           HA       VAL   2 -18.821   1.174   0.900
  238    HB   VAL   2           HB       VAL   2 -21.186   3.054   0.962
  239   1HG1  VAL   2          1HG1      VAL   2 -19.040   3.538  -0.588
  240   2HG1  VAL   2          2HG1      VAL   2 -19.935   2.434  -1.634
  241   3HG1  VAL   2          3HG1      VAL   2 -20.696   3.919  -1.060
  242   1HG2  VAL   2          1HG2      VAL   2 -20.762   0.269   0.190
  243   2HG2  VAL   2          2HG2      VAL   2 -22.252   1.126   0.594
  244   3HG2  VAL   2          3HG2      VAL   2 -21.588   1.230  -1.038
  245    H    GLN   3           H        GLN   3 -19.893   4.160   2.516
  246    HA   GLN   3           HA       GLN   3 -17.854   5.795   1.494
  247   1HB   GLN   3          1HB       GLN   3 -20.025   6.490   2.612
  248   2HB   GLN   3          2HB       GLN   3 -19.232   6.176   4.149
  249   1HG   GLN   3          1HG       GLN   3 -19.159   8.529   3.612
  250   2HG   GLN   3          2HG       GLN   3 -17.537   7.841   3.622
  251   1HE2  GLN   3          1HE2      GLN   3 -18.962   9.686   0.385
  252   2HE2  GLN   3          2HE2      GLN   3 -19.784   9.630   1.906
  253    H    ALA   4           H        ALA   4 -17.923   3.589   4.183
  254    HA   ALA   4           HA       ALA   4 -15.633   4.593   5.536
  255   1HB   ALA   4          1HB       ALA   4 -17.358   3.067   6.524
  256   2HB   ALA   4          2HB       ALA   4 -16.650   1.761   5.577
  257   3HB   ALA   4          3HB       ALA   4 -15.689   2.577   6.808
  258    H    LEU   5           H        LEU   5 -16.149   2.021   3.172
  259    HA   LEU   5           HA       LEU   5 -13.411   1.251   3.062
  260   1HB   LEU   5          1HB       LEU   5 -15.702   0.710   1.185
  261   2HB   LEU   5          2HB       LEU   5 -14.121  -0.038   1.061
  262    HG   LEU   5           HG       LEU   5 -16.044  -0.347   3.370
  263   1HD1  LEU   5          1HD1      LEU   5 -15.215  -2.206   1.160
  264   2HD1  LEU   5          2HD1      LEU   5 -16.098  -2.705   2.602
  265   3HD1  LEU   5          3HD1      LEU   5 -16.826  -1.563   1.473
  266   1HD2  LEU   5          1HD2      LEU   5 -13.197  -0.976   3.045
  267   2HD2  LEU   5          2HD2      LEU   5 -14.153  -0.757   4.510
  268   3HD2  LEU   5          3HD2      LEU   5 -14.190  -2.300   3.657
  269    H    LYS   6           H        LYS   6 -15.390   3.509   1.194
  270    HA   LYS   6           HA       LYS   6 -13.639   3.886  -0.964
  271   1HB   LYS   6          1HB       LYS   6 -15.520   5.848   0.361
  272   2HB   LYS   6          2HB       LYS   6 -14.695   6.152  -1.160
  273   1HG   LYS   6          1HG       LYS   6 -15.850   4.318  -2.209
  274   2HG   LYS   6          2HG       LYS   6 -16.595   3.869  -0.676
  275   1HD   LYS   6          1HD       LYS   6 -18.193   5.084  -2.005
  276   2HD   LYS   6          2HD       LYS   6 -17.719   6.077  -0.626
  277   1HE   LYS   6          1HE       LYS   6 -16.135   7.284  -2.075
  278   2HE   LYS   6          2HE       LYS   6 -16.679   6.320  -3.447
  279   1HZ   LYS   6          1HZ       LYS   6 -18.943   7.216  -3.032
  280   2HZ   LYS   6          2HZ       LYS   6 -18.280   8.262  -1.875
  281   3HZ   LYS   6          3HZ       LYS   6 -17.813   8.392  -3.497
  282    H    LYS   7           H        LYS   7 -13.795   5.526   2.185
  283    HA   LYS   7           HA       LYS   7 -11.574   7.222   1.665
  284   1HB   LYS   7          1HB       LYS   7 -13.143   6.490   4.092
  285   2HB   LYS   7          2HB       LYS   7 -11.562   7.229   4.317
  286   1HG   LYS   7          1HG       LYS   7 -13.224   8.943   4.368
  287   2HG   LYS   7          2HG       LYS   7 -12.294   9.113   2.879
  288   1HD   LYS   7          1HD       LYS   7 -14.150   7.764   1.762
  289   2HD   LYS   7          2HD       LYS   7 -15.083   8.039   3.234
  290   1HE   LYS   7          1HE       LYS   7 -13.975  10.130   1.370
  291   2HE   LYS   7          2HE       LYS   7 -15.669   9.701   1.592
  292   1HZ   LYS   7          1HZ       LYS   7 -14.784  10.336   4.103
  293   2HZ   LYS   7          2HZ       LYS   7 -14.040  11.487   3.104
  294   3HZ   LYS   7          3HZ       LYS   7 -15.728  11.316   3.090
  295    H    ARG   8           H        ARG   8 -11.947   3.985   2.895
  296    HA   ARG   8           HA       ARG   8  -9.330   3.645   3.936
  297   1HB   ARG   8          1HB       ARG   8 -11.196   2.104   4.442
  298   2HB   ARG   8          2HB       ARG   8 -11.220   1.593   2.760
  299   1HG   ARG   8          1HG       ARG   8 -10.091  -0.068   4.059
  300   2HG   ARG   8          2HG       ARG   8  -8.909   0.743   3.033
  301   1HD   ARG   8          1HD       ARG   8  -8.244   2.151   4.927
  302   2HD   ARG   8          2HD       ARG   8  -9.419   1.314   5.937
  303    HE   ARG   8           HE       ARG   8  -7.873  -0.706   5.035
  304   1HH1  ARG   8          1HH1      ARG   8  -7.140   2.368   6.547
  305   2HH1  ARG   8          2HH1      ARG   8  -5.739   1.771   7.390
  306   1HH2  ARG   8          1HH2      ARG   8  -5.995  -1.492   6.111
  307   2HH2  ARG   8          2HH2      ARG   8  -5.077  -0.409   7.118
  308    H    VAL   9           H        VAL   9 -10.823   3.121   0.794
  309    HA   VAL   9           HA       VAL   9  -8.649   1.981  -0.549
  310    HB   VAL   9           HB       VAL   9 -10.953   3.647  -1.566
  311   1HG1  VAL   9          1HG1      VAL   9  -9.106   3.815  -3.150
  312   2HG1  VAL   9          2HG1      VAL   9  -8.955   2.058  -3.174
  313   3HG1  VAL   9          3HG1      VAL   9 -10.411   2.828  -3.808
  314   1HG2  VAL   9          1HG2      VAL   9 -10.421   0.696  -1.395
  315   2HG2  VAL   9          2HG2      VAL   9 -11.752   1.611  -0.687
  316   3HG2  VAL   9          3HG2      VAL   9 -11.674   1.375  -2.434
  317    H    GLN  10           H        GLN  10  -9.722   5.377  -0.386
  318    HA   GLN  10           HA       GLN  10  -7.604   6.408  -1.922
  319   1HB   GLN  10          1HB       GLN  10  -9.220   7.822   0.204
  320   2HB   GLN  10          2HB       GLN  10  -8.254   8.595  -1.047
  321   1HG   GLN  10          1HG       GLN  10 -10.753   6.968  -1.393
  322   2HG   GLN  10          2HG       GLN  10 -10.520   8.681  -1.733
  323   1HE2  GLN  10          1HE2      GLN  10 -10.028   6.068  -4.630
  324   2HE2  GLN  10          2HE2      GLN  10 -10.939   5.847  -3.175
  325    H    ALA  11           H        ALA  11  -7.920   5.877   1.566
  326    HA   ALA  11           HA       ALA  11  -5.558   7.242   2.326
  327   1HB   ALA  11          1HB       ALA  11  -7.606   6.123   3.693
  328   2HB   ALA  11          2HB       ALA  11  -6.344   4.918   3.955
  329   3HB   ALA  11          3HB       ALA  11  -6.073   6.597   4.426
  330    H    LEU  12           H        LEU  12  -6.224   3.841   1.591
  331    HA   LEU  12           HA       LEU  12  -3.623   2.879   2.072
  332   1HB   LEU  12          1HB       LEU  12  -5.902   1.887   0.391
  333   2HB   LEU  12          2HB       LEU  12  -4.375   1.037   0.449
  334    HG   LEU  12           HG       LEU  12  -5.968   1.637   2.934
  335   1HD1  LEU  12          1HD1      LEU  12  -6.584  -0.212   0.814
  336   2HD1  LEU  12          2HD1      LEU  12  -6.179  -1.086   2.291
  337   3HD1  LEU  12          3HD1      LEU  12  -7.472   0.116   2.304
  338   1HD2  LEU  12          1HD2      LEU  12  -3.514   1.057   3.031
  339   2HD2  LEU  12          2HD2      LEU  12  -4.584  -0.020   3.928
  340   3HD2  LEU  12          3HD2      LEU  12  -3.942  -0.517   2.363
  341    H    LYS  13           H        LYS  13  -5.235   3.759  -0.991
  342    HA   LYS  13           HA       LYS  13  -3.054   3.304  -2.671
  343   1HB   LYS  13          1HB       LYS  13  -5.493   5.021  -2.846
  344   2HB   LYS  13          2HB       LYS  13  -4.227   5.240  -4.042
  345   1HG   LYS  13          1HG       LYS  13  -6.080   3.702  -4.716
  346   2HG   LYS  13          2HG       LYS  13  -4.462   3.014  -4.830
  347   1HD   LYS  13          1HD       LYS  13  -4.781   1.658  -2.955
  348   2HD   LYS  13          2HD       LYS  13  -6.148   2.613  -2.386
  349   1HE   LYS  13          1HE       LYS  13  -6.854   0.452  -3.302
  350   2HE   LYS  13          2HE       LYS  13  -7.520   1.807  -4.209
  351   1HZ   LYS  13          1HZ       LYS  13  -5.110   0.276  -5.038
  352   2HZ   LYS  13          2HZ       LYS  13  -6.684  -0.039  -5.599
  353   3HZ   LYS  13          3HZ       LYS  13  -5.947   1.447  -5.939
  354    H    ALA  14           H        ALA  14  -3.845   6.147  -0.727
  355    HA   ALA  14           HA       ALA  14  -1.869   7.857  -1.842
  356   1HB   ALA  14          1HB       ALA  14  -3.798   8.633  -0.479
  357   2HB   ALA  14          2HB       ALA  14  -3.017   7.948   0.945
  358   3HB   ALA  14          3HB       ALA  14  -2.247   9.271   0.071
  359    H    ARG  15           H        ARG  15  -1.906   5.621   0.889
  360    HA   ARG  15           HA       ARG  15   0.760   6.205   1.749
  361   1HB   ARG  15          1HB       ARG  15  -0.879   5.254   3.300
  362   2HB   ARG  15          2HB       ARG  15  -1.037   3.822   2.294
  363   1HG   ARG  15          1HG       ARG  15   0.333   3.331   4.212
  364   2HG   ARG  15          2HG       ARG  15   1.313   3.265   2.746
  365   1HD   ARG  15          1HD       ARG  15   2.040   5.606   3.224
  366   2HD   ARG  15          2HD       ARG  15   1.200   5.490   4.770
  367    HE   ARG  15           HE       ARG  15   2.915   3.310   4.623
  368   1HH1  ARG  15          1HH1      ARG  15   3.117   6.800   4.737
  369   2HH1  ARG  15          2HH1      ARG  15   4.707   6.811   5.441
  370   1HH2  ARG  15          1HH2      ARG  15   4.997   3.302   5.531
  371   2HH2  ARG  15          2HH2      ARG  15   5.785   4.813   5.898
  372    H    ASN  16           H        ASN  16  -0.759   3.743  -0.236
  373    HA   ASN  16           HA       ASN  16   1.452   2.114  -0.732
  374   1HB   ASN  16          1HB       ASN  16  -1.146   2.670  -2.110
  375   2HB   ASN  16          2HB       ASN  16   0.048   1.693  -2.937
  376   1HD2  ASN  16          1HD2      ASN  16  -1.055  -1.153  -1.326
  377   2HD2  ASN  16          2HD2      ASN  16  -0.434  -0.385  -2.744
  378    H    TYR  17           H        TYR  17   0.154   4.881  -2.520
  379    HA   TYR  17           HA       TYR  17   1.909   4.934  -4.679
  380   1HB   TYR  17          1HB       TYR  17  -0.189   6.316  -4.259
  381   2HB   TYR  17          2HB       TYR  17   0.804   7.368  -3.267
  382    HD1  TYR  17           HD1      TYR  17   3.016   8.229  -4.532
  383    HD2  TYR  17           HD2      TYR  17  -0.562   6.944  -6.439
  384    HE1  TYR  17           HE1      TYR  17   3.605   9.552  -6.514
  385    HE2  TYR  17           HE2      TYR  17   0.022   8.264  -8.432
  386    HH   TYR  17           HH       TYR  17   2.073   9.183  -9.499
  387    H    ALA  18           H        ALA  18   2.198   6.457  -1.489
  388    HA   ALA  18           HA       ALA  18   4.708   7.692  -2.003
  389   1HB   ALA  18          1HB       ALA  18   3.181   8.472  -0.254
  390   2HB   ALA  18          2HB       ALA  18   3.451   6.979   0.645
  391   3HB   ALA  18          3HB       ALA  18   4.781   8.109   0.394
  392    H    ALA  19           H        ALA  19   3.808   4.699  -0.300
  393    HA   ALA  19           HA       ALA  19   6.404   3.964   0.485
  394   1HB   ALA  19          1HB       ALA  19   4.000   2.218  -0.026
  395   2HB   ALA  19          2HB       ALA  19   5.463   1.719   0.821
  396   3HB   ALA  19          3HB       ALA  19   4.437   2.981   1.502
  397    H    LYS  20           H        LYS  20   4.620   3.329  -2.511
  398    HA   LYS  20           HA       LYS  20   6.331   1.377  -3.573
  399   1HB   LYS  20          1HB       LYS  20   4.548   3.424  -4.884
  400   2HB   LYS  20          2HB       LYS  20   5.490   2.276  -5.824
  401   1HG   LYS  20          1HG       LYS  20   4.352   0.425  -4.794
  402   2HG   LYS  20          2HG       LYS  20   3.480   1.518  -3.716
  403   1HD   LYS  20          1HD       LYS  20   2.359   2.527  -5.624
  404   2HD   LYS  20          2HD       LYS  20   3.265   1.487  -6.726
  405   1HE   LYS  20          1HE       LYS  20   2.233  -0.490  -5.718
  406   2HE   LYS  20          2HE       LYS  20   1.342   0.540  -4.601
  407   1HZ   LYS  20          1HZ       LYS  20   0.916   1.333  -7.301
  408   2HZ   LYS  20          2HZ       LYS  20   0.512  -0.297  -7.079
  409   3HZ   LYS  20          3HZ       LYS  20  -0.218   0.898  -6.120
  410    H    GLN  21           H        GLN  21   6.503   4.892  -3.616
  411    HA   GLN  21           HA       GLN  21   8.773   5.044  -5.350
  412   1HB   GLN  21          1HB       GLN  21   7.796   7.052  -3.304
  413   2HB   GLN  21          2HB       GLN  21   8.940   7.372  -4.601
  414   1HG   GLN  21          1HG       GLN  21   7.263   7.073  -6.257
  415   2HG   GLN  21          2HG       GLN  21   6.113   6.469  -5.062
  416   1HE2  GLN  21          1HE2      GLN  21   4.891   9.583  -4.286
  417   2HE2  GLN  21          2HE2      GLN  21   4.733   7.856  -4.278
  418    H    LYS  22           H        LYS  22   8.276   4.777  -1.902
  419    HA   LYS  22           HA       LYS  22  10.921   5.280  -1.062
  420   1HB   LYS  22          1HB       LYS  22   8.621   3.739   0.126
  421   2HB   LYS  22          2HB       LYS  22  10.189   3.767   0.916
  422   1HG   LYS  22          1HG       LYS  22   8.667   6.260   0.215
  423   2HG   LYS  22          2HG       LYS  22   8.492   5.420   1.755
  424   1HD   LYS  22          1HD       LYS  22  11.134   6.386   0.685
  425   2HD   LYS  22          2HD       LYS  22  10.113   7.343   1.758
  426   1HE   LYS  22          1HE       LYS  22  10.241   5.535   3.432
  427   2HE   LYS  22          2HE       LYS  22  11.326   4.650   2.361
  428   1HZ   LYS  22          1HZ       LYS  22  12.758   6.743   2.458
  429   2HZ   LYS  22          2HZ       LYS  22  11.823   7.186   3.796
  430   3HZ   LYS  22          3HZ       LYS  22  12.730   5.751   3.834
  431    H    VAL  23           H        VAL  23   9.186   2.261  -1.720
  432    HA   VAL  23           HA       VAL  23  11.250   0.463  -1.261
  433    HB   VAL  23           HB       VAL  23   9.052   0.280  -3.339
  434   1HG1  VAL  23          1HG1      VAL  23  11.259  -1.423  -2.928
  435   2HG1  VAL  23          2HG1      VAL  23   9.840  -2.256  -2.293
  436   3HG1  VAL  23          3HG1      VAL  23   9.855  -1.687  -3.961
  437   1HG2  VAL  23          1HG2      VAL  23   8.682   0.502  -0.685
  438   2HG2  VAL  23          2HG2      VAL  23   7.621  -0.426  -1.746
  439   3HG2  VAL  23          3HG2      VAL  23   8.876  -1.246  -0.825
  440    H    GLN  24           H        GLN  24  10.365   2.055  -4.327
  441    HA   GLN  24           HA       GLN  24  12.447   0.886  -5.834
  442   1HB   GLN  24          1HB       GLN  24  10.875   3.420  -6.324
  443   2HB   GLN  24          2HB       GLN  24  11.907   2.630  -7.511
  444   1HG   GLN  24          1HG       GLN  24  10.506   0.667  -7.473
  445   2HG   GLN  24          2HG       GLN  24   9.502   1.374  -6.213
  446   1HE2  GLN  24          1HE2      GLN  24   7.352   2.755  -8.522
  447   2HE2  GLN  24          2HE2      GLN  24   7.635   2.033  -6.975
  448    H    ALA  25           H        ALA  25  12.288   3.877  -3.968
  449    HA   ALA  25           HA       ALA  25  14.772   4.886  -4.959
  450   1HB   ALA  25          1HB       ALA  25  12.801   6.101  -3.711
  451   2HB   ALA  25          2HB       ALA  25  13.743   5.681  -2.280
  452   3HB   ALA  25          3HB       ALA  25  14.464   6.667  -3.553
  453    H    LEU  26           H        LEU  26  13.788   3.110  -2.066
  454    HA   LEU  26           HA       LEU  26  16.341   3.068  -0.845
  455   1HB   LEU  26          1HB       LEU  26  14.042   1.134  -0.532
  456   2HB   LEU  26          2HB       LEU  26  15.416   1.267   0.547
  457    HG   LEU  26           HG       LEU  26  13.354   3.419   0.087
  458   1HD1  LEU  26          1HD1      LEU  26  13.156   1.084   1.591
  459   2HD1  LEU  26          2HD1      LEU  26  13.507   2.364   2.752
  460   3HD1  LEU  26          3HD1      LEU  26  12.117   2.505   1.678
  461   1HD2  LEU  26          1HD2      LEU  26  15.928   3.332   1.502
  462   2HD2  LEU  26          2HD2      LEU  26  15.049   4.699   0.819
  463   3HD2  LEU  26          3HD2      LEU  26  14.584   4.047   2.392
  464    H    ARG  27           H        ARG  27  14.662   0.785  -3.002
  465    HA   ARG  27           HA       ARG  27  16.669  -1.201  -2.909
  466   1HB   ARG  27          1HB       ARG  27  14.296  -0.636  -4.576
  467   2HB   ARG  27          2HB       ARG  27  15.532  -1.651  -5.307
  468   1HG   ARG  27          1HG       ARG  27  15.347  -3.273  -3.605
  469   2HG   ARG  27          2HG       ARG  27  14.388  -2.198  -2.589
  470   1HD   ARG  27          1HD       ARG  27  12.493  -2.445  -3.897
  471   2HD   ARG  27          2HD       ARG  27  13.415  -2.989  -5.292
  472    HE   ARG  27           HE       ARG  27  13.707  -4.813  -3.146
  473   1HH1  ARG  27          1HH1      ARG  27  11.367  -3.796  -5.552
  474   2HH1  ARG  27          2HH1      ARG  27  10.552  -5.337  -5.583
  475   1HH2  ARG  27          1HH2      ARG  27  12.645  -6.821  -3.193
  476   2HH2  ARG  27          2HH2      ARG  27  11.275  -7.054  -4.230
  477    H    HIS  28           H        HIS  28  16.442   1.793  -4.522
  478    HA   HIS  28           HA       HIS  28  18.355   1.175  -6.583
  479   1HB   HIS  28          1HB       HIS  28  16.563   2.968  -6.724
  480   2HB   HIS  28          2HB       HIS  28  17.537   3.900  -5.588
  481    HD1  HIS  28           HD1      HIS  28  18.057   2.224  -8.991
  482    HD2  HIS  28           HD2      HIS  28  19.245   5.565  -6.817
  483    HE1  HIS  28           HE1      HIS  28  19.572   3.565 -10.513
  484    H    LYS  29           H        LYS  29  18.369   2.534  -3.371
  485    HA   LYS  29           HA       LYS  29  21.159   3.315  -3.528
  486   1HB   LYS  29          1HB       LYS  29  19.510   4.710  -2.313
  487   2HB   LYS  29          2HB       LYS  29  19.243   3.385  -1.192
  488   1HG   LYS  29          1HG       LYS  29  21.634   3.503  -0.553
  489   2HG   LYS  29          2HG       LYS  29  21.794   4.931  -1.578
  490   1HD   LYS  29          1HD       LYS  29  20.211   6.137  -0.230
  491   2HD   LYS  29          2HD       LYS  29  19.852   4.689   0.716
  492   1HE   LYS  29          1HE       LYS  29  21.335   6.157   1.951
  493   2HE   LYS  29          2HE       LYS  29  22.170   4.664   1.523
  494   1HZ   LYS  29          1HZ       LYS  29  22.398   7.066  -0.175
  495   2HZ   LYS  29          2HZ       LYS  29  23.378   6.877   1.195
  496   3HZ   LYS  29          3HZ       LYS  29  23.454   5.742  -0.064
  497    H    CYS  30           H        CYS  30  19.168   0.936  -1.834
  498    HA   CYS  30           HA       CYS  30  21.623  -0.603  -1.263
  499   1HB   CYS  30          1HB       CYS  30  19.360  -0.370   0.717
  500   2HB   CYS  30          2HB       CYS  30  20.958  -1.055   0.977
  501    H    GLY  31           H        GLY  31  20.322  -1.374  -3.389
  502   1HA   GLY  31          1HA       GLY  31  19.252  -3.935  -2.637
  503   2HA   GLY  31          2HA       GLY  31  18.050  -2.864  -3.338
  504   1HN   NH2  32          1HN       NH2  32  21.401  -2.841  -4.308
  505   2HN   NH2  32          2HN       NH2  32  21.149  -3.487  -5.895
  Start of MODEL   23
    1   1H    ACE   0          1H        ACE   0 -18.018   0.940  -7.240
    2   2H    ACE   0          2H        ACE   0 -16.620   0.443  -6.281
    3   3H    ACE   0          3H        ACE   0 -17.350   2.030  -6.023
    4    H    GLU   1           H        GLU   1 -18.559  -1.319  -6.244
    5    HA   GLU   1           HA       GLU   1 -20.583  -0.876  -4.289
    6   1HB   GLU   1          1HB       GLU   1 -20.715  -2.562  -6.140
    7   2HB   GLU   1          2HB       GLU   1 -19.514  -3.520  -5.290
    8   1HG   GLU   1          1HG       GLU   1 -21.784  -4.334  -4.888
    9   2HG   GLU   1          2HG       GLU   1 -21.006  -3.778  -3.401
   10    H    VAL   2           H        VAL   2 -20.772  -2.065  -2.248
   11    HA   VAL   2           HA       VAL   2 -18.687  -1.597  -0.490
   12    HB   VAL   2           HB       VAL   2 -20.735  -3.778  -0.099
   13   1HG1  VAL   2          1HG1      VAL   2 -19.085  -2.095   1.757
   14   2HG1  VAL   2          2HG1      VAL   2 -20.544  -2.926   2.295
   15   3HG1  VAL   2          3HG1      VAL   2 -19.183  -3.852   1.655
   16   1HG2  VAL   2          1HG2      VAL   2 -21.239  -1.049  -0.605
   17   2HG2  VAL   2          2HG2      VAL   2 -22.378  -2.291  -0.084
   18   3HG2  VAL   2          3HG2      VAL   2 -21.522  -1.320   1.114
   19    H    ALA   3           H        ALA   3 -19.663  -4.734  -1.877
   20    HA   ALA   3           HA       ALA   3 -17.666  -6.311  -0.757
   21   1HB   ALA   3          1HB       ALA   3 -19.747  -6.924  -2.208
   22   2HB   ALA   3          2HB       ALA   3 -18.599  -6.843  -3.543
   23   3HB   ALA   3          3HB       ALA   3 -18.328  -7.971  -2.213
   24    H    GLN   4           H        GLN   4 -17.659  -4.501  -3.795
   25    HA   GLN   4           HA       GLN   4 -15.166  -5.288  -4.790
   26   1HB   GLN   4          1HB       GLN   4 -16.557  -2.625  -5.035
   27   2HB   GLN   4          2HB       GLN   4 -15.242  -3.177  -6.064
   28   1HG   GLN   4          1HG       GLN   4 -17.975  -4.418  -5.855
   29   2HG   GLN   4          2HG       GLN   4 -17.381  -3.420  -7.180
   30   1HE2  GLN   4          1HE2      GLN   4 -16.914  -7.308  -7.387
   31   2HE2  GLN   4          2HE2      GLN   4 -18.076  -6.455  -6.420
   32    H    LEU   5           H        LEU   5 -16.074  -2.527  -2.786
   33    HA   LEU   5           HA       LEU   5 -13.517  -1.409  -2.504
   34   1HB   LEU   5          1HB       LEU   5 -15.978  -1.296  -0.778
   35   2HB   LEU   5          2HB       LEU   5 -14.548  -0.327  -0.465
   36    HG   LEU   5           HG       LEU   5 -16.191  -0.206  -2.998
   37   1HD1  LEU   5          1HD1      LEU   5 -16.201   1.523  -0.537
   38   2HD1  LEU   5          2HD1      LEU   5 -16.886   2.016  -2.086
   39   3HD1  LEU   5          3HD1      LEU   5 -17.546   0.621  -1.237
   40   1HD2  LEU   5          1HD2      LEU   5 -13.704   1.107  -2.066
   41   2HD2  LEU   5          2HD2      LEU   5 -14.193   0.633  -3.691
   42   3HD2  LEU   5          3HD2      LEU   5 -14.865   2.092  -2.959
   43    H    GLU   6           H        GLU   6 -15.277  -3.785  -0.528
   44    HA   GLU   6           HA       GLU   6 -13.437  -4.011   1.582
   45   1HB   GLU   6          1HB       GLU   6 -15.311  -6.042   0.356
   46   2HB   GLU   6          2HB       GLU   6 -14.373  -6.359   1.807
   47   1HG   GLU   6          1HG       GLU   6 -16.218  -4.010   1.634
   48   2HG   GLU   6          2HG       GLU   6 -16.811  -5.618   2.048
   49    H    LYS   7           H        LYS   7 -13.584  -5.624  -1.555
   50    HA   LYS   7           HA       LYS   7 -11.364  -7.353  -1.080
   51   1HB   LYS   7          1HB       LYS   7 -12.604  -6.417  -3.677
   52   2HB   LYS   7          2HB       LYS   7 -11.444  -7.733  -3.526
   53   1HG   LYS   7          1HG       LYS   7 -13.000  -9.028  -2.235
   54   2HG   LYS   7          2HG       LYS   7 -14.138  -7.683  -2.182
   55   1HD   LYS   7          1HD       LYS   7 -14.349  -7.802  -4.636
   56   2HD   LYS   7          2HD       LYS   7 -13.268  -9.198  -4.638
   57   1HE   LYS   7          1HE       LYS   7 -14.836 -10.444  -3.274
   58   2HE   LYS   7          2HE       LYS   7 -15.900  -9.039  -3.179
   59   1HZ   LYS   7          1HZ       LYS   7 -15.393  -9.552  -5.880
   60   2HZ   LYS   7          2HZ       LYS   7 -15.808 -11.031  -5.149
   61   3HZ   LYS   7          3HZ       LYS   7 -16.859  -9.707  -5.039
   62    H    GLU   8           H        GLU   8 -11.770  -4.149  -2.437
   63    HA   GLU   8           HA       GLU   8  -9.123  -3.853  -3.431
   64   1HB   GLU   8          1HB       GLU   8 -10.961  -2.461  -4.228
   65   2HB   GLU   8          2HB       GLU   8 -11.211  -1.816  -2.614
   66   1HG   GLU   8          1HG       GLU   8 -10.087  -0.171  -3.874
   67   2HG   GLU   8          2HG       GLU   8  -8.920  -0.838  -2.736
   68    H    VAL   9           H        VAL   9 -10.735  -3.108  -0.382
   69    HA   VAL   9           HA       VAL   9  -8.597  -1.733   0.834
   70    HB   VAL   9           HB       VAL   9 -10.887  -3.311   2.035
   71   1HG1  VAL   9          1HG1      VAL   9  -8.801  -3.193   3.499
   72   2HG1  VAL   9          2HG1      VAL   9  -9.076  -1.453   3.564
   73   3HG1  VAL   9          3HG1      VAL   9 -10.293  -2.561   4.196
   74   1HG2  VAL   9          1HG2      VAL   9 -10.449  -0.518   1.210
   75   2HG2  VAL   9          2HG2      VAL   9 -11.942  -1.452   1.335
   76   3HG2  VAL   9          3HG2      VAL   9 -11.229  -0.734   2.778
   77    H    ALA  10           H        ALA  10  -9.579  -5.134   0.849
   78    HA   ALA  10           HA       ALA  10  -7.488  -6.088   2.477
   79   1HB   ALA  10          1HB       ALA  10  -9.141  -7.484   0.383
   80   2HB   ALA  10          2HB       ALA  10  -8.037  -8.304   1.486
   81   3HB   ALA  10          3HB       ALA  10  -9.437  -7.437   2.122
   82    H    GLN  11           H        GLN  11  -7.676  -5.290  -0.896
   83    HA   GLN  11           HA       GLN  11  -5.349  -6.661  -1.794
   84   1HB   GLN  11          1HB       GLN  11  -7.214  -5.771  -3.263
   85   2HB   GLN  11          2HB       GLN  11  -6.609  -4.160  -2.939
   86   1HG   GLN  11          1HG       GLN  11  -5.833  -4.946  -5.090
   87   2HG   GLN  11          2HG       GLN  11  -4.485  -4.711  -3.980
   88   1HE2  GLN  11          1HE2      GLN  11  -3.272  -7.881  -4.485
   89   2HE2  GLN  11          2HE2      GLN  11  -3.021  -6.220  -4.073
   90    H    ALA  12           H        ALA  12  -6.058  -3.299  -0.967
   91    HA   ALA  12           HA       ALA  12  -3.428  -2.344  -1.229
   92   1HB   ALA  12          1HB       ALA  12  -5.540  -0.979  -1.174
   93   2HB   ALA  12          2HB       ALA  12  -5.502  -1.157   0.580
   94   3HB   ALA  12          3HB       ALA  12  -4.179  -0.340  -0.251
   95    H    GLU  13           H        GLU  13  -5.226  -3.566   1.552
   96    HA   GLU  13           HA       GLU  13  -3.342  -2.999   3.542
   97   1HB   GLU  13          1HB       GLU  13  -5.486  -5.079   3.245
   98   2HB   GLU  13          2HB       GLU  13  -4.452  -5.050   4.665
   99   1HG   GLU  13          1HG       GLU  13  -5.890  -2.576   3.828
  100   2HG   GLU  13          2HG       GLU  13  -6.762  -3.851   4.675
  101    H    ALA  14           H        ALA  14  -3.684  -5.768   1.369
  102    HA   ALA  14           HA       ALA  14  -1.630  -7.347   2.505
  103   1HB   ALA  14          1HB       ALA  14  -3.500  -7.790   0.602
  104   2HB   ALA  14          2HB       ALA  14  -2.066  -7.585  -0.404
  105   3HB   ALA  14          3HB       ALA  14  -2.093  -8.823   0.854
  106    H    GLU  15           H        GLU  15  -1.656  -5.024  -0.188
  107    HA   GLU  15           HA       GLU  15   1.068  -5.291  -0.870
  108   1HB   GLU  15          1HB       GLU  15  -1.026  -3.223  -1.330
  109   2HB   GLU  15          2HB       GLU  15   0.647  -2.769  -1.601
  110   1HG   GLU  15          1HG       GLU  15   0.778  -4.813  -3.114
  111   2HG   GLU  15          2HG       GLU  15  -0.984  -4.838  -3.018
  112    H    ASN  16           H        ASN  16  -0.633  -2.934   1.143
  113    HA   ASN  16           HA       ASN  16   1.457  -1.330   1.937
  114   1HB   ASN  16          1HB       ASN  16  -1.055  -1.123   2.426
  115   2HB   ASN  16          2HB       ASN  16  -0.776  -2.193   3.791
  116   1HD2  ASN  16          1HD2      ASN  16  -0.286   1.686   4.233
  117   2HD2  ASN  16          2HD2      ASN  16  -1.182   0.899   2.967
  118    H    TYR  17           H        TYR  17   0.314  -4.321   3.433
  119    HA   TYR  17           HA       TYR  17   2.032  -4.406   5.626
  120   1HB   TYR  17          1HB       TYR  17   0.059  -5.889   5.273
  121   2HB   TYR  17          2HB       TYR  17   0.964  -6.751   4.036
  122    HD1  TYR  17           HD1      TYR  17   1.701  -5.600   7.523
  123    HD2  TYR  17           HD2      TYR  17   1.666  -8.825   4.743
  124    HE1  TYR  17           HE1      TYR  17   2.641  -7.087   9.243
  125    HE2  TYR  17           HE2      TYR  17   2.604 -10.320   6.455
  126    HH   TYR  17           HH       TYR  17   3.835 -10.239   8.486
  127    H    GLN  18           H        GLN  18   2.492  -5.562   2.311
  128    HA   GLN  18           HA       GLN  18   5.056  -6.714   2.859
  129   1HB   GLN  18          1HB       GLN  18   3.654  -6.080   0.265
  130   2HB   GLN  18          2HB       GLN  18   5.212  -6.890   0.362
  131   1HG   GLN  18          1HG       GLN  18   4.184  -8.689   1.667
  132   2HG   GLN  18          2HG       GLN  18   2.621  -7.889   1.524
  133   1HE2  GLN  18          1HE2      GLN  18   1.906  -9.560  -1.406
  134   2HE2  GLN  18          2HE2      GLN  18   1.391  -8.858   0.092
  135    H    LEU  19           H        LEU  19   3.910  -3.639   1.578
  136    HA   LEU  19           HA       LEU  19   6.367  -2.637   0.638
  137   1HB   LEU  19          1HB       LEU  19   4.156  -1.014   1.894
  138   2HB   LEU  19          2HB       LEU  19   5.384  -0.439   0.784
  139    HG   LEU  19           HG       LEU  19   3.055  -2.250   0.157
  140   1HD1  LEU  19          1HD1      LEU  19   3.668   0.600  -0.170
  141   2HD1  LEU  19          2HD1      LEU  19   2.982  -0.195  -1.588
  142   3HD1  LEU  19          3HD1      LEU  19   2.117  -0.231  -0.052
  143   1HD2  LEU  19          1HD2      LEU  19   5.360  -2.707  -1.000
  144   2HD2  LEU  19          2HD2      LEU  19   3.866  -2.672  -1.939
  145   3HD2  LEU  19          3HD2      LEU  19   4.931  -1.271  -1.932
  146    H    GLU  20           H        GLU  20   4.769  -2.307   3.794
  147    HA   GLU  20           HA       GLU  20   6.761  -0.750   5.007
  148   1HB   GLU  20          1HB       GLU  20   4.718  -2.642   6.168
  149   2HB   GLU  20          2HB       GLU  20   5.782  -1.660   7.165
  150   1HG   GLU  20          1HG       GLU  20   3.885  -0.547   5.113
  151   2HG   GLU  20          2HG       GLU  20   3.518  -0.703   6.830
  152    H    GLN  21           H        GLN  21   6.405  -4.250   4.719
  153    HA   GLN  21           HA       GLN  21   8.552  -4.943   6.433
  154   1HB   GLN  21          1HB       GLN  21   7.240  -6.391   4.137
  155   2HB   GLN  21          2HB       GLN  21   8.532  -7.103   5.093
  156   1HG   GLN  21          1HG       GLN  21   7.153  -6.897   7.098
  157   2HG   GLN  21          2HG       GLN  21   5.856  -6.202   6.125
  158   1HE2  GLN  21          1HE2      GLN  21   6.215  -9.701   4.411
  159   2HE2  GLN  21          2HE2      GLN  21   7.111  -8.268   4.037
  160    H    GLU  22           H        GLU  22   8.310  -4.396   2.953
  161    HA   GLU  22           HA       GLU  22  10.974  -5.037   2.299
  162   1HB   GLU  22          1HB       GLU  22   9.022  -4.828   0.717
  163   2HB   GLU  22          2HB       GLU  22   9.146  -3.084   0.892
  164   1HG   GLU  22          1HG       GLU  22  10.209  -3.752  -1.133
  165   2HG   GLU  22          2HG       GLU  22  11.438  -3.192  -0.002
  166    H    VAL  23           H        VAL  23   9.353  -1.951   3.038
  167    HA   VAL  23           HA       VAL  23  11.597  -0.299   2.701
  168    HB   VAL  23           HB       VAL  23   9.114   0.037   4.379
  169   1HG1  VAL  23          1HG1      VAL  23  11.405   1.960   4.015
  170   2HG1  VAL  23          2HG1      VAL  23   9.800   2.442   4.565
  171   3HG1  VAL  23          3HG1      VAL  23  10.759   1.319   5.527
  172   1HG2  VAL  23          1HG2      VAL  23   9.776   0.474   1.632
  173   2HG2  VAL  23          2HG2      VAL  23   8.228   0.706   2.449
  174   3HG2  VAL  23          3HG2      VAL  23   9.401   2.020   2.393
  175    H    ALA  24           H        ALA  24  10.310  -1.871   5.627
  176    HA   ALA  24           HA       ALA  24  12.194  -0.883   7.442
  177   1HB   ALA  24          1HB       ALA  24  10.041  -2.261   7.854
  178   2HB   ALA  24          2HB       ALA  24  11.108  -3.656   7.692
  179   3HB   ALA  24          3HB       ALA  24  11.409  -2.456   8.949
  180    H    GLN  25           H        GLN  25  12.238  -3.794   5.431
  181    HA   GLN  25           HA       GLN  25  14.673  -4.852   6.375
  182   1HB   GLN  25          1HB       GLN  25  12.903  -6.010   4.965
  183   2HB   GLN  25          2HB       GLN  25  13.578  -5.167   3.579
  184   1HG   GLN  25          1HG       GLN  25  15.741  -6.240   3.997
  185   2HG   GLN  25          2HG       GLN  25  15.032  -7.112   5.356
  186   1HE2  GLN  25          1HE2      GLN  25  13.714  -9.641   3.400
  187   2HE2  GLN  25          2HE2      GLN  25  14.087  -9.007   4.970
  188    H    LEU  26           H        LEU  26  13.919  -2.759   3.600
  189    HA   LEU  26           HA       LEU  26  16.558  -2.548   2.651
  190   1HB   LEU  26          1HB       LEU  26  14.231  -0.662   2.358
  191   2HB   LEU  26          2HB       LEU  26  15.745  -0.503   1.490
  192    HG   LEU  26           HG       LEU  26  13.800  -2.803   1.254
  193   1HD1  LEU  26          1HD1      LEU  26  13.534  -0.357   0.160
  194   2HD1  LEU  26          2HD1      LEU  26  14.527  -1.144  -1.066
  195   3HD1  LEU  26          3HD1      LEU  26  12.975  -1.842  -0.612
  196   1HD2  LEU  26          1HD2      LEU  26  16.603  -2.498   0.471
  197   2HD2  LEU  26          2HD2      LEU  26  15.625  -3.957   0.642
  198   3HD2  LEU  26          3HD2      LEU  26  15.538  -3.004  -0.839
  199    H    GLU  27           H        GLU  27  14.702  -0.428   4.847
  200    HA   GLU  27           HA       GLU  27  16.674   1.534   5.226
  201   1HB   GLU  27          1HB       GLU  27  14.494   0.503   7.039
  202   2HB   GLU  27          2HB       GLU  27  15.547   1.829   7.502
  203   1HG   GLU  27          1HG       GLU  27  13.943   1.906   4.974
  204   2HG   GLU  27          2HG       GLU  27  13.257   2.380   6.525
  205    H    HIS  28           H        HIS  28  16.086  -1.510   6.850
  206    HA   HIS  28           HA       HIS  28  18.043  -1.256   8.863
  207   1HB   HIS  28          1HB       HIS  28  16.224  -2.756   9.185
  208   2HB   HIS  28          2HB       HIS  28  16.568  -3.609   7.689
  209    HD1  HIS  28           HD1      HIS  28  18.774  -2.912  10.759
  210    HD2  HIS  28           HD2      HIS  28  17.382  -6.021   8.375
  211    HE1  HIS  28           HE1      HIS  28  19.844  -5.030  11.649
  212    H    GLU  29           H        GLU  29  18.119  -2.867   5.679
  213    HA   GLU  29           HA       GLU  29  20.826  -3.749   6.082
  214   1HB   GLU  29          1HB       GLU  29  19.150  -3.719   3.577
  215   2HB   GLU  29          2HB       GLU  29  20.699  -4.524   3.750
  216   1HG   GLU  29          1HG       GLU  29  18.232  -5.181   5.341
  217   2HG   GLU  29          2HG       GLU  29  18.772  -6.047   3.905
  218    H    CYS  30           H        CYS  30  19.285  -1.036   4.529
  219    HA   CYS  30           HA       CYS  30  21.562  -0.198   3.034
  220   1HB   CYS  30          1HB       CYS  30  19.238   0.471   2.479
  221   2HB   CYS  30          2HB       CYS  30  19.194   1.451   3.939
  222    H    GLY  31           H        GLY  31  20.237   0.727   6.186
  223   1HA   GLY  31          1HA       GLY  31  22.405   2.610   6.627
  224   2HA   GLY  31          2HA       GLY  31  21.084   2.259   7.732
  225   1HN   NH2  32          1HN       NH2  32  24.038   0.861   6.384
  226   2HN   NH2  32          2HN       NH2  32  24.467  -0.039   7.800
  227   1H    ACE   0          1H        ACE   0 -17.850  -0.382   7.008
  228   2H    ACE   0          2H        ACE   0 -18.938  -1.773   7.041
  229   3H    ACE   0          3H        ACE   0 -19.340  -0.314   7.954
  230    H    GLU   1           H        GLU   1 -19.421   1.725   6.520
  231    HA   GLU   1           HA       GLU   1 -21.282   1.161   4.405
  232   1HB   GLU   1          1HB       GLU   1 -21.455   3.665   4.242
  233   2HB   GLU   1          2HB       GLU   1 -21.920   2.976   5.785
  234   1HG   GLU   1          1HG       GLU   1 -19.162   4.042   5.358
  235   2HG   GLU   1          2HG       GLU   1 -20.502   5.133   5.690
  236    H    VAL   2           H        VAL   2 -21.151   2.355   2.324
  237    HA   VAL   2           HA       VAL   2 -18.894   1.582   0.878
  238    HB   VAL   2           HB       VAL   2 -21.076   3.565   0.221
  239   1HG1  VAL   2          1HG1      VAL   2 -18.642   3.703  -0.961
  240   2HG1  VAL   2          2HG1      VAL   2 -19.452   2.531  -1.999
  241   3HG1  VAL   2          3HG1      VAL   2 -20.157   4.128  -1.756
  242   1HG2  VAL   2          1HG2      VAL   2 -20.695   0.689  -0.044
  243   2HG2  VAL   2          2HG2      VAL   2 -22.175   1.645  -0.112
  244   3HG2  VAL   2          3HG2      VAL   2 -21.174   1.465  -1.554
  245    H    GLN   3           H        GLN   3 -19.858   4.794   2.065
  246    HA   GLN   3           HA       GLN   3 -17.634   6.218   1.115
  247   1HB   GLN   3          1HB       GLN   3 -19.664   7.293   2.032
  248   2HB   GLN   3          2HB       GLN   3 -19.236   6.716   3.637
  249   1HG   GLN   3          1HG       GLN   3 -17.112   8.020   3.448
  250   2HG   GLN   3          2HG       GLN   3 -17.751   8.719   1.961
  251   1HE2  GLN   3          1HE2      GLN   3 -19.553  11.147   3.597
  252   2HE2  GLN   3          2HE2      GLN   3 -18.803  10.549   2.157
  253    H    ALA   4           H        ALA   4 -18.172   4.387   4.070
  254    HA   ALA   4           HA       ALA   4 -15.882   5.074   5.495
  255   1HB   ALA   4          1HB       ALA   4 -17.834   2.896   5.530
  256   2HB   ALA   4          2HB       ALA   4 -16.252   2.458   6.173
  257   3HB   ALA   4          3HB       ALA   4 -17.139   3.820   6.862
  258    H    LEU   5           H        LEU   5 -16.415   2.421   3.221
  259    HA   LEU   5           HA       LEU   5 -13.764   1.427   3.361
  260   1HB   LEU   5          1HB       LEU   5 -15.925   1.045   1.290
  261   2HB   LEU   5          2HB       LEU   5 -14.412   0.158   1.314
  262    HG   LEU   5           HG       LEU   5 -16.460   0.096   3.534
  263   1HD1  LEU   5          1HD1      LEU   5 -16.110  -1.529   1.078
  264   2HD1  LEU   5          2HD1      LEU   5 -16.543  -2.366   2.568
  265   3HD1  LEU   5          3HD1      LEU   5 -17.581  -1.083   1.943
  266   1HD2  LEU   5          1HD2      LEU   5 -13.764  -0.554   3.552
  267   2HD2  LEU   5          2HD2      LEU   5 -14.982  -1.058   4.723
  268   3HD2  LEU   5          3HD2      LEU   5 -14.590  -2.098   3.354
  269    H    LYS   6           H        LYS   6 -15.328   3.845   1.300
  270    HA   LYS   6           HA       LYS   6 -13.288   3.932  -0.652
  271   1HB   LYS   6          1HB       LYS   6 -15.252   6.035   0.260
  272   2HB   LYS   6          2HB       LYS   6 -14.186   6.225  -1.126
  273   1HG   LYS   6          1HG       LYS   6 -15.220   4.282  -2.189
  274   2HG   LYS   6          2HG       LYS   6 -16.293   4.099  -0.800
  275   1HD   LYS   6          1HD       LYS   6 -17.508   5.235  -2.492
  276   2HD   LYS   6          2HD       LYS   6 -17.117   6.418  -1.244
  277   1HE   LYS   6          1HE       LYS   6 -15.219   7.198  -2.592
  278   2HE   LYS   6          2HE       LYS   6 -15.634   6.029  -3.843
  279   1HZ   LYS   6          1HZ       LYS   6 -17.953   7.359  -3.514
  280   2HZ   LYS   6          2HZ       LYS   6 -16.819   8.592  -3.248
  281   3HZ   LYS   6          3HZ       LYS   6 -16.787   7.716  -4.699
  282    H    LYS   7           H        LYS   7 -13.764   5.590   2.421
  283    HA   LYS   7           HA       LYS   7 -11.490   7.282   2.175
  284   1HB   LYS   7          1HB       LYS   7 -12.697   6.312   4.767
  285   2HB   LYS   7          2HB       LYS   7 -11.758   7.771   4.507
  286   1HG   LYS   7          1HG       LYS   7 -14.598   7.200   3.763
  287   2HG   LYS   7          2HG       LYS   7 -13.940   8.534   4.705
  288   1HD   LYS   7          1HD       LYS   7 -13.583   8.110   1.739
  289   2HD   LYS   7          2HD       LYS   7 -14.682   9.269   2.494
  290   1HE   LYS   7          1HE       LYS   7 -12.725  10.380   3.539
  291   2HE   LYS   7          2HE       LYS   7 -11.668   9.269   2.667
  292   1HZ   LYS   7          1HZ       LYS   7 -12.564  10.140   0.577
  293   2HZ   LYS   7          2HZ       LYS   7 -13.532  11.235   1.437
  294   3HZ   LYS   7          3HZ       LYS   7 -11.843  11.366   1.502
  295    H    ARG   8           H        ARG   8 -12.070   4.046   3.381
  296    HA   ARG   8           HA       ARG   8  -9.555   3.608   4.596
  297   1HB   ARG   8          1HB       ARG   8 -11.575   2.166   4.916
  298   2HB   ARG   8          2HB       ARG   8 -11.363   1.572   3.275
  299   1HG   ARG   8          1HG       ARG   8 -10.462  -0.040   4.782
  300   2HG   ARG   8          2HG       ARG   8  -9.120   0.727   3.928
  301   1HD   ARG   8          1HD       ARG   8  -8.802   2.228   5.861
  302   2HD   ARG   8          2HD       ARG   8 -10.086   1.363   6.703
  303    HE   ARG   8           HE       ARG   8  -8.290  -0.581   6.014
  304   1HH1  ARG   8          1HH1      ARG   8  -8.154   2.412   7.822
  305   2HH1  ARG   8          2HH1      ARG   8  -6.850   1.894   8.848
  306   1HH2  ARG   8          1HH2      ARG   8  -6.552  -1.280   7.358
  307   2HH2  ARG   8          2HH2      ARG   8  -5.953  -0.211   8.600
  308    H    VAL   9           H        VAL   9 -10.812   2.975   1.347
  309    HA   VAL   9           HA       VAL   9  -8.511   1.791   0.263
  310    HB   VAL   9           HB       VAL   9 -10.690   3.394  -1.094
  311   1HG1  VAL   9          1HG1      VAL   9  -8.258   2.097  -2.179
  312   2HG1  VAL   9          2HG1      VAL   9  -9.760   1.872  -3.076
  313   3HG1  VAL   9          3HG1      VAL   9  -9.153   3.499  -2.764
  314   1HG2  VAL   9          1HG2      VAL   9 -10.766   0.886   0.074
  315   2HG2  VAL   9          2HG2      VAL   9 -11.911   1.530  -1.102
  316   3HG2  VAL   9          3HG2      VAL   9 -10.551   0.549  -1.646
  317    H    GLN  10           H        GLN  10  -9.601   5.178   0.288
  318    HA   GLN  10           HA       GLN  10  -7.420   6.243  -1.133
  319   1HB   GLN  10          1HB       GLN  10  -9.267   7.497   0.894
  320   2HB   GLN  10          2HB       GLN  10  -8.082   8.404  -0.036
  321   1HG   GLN  10          1HG       GLN  10 -10.335   6.786  -1.209
  322   2HG   GLN  10          2HG       GLN  10 -10.343   8.529  -0.983
  323   1HE2  GLN  10          1HE2      GLN  10  -8.974   7.080  -4.362
  324   2HE2  GLN  10          2HE2      GLN  10 -10.064   6.307  -3.264
  325    H    ALA  11           H        ALA  11  -7.924   5.674   2.318
  326    HA   ALA  11           HA       ALA  11  -5.586   6.966   3.237
  327   1HB   ALA  11          1HB       ALA  11  -7.717   5.472   4.369
  328   2HB   ALA  11          2HB       ALA  11  -6.200   4.773   4.937
  329   3HB   ALA  11          3HB       ALA  11  -6.531   6.486   5.189
  330    H    LEU  12           H        LEU  12  -6.286   3.584   2.456
  331    HA   LEU  12           HA       LEU  12  -3.717   2.576   3.007
  332   1HB   LEU  12          1HB       LEU  12  -5.926   1.614   1.226
  333   2HB   LEU  12          2HB       LEU  12  -4.422   0.737   1.396
  334    HG   LEU  12           HG       LEU  12  -6.145   1.430   3.761
  335   1HD1  LEU  12          1HD1      LEU  12  -6.325  -0.863   1.843
  336   2HD1  LEU  12          2HD1      LEU  12  -6.744  -1.081   3.543
  337   3HD1  LEU  12          3HD1      LEU  12  -7.616   0.096   2.563
  338   1HD2  LEU  12          1HD2      LEU  12  -3.889  -0.497   3.247
  339   2HD2  LEU  12          2HD2      LEU  12  -3.905   0.880   4.352
  340   3HD2  LEU  12          3HD2      LEU  12  -4.895  -0.536   4.696
  341    H    LYS  13           H        LYS  13  -5.198   3.486  -0.119
  342    HA   LYS  13           HA       LYS  13  -2.957   3.002  -1.715
  343   1HB   LYS  13          1HB       LYS  13  -5.414   4.641  -1.970
  344   2HB   LYS  13          2HB       LYS  13  -4.087   5.073  -3.035
  345   1HG   LYS  13          1HG       LYS  13  -5.640   3.525  -4.110
  346   2HG   LYS  13          2HG       LYS  13  -4.032   2.823  -3.941
  347   1HD   LYS  13          1HD       LYS  13  -4.755   1.493  -2.070
  348   2HD   LYS  13          2HD       LYS  13  -6.327   2.293  -2.054
  349   1HE   LYS  13          1HE       LYS  13  -6.527   0.120  -3.091
  350   2HE   LYS  13          2HE       LYS  13  -6.789   1.378  -4.296
  351   1HZ   LYS  13          1HZ       LYS  13  -4.147   0.082  -3.918
  352   2HZ   LYS  13          2HZ       LYS  13  -5.320  -0.562  -4.956
  353   3HZ   LYS  13          3HZ       LYS  13  -4.691   0.989  -5.245
  354    H    ALA  14           H        ALA  14  -3.796   5.830   0.223
  355    HA   ALA  14           HA       ALA  14  -1.747   7.535  -0.759
  356   1HB   ALA  14          1HB       ALA  14  -3.837   7.814   1.017
  357   2HB   ALA  14          2HB       ALA  14  -2.412   7.958   2.045
  358   3HB   ALA  14          3HB       ALA  14  -2.612   9.033   0.662
  359    H    ARG  15           H        ARG  15  -1.927   5.263   1.942
  360    HA   ARG  15           HA       ARG  15   0.695   5.736   2.939
  361   1HB   ARG  15          1HB       ARG  15  -1.204   3.400   3.191
  362   2HB   ARG  15          2HB       ARG  15   0.371   3.417   3.965
  363   1HG   ARG  15          1HG       ARG  15  -1.797   5.446   4.458
  364   2HG   ARG  15          2HG       ARG  15  -1.476   4.036   5.473
  365   1HD   ARG  15          1HD       ARG  15   0.880   4.904   5.714
  366   2HD   ARG  15          2HD       ARG  15   0.319   6.386   4.951
  367    HE   ARG  15           HE       ARG  15  -0.732   6.964   6.904
  368   1HH1  ARG  15          1HH1      ARG  15   0.225   3.597   7.071
  369   2HH1  ARG  15          2HH1      ARG  15  -0.226   3.426   8.740
  370   1HH2  ARG  15          1HH2      ARG  15  -1.369   6.731   9.076
  371   2HH2  ARG  15          2HH2      ARG  15  -1.145   5.200   9.876
  372    H    ASN  16           H        ASN  16  -0.734   3.401   0.751
  373    HA   ASN  16           HA       ASN  16   1.519   1.840   0.213
  374   1HB   ASN  16          1HB       ASN  16  -1.051   2.426  -1.222
  375   2HB   ASN  16          2HB       ASN  16   0.172   1.437  -1.993
  376   1HD2  ASN  16          1HD2      ASN  16  -1.093  -1.381  -0.456
  377   2HD2  ASN  16          2HD2      ASN  16  -0.489  -0.601  -1.873
  378    H    TYR  17           H        TYR  17   0.271   4.769  -1.298
  379    HA   TYR  17           HA       TYR  17   2.036   4.912  -3.475
  380   1HB   TYR  17          1HB       TYR  17  -0.107   6.278  -2.910
  381   2HB   TYR  17          2HB       TYR  17   0.986   7.340  -2.035
  382    HD1  TYR  17           HD1      TYR  17   3.148   8.035  -3.534
  383    HD2  TYR  17           HD2      TYR  17  -0.659   6.891  -5.042
  384    HE1  TYR  17           HE1      TYR  17   3.617   9.248  -5.622
  385    HE2  TYR  17           HE2      TYR  17  -0.201   8.097  -7.133
  386    HH   TYR  17           HH       TYR  17   2.697  10.070  -7.533
  387    H    ALA  18           H        ALA  18   2.246   6.262  -0.197
  388    HA   ALA  18           HA       ALA  18   4.752   7.539  -0.591
  389   1HB   ALA  18          1HB       ALA  18   2.849   7.227   1.540
  390   2HB   ALA  18          2HB       ALA  18   4.491   6.990   2.141
  391   3HB   ALA  18          3HB       ALA  18   4.066   8.481   1.300
  392    H    ALA  19           H        ALA  19   3.806   4.362   0.607
  393    HA   ALA  19           HA       ALA  19   6.408   3.624   1.488
  394   1HB   ALA  19          1HB       ALA  19   3.785   2.472   1.481
  395   2HB   ALA  19          2HB       ALA  19   4.976   1.282   0.952
  396   3HB   ALA  19          3HB       ALA  19   5.170   2.098   2.506
  397    H    LYS  20           H        LYS  20   4.580   3.053  -1.499
  398    HA   LYS  20           HA       LYS  20   6.327   1.248  -2.710
  399   1HB   LYS  20          1HB       LYS  20   4.381   3.251  -3.802
  400   2HB   LYS  20          2HB       LYS  20   5.394   2.312  -4.889
  401   1HG   LYS  20          1HG       LYS  20   4.440   0.267  -4.149
  402   2HG   LYS  20          2HG       LYS  20   3.609   1.070  -2.814
  403   1HD   LYS  20          1HD       LYS  20   2.215   2.288  -4.373
  404   2HD   LYS  20          2HD       LYS  20   3.093   1.595  -5.738
  405   1HE   LYS  20          1HE       LYS  20   1.563  -0.031  -3.708
  406   2HE   LYS  20          2HE       LYS  20   0.896   0.501  -5.252
  407   1HZ   LYS  20          1HZ       LYS  20   3.350  -1.162  -5.016
  408   2HZ   LYS  20          2HZ       LYS  20   1.793  -1.813  -5.227
  409   3HZ   LYS  20          3HZ       LYS  20   2.469  -0.812  -6.420
  410    H    GLN  21           H        GLN  21   6.271   4.808  -2.963
  411    HA   GLN  21           HA       GLN  21   8.541   4.941  -4.649
  412   1HB   GLN  21          1HB       GLN  21   8.643   7.353  -3.943
  413   2HB   GLN  21          2HB       GLN  21   7.100   6.841  -4.610
  414   1HG   GLN  21          1HG       GLN  21   6.315   6.539  -2.240
  415   2HG   GLN  21          2HG       GLN  21   7.795   7.356  -1.739
  416   1HE2  GLN  21          1HE2      GLN  21   4.623   9.431  -3.009
  417   2HE2  GLN  21          2HE2      GLN  21   4.632   7.702  -2.818
  418    H    LYS  22           H        LYS  22   8.124   4.655  -1.209
  419    HA   LYS  22           HA       LYS  22  10.768   5.395  -0.458
  420   1HB   LYS  22          1HB       LYS  22   8.422   4.215   0.853
  421   2HB   LYS  22          2HB       LYS  22   9.944   3.583   1.465
  422   1HG   LYS  22          1HG       LYS  22   9.212   6.501   1.312
  423   2HG   LYS  22          2HG       LYS  22   9.123   5.494   2.759
  424   1HD   LYS  22          1HD       LYS  22  11.662   5.842   1.188
  425   2HD   LYS  22          2HD       LYS  22  11.204   6.932   2.497
  426   1HE   LYS  22          1HE       LYS  22  11.377   3.950   2.851
  427   2HE   LYS  22          2HE       LYS  22  12.765   5.012   3.082
  428   1HZ   LYS  22          1HZ       LYS  22  11.087   6.259   4.636
  429   2HZ   LYS  22          2HZ       LYS  22  10.336   4.742   4.708
  430   3HZ   LYS  22          3HZ       LYS  22  11.951   4.912   5.194
  431    H    VAL  23           H        VAL  23   9.176   2.347  -1.253
  432    HA   VAL  23           HA       VAL  23  11.325   0.609  -0.764
  433    HB   VAL  23           HB       VAL  23   9.153   0.362  -2.862
  434   1HG1  VAL  23          1HG1      VAL  23  11.402  -1.134  -2.746
  435   2HG1  VAL  23          2HG1      VAL  23  10.327  -2.068  -1.705
  436   3HG1  VAL  23          3HG1      VAL  23   9.855  -1.709  -3.365
  437   1HG2  VAL  23          1HG2      VAL  23   8.283   0.601  -0.565
  438   2HG2  VAL  23          2HG2      VAL  23   7.943  -0.984  -1.257
  439   3HG2  VAL  23          3HG2      VAL  23   9.240  -0.797  -0.077
  440    H    GLN  24           H        GLN  24  10.282   2.200  -3.770
  441    HA   GLN  24           HA       GLN  24  12.378   1.253  -5.382
  442   1HB   GLN  24          1HB       GLN  24  10.795   3.815  -5.672
  443   2HB   GLN  24          2HB       GLN  24  11.749   3.049  -6.935
  444   1HG   GLN  24          1HG       GLN  24   9.378   1.775  -5.586
  445   2HG   GLN  24          2HG       GLN  24   9.307   2.650  -7.114
  446   1HE2  GLN  24          1HE2      GLN  24   9.954  -0.216  -8.901
  447   2HE2  GLN  24          2HE2      GLN  24   9.112   1.285  -8.728
  448    H    ALA  25           H        ALA  25  12.123   4.087  -3.310
  449    HA   ALA  25           HA       ALA  25  14.518   5.339  -4.192
  450   1HB   ALA  25          1HB       ALA  25  12.488   6.236  -2.742
  451   2HB   ALA  25          2HB       ALA  25  13.559   5.782  -1.417
  452   3HB   ALA  25          3HB       ALA  25  14.098   6.944  -2.628
  453    H    LEU  26           H        LEU  26  13.736   3.197  -1.488
  454    HA   LEU  26           HA       LEU  26  16.320   3.190  -0.354
  455   1HB   LEU  26          1HB       LEU  26  14.101   1.161  -0.193
  456   2HB   LEU  26          2HB       LEU  26  15.552   1.117   0.790
  457    HG   LEU  26           HG       LEU  26  13.514   3.339   0.812
  458   1HD1  LEU  26          1HD1      LEU  26  13.993   1.035   2.678
  459   2HD1  LEU  26          2HD1      LEU  26  13.033   2.456   3.092
  460   3HD1  LEU  26          3HD1      LEU  26  12.526   1.404   1.771
  461   1HD2  LEU  26          1HD2      LEU  26  16.134   3.512   1.484
  462   2HD2  LEU  26          2HD2      LEU  26  14.847   4.485   2.198
  463   3HD2  LEU  26          3HD2      LEU  26  15.411   3.029   3.018
  464    H    ARG  27           H        ARG  27  14.789   1.215  -2.848
  465    HA   ARG  27           HA       ARG  27  16.849  -0.721  -3.043
  466   1HB   ARG  27          1HB       ARG  27  14.492   0.030  -4.622
  467   2HB   ARG  27          2HB       ARG  27  15.822  -0.569  -5.600
  468   1HG   ARG  27          1HG       ARG  27  14.889  -2.564  -5.173
  469   2HG   ARG  27          2HG       ARG  27  15.788  -2.433  -3.660
  470   1HD   ARG  27          1HD       ARG  27  13.784  -1.401  -2.624
  471   2HD   ARG  27          2HD       ARG  27  12.902  -1.703  -4.119
  472    HE   ARG  27           HE       ARG  27  13.436  -3.568  -2.042
  473   1HH1  ARG  27          1HH1      ARG  27  13.061  -3.357  -5.536
  474   2HH1  ARG  27          2HH1      ARG  27  12.613  -5.035  -5.698
  475   1HH2  ARG  27          1HH2      ARG  27  12.836  -5.742  -2.269
  476   2HH2  ARG  27          2HH2      ARG  27  12.479  -6.379  -3.850
  477    H    HIS  28           H        HIS  28  16.283   2.405  -4.492
  478    HA   HIS  28           HA       HIS  28  18.437   2.361  -6.349
  479   1HB   HIS  28          1HB       HIS  28  16.469   3.852  -6.542
  480   2HB   HIS  28          2HB       HIS  28  16.994   4.699  -5.093
  481    HD1  HIS  28           HD1      HIS  28  18.540   3.917  -8.522
  482    HD2  HIS  28           HD2      HIS  28  18.318   6.928  -5.664
  483    HE1  HIS  28           HE1      HIS  28  19.801   5.899  -9.468
  484    H    LYS  29           H        LYS  29  17.994   3.698  -3.112
  485    HA   LYS  29           HA       LYS  29  20.512   4.927  -2.870
  486   1HB   LYS  29          1HB       LYS  29  18.472   5.355  -1.459
  487   2HB   LYS  29          2HB       LYS  29  18.797   3.837  -0.638
  488   1HG   LYS  29          1HG       LYS  29  20.861   4.668   0.230
  489   2HG   LYS  29          2HG       LYS  29  20.726   6.140  -0.738
  490   1HD   LYS  29          1HD       LYS  29  18.655   6.709   0.490
  491   2HD   LYS  29          2HD       LYS  29  18.890   5.281   1.500
  492   1HE   LYS  29          1HE       LYS  29  20.880   7.528   1.241
  493   2HE   LYS  29          2HE       LYS  29  19.683   7.411   2.528
  494   1HZ   LYS  29          1HZ       LYS  29  21.525   5.166   2.039
  495   2HZ   LYS  29          2HZ       LYS  29  22.062   6.517   2.905
  496   3HZ   LYS  29          3HZ       LYS  29  20.739   5.621   3.473
  497    H    CYS  30           H        CYS  30  19.347   1.739  -1.857
  498    HA   CYS  30           HA       CYS  30  22.154   0.878  -1.736
  499   1HB   CYS  30          1HB       CYS  30  20.050   0.388   0.375
  500   2HB   CYS  30          2HB       CYS  30  21.531  -0.557   0.261
  501    H    GLY  31           H        GLY  31  18.892  -0.529  -1.309
  502   1HA   GLY  31          1HA       GLY  31  17.839  -2.130  -2.622
  503   2HA   GLY  31          2HA       GLY  31  19.257  -2.177  -3.657
  504   1HN   NH2  32          1HN       NH2  32  21.237  -3.127  -2.469
  505   2HN   NH2  32          2HN       NH2  32  20.943  -4.605  -1.612
  Start of MODEL   24
    1   1H    ACE   0          1H        ACE   0 -19.270   1.893  -4.072
    2   2H    ACE   0          2H        ACE   0 -20.776   1.768  -4.986
    3   3H    ACE   0          3H        ACE   0 -19.430   0.684  -5.349
    4    H    GLU   1           H        GLU   1 -19.495  -1.280  -4.448
    5    HA   GLU   1           HA       GLU   1 -21.486  -1.799  -2.384
    6   1HB   GLU   1          1HB       GLU   1 -21.427  -3.313  -4.309
    7   2HB   GLU   1          2HB       GLU   1 -19.748  -3.705  -3.962
    8   1HG   GLU   1          1HG       GLU   1 -20.395  -4.711  -1.852
    9   2HG   GLU   1          2HG       GLU   1 -22.078  -4.281  -2.149
   10    H    VAL   2           H        VAL   2 -21.036  -2.649  -0.371
   11    HA   VAL   2           HA       VAL   2 -18.656  -1.849   0.889
   12    HB   VAL   2           HB       VAL   2 -20.558  -4.003   1.832
   13   1HG1  VAL   2          1HG1      VAL   2 -18.218  -2.720   3.001
   14   2HG1  VAL   2          2HG1      VAL   2 -19.648  -2.649   4.032
   15   3HG1  VAL   2          3HG1      VAL   2 -19.050  -4.205   3.462
   16   1HG2  VAL   2          1HG2      VAL   2 -21.081  -1.270   1.379
   17   2HG2  VAL   2          2HG2      VAL   2 -22.104  -2.455   2.194
   18   3HG2  VAL   2          3HG2      VAL   2 -20.959  -1.491   3.125
   19    H    ALA   3           H        ALA   3 -19.707  -5.003  -0.344
   20    HA   ALA   3           HA       ALA   3 -17.540  -6.545   0.525
   21   1HB   ALA   3          1HB       ALA   3 -19.607  -6.796  -1.573
   22   2HB   ALA   3          2HB       ALA   3 -18.192  -7.838  -1.708
   23   3HB   ALA   3          3HB       ALA   3 -19.188  -7.888  -0.253
   24    H    GLN   4           H        GLN   4 -17.970  -4.689  -2.464
   25    HA   GLN   4           HA       GLN   4 -15.615  -5.472  -3.777
   26   1HB   GLN   4          1HB       GLN   4 -16.953  -2.770  -3.872
   27   2HB   GLN   4          2HB       GLN   4 -15.850  -3.421  -5.076
   28   1HG   GLN   4          1HG       GLN   4 -18.598  -4.450  -4.423
   29   2HG   GLN   4          2HG       GLN   4 -18.119  -3.550  -5.860
   30   1HE2  GLN   4          1HE2      GLN   4 -18.038  -7.452  -5.987
   31   2HE2  GLN   4          2HE2      GLN   4 -18.977  -6.461  -4.911
   32    H    LEU   5           H        LEU   5 -16.309  -2.753  -1.652
   33    HA   LEU   5           HA       LEU   5 -13.747  -1.616  -1.663
   34   1HB   LEU   5          1HB       LEU   5 -16.009  -1.488   0.310
   35   2HB   LEU   5          2HB       LEU   5 -14.569  -0.488   0.421
   36    HG   LEU   5           HG       LEU   5 -16.468  -0.485  -1.924
   37   1HD1  LEU   5          1HD1      LEU   5 -16.894   0.546   0.632
   38   2HD1  LEU   5          2HD1      LEU   5 -16.424   1.926  -0.362
   39   3HD1  LEU   5          3HD1      LEU   5 -17.792   0.920  -0.838
   40   1HD2  LEU   5          1HD2      LEU   5 -13.930   0.898  -1.282
   41   2HD2  LEU   5          2HD2      LEU   5 -14.596   0.406  -2.841
   42   3HD2  LEU   5          3HD2      LEU   5 -15.198   1.856  -2.050
   43    H    GLU   6           H        GLU   6 -15.262  -4.060   0.385
   44    HA   GLU   6           HA       GLU   6 -13.278  -4.245   2.361
   45   1HB   GLU   6          1HB       GLU   6 -15.303  -6.153   1.246
   46   2HB   GLU   6          2HB       GLU   6 -14.107  -6.730   2.400
   47   1HG   GLU   6          1HG       GLU   6 -15.948  -4.410   2.905
   48   2HG   GLU   6          2HG       GLU   6 -16.296  -6.073   3.387
   49    H    LYS   7           H        LYS   7 -13.575  -5.760  -0.811
   50    HA   LYS   7           HA       LYS   7 -11.268  -7.418  -0.569
   51   1HB   LYS   7          1HB       LYS   7 -12.617  -6.369  -3.069
   52   2HB   LYS   7          2HB       LYS   7 -11.487  -7.716  -2.993
   53   1HG   LYS   7          1HG       LYS   7 -13.039  -9.023  -1.715
   54   2HG   LYS   7          2HG       LYS   7 -14.147  -7.654  -1.581
   55   1HD   LYS   7          1HD       LYS   7 -14.393  -7.677  -4.047
   56   2HD   LYS   7          2HD       LYS   7 -13.369  -9.115  -4.105
   57   1HE   LYS   7          1HE       LYS   7 -14.964 -10.327  -2.729
   58   2HE   LYS   7          2HE       LYS   7 -15.983  -8.893  -2.619
   59   1HZ   LYS   7          1HZ       LYS   7 -15.596  -9.312  -5.314
   60   2HZ   LYS   7          2HZ       LYS   7 -15.848 -10.855  -4.666
   61   3HZ   LYS   7          3HZ       LYS   7 -17.004  -9.639  -4.423
   62    H    GLU   8           H        GLU   8 -11.879  -4.174  -1.715
   63    HA   GLU   8           HA       GLU   8  -9.302  -3.697  -2.830
   64   1HB   GLU   8          1HB       GLU   8 -11.377  -2.460  -3.437
   65   2HB   GLU   8          2HB       GLU   8 -11.396  -1.746  -1.833
   66   1HG   GLU   8          1HG       GLU   8 -10.508  -0.109  -3.204
   67   2HG   GLU   8          2HG       GLU   8  -9.105  -0.806  -2.397
   68    H    VAL   9           H        VAL   9 -10.818  -3.059   0.305
   69    HA   VAL   9           HA       VAL   9  -8.675  -1.581   1.413
   70    HB   VAL   9           HB       VAL   9 -10.875  -3.172   2.761
   71   1HG1  VAL   9          1HG1      VAL   9  -8.583  -2.646   4.016
   72   2HG1  VAL   9          2HG1      VAL   9  -9.368  -1.082   4.234
   73   3HG1  VAL   9          3HG1      VAL   9 -10.144  -2.549   4.830
   74   1HG2  VAL   9          1HG2      VAL   9 -10.489  -0.209   2.326
   75   2HG2  VAL   9          2HG2      VAL   9 -11.677  -1.242   1.529
   76   3HG2  VAL   9          3HG2      VAL   9 -11.792  -0.942   3.261
   77    H    ALA  10           H        ALA  10  -9.571  -5.001   1.552
   78    HA   ALA  10           HA       ALA  10  -7.369  -5.814   3.142
   79   1HB   ALA  10          1HB       ALA  10  -9.623  -7.041   2.499
   80   2HB   ALA  10          2HB       ALA  10  -8.611  -7.715   1.224
   81   3HB   ALA  10          3HB       ALA  10  -8.167  -7.946   2.916
   82    H    GLN  11           H        GLN  11  -7.775  -5.117  -0.205
   83    HA   GLN  11           HA       GLN  11  -5.542  -6.559  -1.233
   84   1HB   GLN  11          1HB       GLN  11  -7.482  -5.663  -2.599
   85   2HB   GLN  11          2HB       GLN  11  -6.824  -4.055  -2.352
   86   1HG   GLN  11          1HG       GLN  11  -6.131  -4.783  -4.493
   87   2HG   GLN  11          2HG       GLN  11  -4.721  -4.808  -3.436
   88   1HE2  GLN  11          1HE2      GLN  11  -4.012  -8.109  -4.089
   89   2HE2  GLN  11          2HE2      GLN  11  -3.514  -6.548  -3.534
   90    H    ALA  12           H        ALA  12  -6.142  -3.169  -0.463
   91    HA   ALA  12           HA       ALA  12  -3.500  -2.296  -0.908
   92   1HB   ALA  12          1HB       ALA  12  -5.845  -1.082   0.493
   93   2HB   ALA  12          2HB       ALA  12  -4.280  -0.271   0.419
   94   3HB   ALA  12          3HB       ALA  12  -5.147  -0.658  -1.069
   95    H    GLU  13           H        GLU  13  -5.237  -3.148   2.076
   96    HA   GLU  13           HA       GLU  13  -3.226  -2.446   3.863
   97   1HB   GLU  13          1HB       GLU  13  -5.483  -4.404   3.971
   98   2HB   GLU  13          2HB       GLU  13  -4.314  -4.342   5.285
   99   1HG   GLU  13          1HG       GLU  13  -4.808  -1.807   5.294
  100   2HG   GLU  13          2HG       GLU  13  -6.246  -2.250   4.380
  101    H    ALA  14           H        ALA  14  -3.671  -5.471   2.062
  102    HA   ALA  14           HA       ALA  14  -1.594  -6.901   3.357
  103   1HB   ALA  14          1HB       ALA  14  -3.475  -7.469   1.397
  104   2HB   ALA  14          2HB       ALA  14  -1.932  -7.614   0.558
  105   3HB   ALA  14          3HB       ALA  14  -2.239  -8.569   2.009
  106    H    GLU  15           H        GLU  15  -1.663  -5.101   0.279
  107    HA   GLU  15           HA       GLU  15   1.028  -5.342  -0.403
  108   1HB   GLU  15          1HB       GLU  15  -1.183  -4.143  -1.486
  109   2HB   GLU  15          2HB       GLU  15  -0.238  -2.746  -0.989
  110   1HG   GLU  15          1HG       GLU  15   1.688  -3.711  -2.253
  111   2HG   GLU  15          2HG       GLU  15   0.573  -4.938  -2.857
  112    H    ASN  16           H        ASN  16  -0.668  -2.818   1.372
  113    HA   ASN  16           HA       ASN  16   1.350  -1.036   1.949
  114   1HB   ASN  16          1HB       ASN  16  -1.117  -0.847   2.428
  115   2HB   ASN  16          2HB       ASN  16  -0.874  -1.887   3.819
  116   1HD2  ASN  16          1HD2      ASN  16  -0.528   1.995   4.220
  117   2HD2  ASN  16          2HD2      ASN  16  -1.306   1.169   2.910
  118    H    TYR  17           H        TYR  17   0.331  -3.830   3.893
  119    HA   TYR  17           HA       TYR  17   2.218  -3.510   5.946
  120   1HB   TYR  17          1HB       TYR  17   0.115  -5.052   5.800
  121   2HB   TYR  17          2HB       TYR  17   1.229  -6.218   5.096
  122    HD1  TYR  17           HD1      TYR  17   3.111  -4.307   7.290
  123    HD2  TYR  17           HD2      TYR  17   0.142  -7.349   7.286
  124    HE1  TYR  17           HE1      TYR  17   3.812  -4.975   9.547
  125    HE2  TYR  17           HE2      TYR  17   0.832  -8.026   9.550
  126    HH   TYR  17           HH       TYR  17   2.830  -6.122  11.511
  127    H    GLN  18           H        GLN  18   2.386  -5.158   2.835
  128    HA   GLN  18           HA       GLN  18   4.901  -6.416   3.342
  129   1HB   GLN  18          1HB       GLN  18   3.455  -5.824   0.757
  130   2HB   GLN  18          2HB       GLN  18   4.930  -6.775   0.867
  131   1HG   GLN  18          1HG       GLN  18   3.821  -8.431   2.211
  132   2HG   GLN  18          2HG       GLN  18   2.356  -7.455   2.263
  133   1HE2  GLN  18          1HE2      GLN  18   1.063  -9.016  -0.514
  134   2HE2  GLN  18          2HE2      GLN  18   0.847  -8.263   1.028
  135    H    LEU  19           H        LEU  19   3.897  -3.340   2.003
  136    HA   LEU  19           HA       LEU  19   6.380  -2.558   0.893
  137   1HB   LEU  19          1HB       LEU  19   4.272  -0.749   2.058
  138   2HB   LEU  19          2HB       LEU  19   5.492  -0.318   0.880
  139    HG   LEU  19           HG       LEU  19   3.082  -2.068   0.460
  140   1HD1  LEU  19          1HD1      LEU  19   3.969   0.609  -0.548
  141   2HD1  LEU  19          2HD1      LEU  19   2.722  -0.340  -1.357
  142   3HD1  LEU  19          3HD1      LEU  19   2.485   0.189   0.309
  143   1HD2  LEU  19          1HD2      LEU  19   5.309  -2.806  -0.667
  144   2HD2  LEU  19          2HD2      LEU  19   3.824  -2.716  -1.617
  145   3HD2  LEU  19          3HD2      LEU  19   5.013  -1.417  -1.714
  146    H    GLU  20           H        GLU  20   4.884  -1.744   4.028
  147    HA   GLU  20           HA       GLU  20   7.124  -0.331   4.987
  148   1HB   GLU  20          1HB       GLU  20   4.950  -1.740   6.546
  149   2HB   GLU  20          2HB       GLU  20   6.095  -0.590   7.222
  150   1HG   GLU  20          1HG       GLU  20   4.110   0.041   5.046
  151   2HG   GLU  20          2HG       GLU  20   3.869   0.378   6.756
  152    H    GLN  21           H        GLN  21   6.405  -3.740   4.845
  153    HA   GLN  21           HA       GLN  21   8.398  -4.561   6.732
  154   1HB   GLN  21          1HB       GLN  21   6.841  -6.013   4.605
  155   2HB   GLN  21          2HB       GLN  21   8.167  -6.807   5.448
  156   1HG   GLN  21          1HG       GLN  21   7.032  -6.358   7.587
  157   2HG   GLN  21          2HG       GLN  21   5.685  -5.648   6.699
  158   1HE2  GLN  21          1HE2      GLN  21   4.105  -8.687   6.385
  159   2HE2  GLN  21          2HE2      GLN  21   4.042  -6.961   6.519
  160    H    GLU  22           H        GLU  22   8.227  -4.116   3.251
  161    HA   GLU  22           HA       GLU  22  10.817  -5.039   2.581
  162   1HB   GLU  22          1HB       GLU  22   9.119  -4.705   0.865
  163   2HB   GLU  22          2HB       GLU  22   8.989  -3.001   1.274
  164   1HG   GLU  22          1HG       GLU  22  10.264  -2.896  -0.608
  165   2HG   GLU  22          2HG       GLU  22  11.514  -2.951   0.631
  166    H    VAL  23           H        VAL  23   9.454  -1.965   3.540
  167    HA   VAL  23           HA       VAL  23  11.694  -0.315   3.261
  168    HB   VAL  23           HB       VAL  23   9.347  -0.187   5.152
  169   1HG1  VAL  23          1HG1      VAL  23  11.476   1.002   5.933
  170   2HG1  VAL  23          2HG1      VAL  23  11.171   2.120   4.603
  171   3HG1  VAL  23          3HG1      VAL  23   9.977   1.929   5.888
  172   1HG2  VAL  23          1HG2      VAL  23   9.750   0.478   2.385
  173   2HG2  VAL  23          2HG2      VAL  23   8.265   0.519   3.337
  174   3HG2  VAL  23          3HG2      VAL  23   9.328   1.925   3.301
  175    H    ALA  24           H        ALA  24  10.490  -2.135   6.079
  176    HA   ALA  24           HA       ALA  24  12.542  -1.426   7.850
  177   1HB   ALA  24          1HB       ALA  24  10.372  -3.346   7.784
  178   2HB   ALA  24          2HB       ALA  24  11.811  -4.008   8.563
  179   3HB   ALA  24          3HB       ALA  24  11.097  -2.510   9.159
  180    H    GLN  25           H        GLN  25  12.203  -4.087   5.569
  181    HA   GLN  25           HA       GLN  25  14.535  -5.507   6.188
  182   1HB   GLN  25          1HB       GLN  25  12.781  -6.448   4.796
  183   2HB   GLN  25          2HB       GLN  25  13.039  -5.212   3.576
  184   1HG   GLN  25          1HG       GLN  25  15.302  -6.112   3.195
  185   2HG   GLN  25          2HG       GLN  25  14.958  -7.395   4.354
  186   1HE2  GLN  25          1HE2      GLN  25  13.925  -7.849   0.565
  187   2HE2  GLN  25          2HE2      GLN  25  15.047  -6.675   1.162
  188    H    LEU  26           H        LEU  26  13.969  -3.018   3.685
  189    HA   LEU  26           HA       LEU  26  16.594  -2.955   2.718
  190   1HB   LEU  26          1HB       LEU  26  14.554  -0.730   2.750
  191   2HB   LEU  26          2HB       LEU  26  16.029  -0.738   1.799
  192    HG   LEU  26           HG       LEU  26  13.687  -2.621   1.485
  193   1HD1  LEU  26          1HD1      LEU  26  13.687  -0.160   0.604
  194   2HD1  LEU  26          2HD1      LEU  26  14.754  -0.821  -0.638
  195   3HD1  LEU  26          3HD1      LEU  26  13.133  -1.478  -0.429
  196   1HD2  LEU  26          1HD2      LEU  26  16.428  -3.021   0.838
  197   2HD2  LEU  26          2HD2      LEU  26  15.044  -4.056   0.480
  198   3HD2  LEU  26          3HD2      LEU  26  15.524  -2.801  -0.661
  199    H    GLU  27           H        GLU  27  15.058  -0.932   5.227
  200    HA   GLU  27           HA       GLU  27  17.327   0.658   5.735
  201   1HB   GLU  27          1HB       GLU  27  14.975  -0.099   7.458
  202   2HB   GLU  27          2HB       GLU  27  16.230   1.004   8.003
  203   1HG   GLU  27          1HG       GLU  27  14.642   1.448   5.489
  204   2HG   GLU  27          2HG       GLU  27  14.135   2.042   7.068
  205    H    HIS  28           H        HIS  28  16.211  -2.365   7.186
  206    HA   HIS  28           HA       HIS  28  18.193  -2.604   9.164
  207   1HB   HIS  28          1HB       HIS  28  16.206  -3.936   9.297
  208   2HB   HIS  28          2HB       HIS  28  16.501  -4.648   7.719
  209    HD1  HIS  28           HD1      HIS  28  18.523  -4.542  10.986
  210    HD2  HIS  28           HD2      HIS  28  17.236  -7.174   8.034
  211    HE1  HIS  28           HE1      HIS  28  19.463  -6.810  11.596
  212    H    GLU  29           H        GLU  29  18.053  -3.863   5.842
  213    HA   GLU  29           HA       GLU  29  20.584  -5.158   5.981
  214   1HB   GLU  29          1HB       GLU  29  18.856  -4.348   3.644
  215   2HB   GLU  29          2HB       GLU  29  20.347  -5.264   3.475
  216   1HG   GLU  29          1HG       GLU  29  17.945  -6.141   5.061
  217   2HG   GLU  29          2HG       GLU  29  18.342  -6.678   3.430
  218    H    CYS  30           H        CYS  30  19.556  -1.948   5.194
  219    HA   CYS  30           HA       CYS  30  22.005  -1.190   3.899
  220   1HB   CYS  30          1HB       CYS  30  19.962  -0.024   3.320
  221   2HB   CYS  30          2HB       CYS  30  19.713   0.453   4.994
  222    H    GLY  31           H        GLY  31  20.542  -0.521   7.084
  223   1HA   GLY  31          1HA       GLY  31  22.995  -0.717   8.461
  224   2HA   GLY  31          2HA       GLY  31  22.651   0.978   8.149
  225   1HN   NH2  32          1HN       NH2  32  20.722  -1.837   9.110
  226   2HN   NH2  32          2HN       NH2  32  19.973  -1.076  10.477
  227   1H    ACE   0          1H        ACE   0 -18.667  -0.315   8.911
  228   2H    ACE   0          2H        ACE   0 -17.278  -0.356   7.819
  229   3H    ACE   0          3H        ACE   0 -18.278  -1.796   8.029
  230    H    GLU   1           H        GLU   1 -18.950   1.649   7.359
  231    HA   GLU   1           HA       GLU   1 -20.959   0.848   5.433
  232   1HB   GLU   1          1HB       GLU   1 -21.316   3.354   5.224
  233   2HB   GLU   1          2HB       GLU   1 -21.686   2.631   6.783
  234   1HG   GLU   1          1HG       GLU   1 -19.485   3.391   7.600
  235   2HG   GLU   1          2HG       GLU   1 -19.217   4.189   6.051
  236    H    VAL   2           H        VAL   2 -21.060   1.929   3.309
  237    HA   VAL   2           HA       VAL   2 -18.862   1.297   1.737
  238    HB   VAL   2           HB       VAL   2 -21.175   3.157   1.162
  239   1HG1  VAL   2          1HG1      VAL   2 -18.777   2.569  -0.443
  240   2HG1  VAL   2          2HG1      VAL   2 -20.315   2.427  -1.293
  241   3HG1  VAL   2          3HG1      VAL   2 -19.876   3.945  -0.508
  242   1HG2  VAL   2          1HG2      VAL   2 -21.090   0.418   1.395
  243   2HG2  VAL   2          2HG2      VAL   2 -22.314   1.340   0.520
  244   3HG2  VAL   2          3HG2      VAL   2 -20.929   0.669  -0.343
  245    H    GLN   3           H        GLN   3 -19.941   4.545   2.770
  246    HA   GLN   3           HA       GLN   3 -17.801   5.954   1.619
  247   1HB   GLN   3          1HB       GLN   3 -19.901   6.989   2.474
  248   2HB   GLN   3          2HB       GLN   3 -19.343   6.693   4.115
  249   1HG   GLN   3          1HG       GLN   3 -17.401   8.134   3.703
  250   2HG   GLN   3          2HG       GLN   3 -17.997   8.448   2.074
  251   1HE2  GLN   3          1HE2      GLN   3 -19.159  10.780   5.016
  252   2HE2  GLN   3          2HE2      GLN   3 -17.781   9.738   5.030
  253    H    ALA   4           H        ALA   4 -18.108   4.237   4.647
  254    HA   ALA   4           HA       ALA   4 -15.835   5.269   5.958
  255   1HB   ALA   4          1HB       ALA   4 -17.181   2.587   6.215
  256   2HB   ALA   4          2HB       ALA   4 -15.959   3.206   7.325
  257   3HB   ALA   4          3HB       ALA   4 -17.511   4.030   7.172
  258    H    LEU   5           H        LEU   5 -16.300   2.400   3.941
  259    HA   LEU   5           HA       LEU   5 -13.593   1.558   4.092
  260   1HB   LEU   5          1HB       LEU   5 -15.765   0.860   2.126
  261   2HB   LEU   5          2HB       LEU   5 -14.206   0.064   2.205
  262    HG   LEU   5           HG       LEU   5 -16.310   0.056   4.370
  263   1HD1  LEU   5          1HD1      LEU   5 -15.868  -1.592   2.080
  264   2HD1  LEU   5          2HD1      LEU   5 -15.607  -2.528   3.552
  265   3HD1  LEU   5          3HD1      LEU   5 -17.138  -1.691   3.300
  266   1HD2  LEU   5          1HD2      LEU   5 -13.594  -1.252   4.290
  267   2HD2  LEU   5          2HD2      LEU   5 -14.084   0.077   5.338
  268   3HD2  LEU   5          3HD2      LEU   5 -14.823  -1.512   5.529
  269    H    LYS   6           H        LYS   6 -15.380   3.581   1.807
  270    HA   LYS   6           HA       LYS   6 -13.417   3.657  -0.196
  271   1HB   LYS   6          1HB       LYS   6 -15.437   5.750   0.613
  272   2HB   LYS   6          2HB       LYS   6 -14.471   5.818  -0.857
  273   1HG   LYS   6          1HG       LYS   6 -15.454   3.700  -1.589
  274   2HG   LYS   6          2HG       LYS   6 -16.445   3.666  -0.133
  275   1HD   LYS   6          1HD       LYS   6 -17.746   4.485  -1.987
  276   2HD   LYS   6          2HD       LYS   6 -17.485   5.785  -0.822
  277   1HE   LYS   6          1HE       LYS   6 -15.929   6.861  -2.182
  278   2HE   LYS   6          2HE       LYS   6 -15.664   5.420  -3.172
  279   1HZ   LYS   6          1HZ       LYS   6 -18.361   6.060  -3.369
  280   2HZ   LYS   6          2HZ       LYS   6 -17.511   7.513  -3.578
  281   3HZ   LYS   6          3HZ       LYS   6 -17.173   6.185  -4.572
  282    H    LYS   7           H        LYS   7 -13.865   5.636   2.697
  283    HA   LYS   7           HA       LYS   7 -11.665   7.362   2.191
  284   1HB   LYS   7          1HB       LYS   7 -13.424   6.768   4.507
  285   2HB   LYS   7          2HB       LYS   7 -11.878   7.522   4.855
  286   1HG   LYS   7          1HG       LYS   7 -13.784   9.104   4.595
  287   2HG   LYS   7          2HG       LYS   7 -12.415   9.427   3.534
  288   1HD   LYS   7          1HD       LYS   7 -14.536   7.691   2.422
  289   2HD   LYS   7          2HD       LYS   7 -14.980   9.378   2.704
  290   1HE   LYS   7          1HE       LYS   7 -12.610   8.422   1.097
  291   2HE   LYS   7          2HE       LYS   7 -14.136   8.997   0.430
  292   1HZ   LYS   7          1HZ       LYS   7 -12.851  10.827   2.276
  293   2HZ   LYS   7          2HZ       LYS   7 -11.987  10.541   0.845
  294   3HZ   LYS   7          3HZ       LYS   7 -13.578  11.125   0.771
  295    H    ARG   8           H        ARG   8 -12.016   4.212   3.589
  296    HA   ARG   8           HA       ARG   8  -9.472   4.023   4.858
  297   1HB   ARG   8          1HB       ARG   8 -11.349   2.512   5.397
  298   2HB   ARG   8          2HB       ARG   8 -11.300   1.866   3.764
  299   1HG   ARG   8          1HG       ARG   8 -10.218   0.273   5.068
  300   2HG   ARG   8          2HG       ARG   8  -8.911   1.167   4.290
  301   1HD   ARG   8          1HD       ARG   8  -8.409   2.348   6.262
  302   2HD   ARG   8          2HD       ARG   8  -9.927   1.871   7.021
  303    HE   ARG   8           HE       ARG   8  -8.446  -0.441   6.449
  304   1HH1  ARG   8          1HH1      ARG   8  -8.206   2.371   8.550
  305   2HH1  ARG   8          2HH1      ARG   8  -7.462   1.475   9.837
  306   1HH2  ARG   8          1HH2      ARG   8  -7.426  -1.571   8.122
  307   2HH2  ARG   8          2HH2      ARG   8  -7.020  -0.750   9.606
  308    H    VAL   9           H        VAL   9 -10.781   3.025   1.725
  309    HA   VAL   9           HA       VAL   9  -8.468   1.900   0.622
  310    HB   VAL   9           HB       VAL   9 -10.774   3.304  -0.742
  311   1HG1  VAL   9          1HG1      VAL   9  -8.787   3.231  -2.191
  312   2HG1  VAL   9          2HG1      VAL   9  -8.705   1.483  -1.970
  313   3HG1  VAL   9          3HG1      VAL   9 -10.089   2.202  -2.790
  314   1HG2  VAL   9          1HG2      VAL   9 -10.267   0.516   0.160
  315   2HG2  VAL   9          2HG2      VAL   9 -11.747   1.473   0.232
  316   3HG2  VAL   9          3HG2      VAL   9 -11.218   0.775  -1.300
  317    H    GLN  10           H        GLN  10  -9.756   5.209   0.367
  318    HA   GLN  10           HA       GLN  10  -7.757   6.275  -1.267
  319   1HB   GLN  10          1HB       GLN  10  -9.440   7.625   0.849
  320   2HB   GLN  10          2HB       GLN  10  -8.447   8.483  -0.320
  321   1HG   GLN  10          1HG       GLN  10 -10.699   6.624  -1.039
  322   2HG   GLN  10          2HG       GLN  10 -10.848   8.373  -0.910
  323   1HE2  GLN  10          1HE2      GLN  10  -9.861   8.905  -4.155
  324   2HE2  GLN  10          2HE2      GLN  10 -10.699   9.422  -2.736
  325    H    ALA  11           H        ALA  11  -7.941   6.024   2.253
  326    HA   ALA  11           HA       ALA  11  -5.558   7.454   2.796
  327   1HB   ALA  11          1HB       ALA  11  -7.287   5.569   4.347
  328   2HB   ALA  11          2HB       ALA  11  -5.727   6.070   4.998
  329   3HB   ALA  11          3HB       ALA  11  -6.958   7.278   4.633
  330    H    LEU  12           H        LEU  12  -6.298   4.023   2.404
  331    HA   LEU  12           HA       LEU  12  -3.744   3.014   2.982
  332   1HB   LEU  12          1HB       LEU  12  -6.054   1.967   1.387
  333   2HB   LEU  12          2HB       LEU  12  -4.551   1.074   1.493
  334    HG   LEU  12           HG       LEU  12  -6.094   1.919   3.937
  335   1HD1  LEU  12          1HD1      LEU  12  -6.821  -0.029   1.980
  336   2HD1  LEU  12          2HD1      LEU  12  -6.365  -0.850   3.472
  337   3HD1  LEU  12          3HD1      LEU  12  -7.628   0.382   3.492
  338   1HD2  LEU  12          1HD2      LEU  12  -3.547   1.039   3.702
  339   2HD2  LEU  12          2HD2      LEU  12  -4.567   0.742   5.111
  340   3HD2  LEU  12          3HD2      LEU  12  -4.408  -0.492   3.861
  341    H    LYS  13           H        LYS  13  -5.264   3.634  -0.194
  342    HA   LYS  13           HA       LYS  13  -3.057   2.976  -1.769
  343   1HB   LYS  13          1HB       LYS  13  -5.495   4.630  -2.136
  344   2HB   LYS  13          2HB       LYS  13  -4.195   4.880  -3.288
  345   1HG   LYS  13          1HG       LYS  13  -5.937   3.245  -4.007
  346   2HG   LYS  13          2HG       LYS  13  -4.289   2.619  -4.023
  347   1HD   LYS  13          1HD       LYS  13  -4.660   1.397  -2.003
  348   2HD   LYS  13          2HD       LYS  13  -6.218   2.186  -1.748
  349   1HE   LYS  13          1HE       LYS  13  -6.408  -0.132  -2.610
  350   2HE   LYS  13          2HE       LYS  13  -7.157   1.071  -3.655
  351   1HZ   LYS  13          1HZ       LYS  13  -4.442   0.628  -4.379
  352   2HZ   LYS  13          2HZ       LYS  13  -5.304  -0.827  -4.388
  353   3HZ   LYS  13          3HZ       LYS  13  -5.843   0.483  -5.321
  354    H    ALA  14           H        ALA  14  -3.845   5.994  -0.118
  355    HA   ALA  14           HA       ALA  14  -1.812   7.567  -1.319
  356   1HB   ALA  14          1HB       ALA  14  -3.652   7.836   0.948
  357   2HB   ALA  14          2HB       ALA  14  -2.128   8.702   1.136
  358   3HB   ALA  14          3HB       ALA  14  -3.158   9.023  -0.260
  359    H    ARG  15           H        ARG  15  -1.917   5.538   1.572
  360    HA   ARG  15           HA       ARG  15   0.753   6.157   2.416
  361   1HB   ARG  15          1HB       ARG  15  -0.955   5.355   3.999
  362   2HB   ARG  15          2HB       ARG  15  -1.039   3.824   3.138
  363   1HG   ARG  15          1HG       ARG  15   0.293   3.379   4.995
  364   2HG   ARG  15          2HG       ARG  15   1.445   3.585   3.676
  365   1HD   ARG  15          1HD       ARG  15   1.747   5.943   4.392
  366   2HD   ARG  15          2HD       ARG  15   0.706   5.612   5.777
  367    HE   ARG  15           HE       ARG  15   2.918   3.789   5.561
  368   1HH1  ARG  15          1HH1      ARG  15   1.830   6.868   6.814
  369   2HH1  ARG  15          2HH1      ARG  15   3.122   6.999   7.978
  370   1HH2  ARG  15          1HH2      ARG  15   4.623   3.947   7.059
  371   2HH2  ARG  15          2HH2      ARG  15   4.738   5.346   8.094
  372    H    ASN  16           H        ASN  16  -0.801   3.618   0.565
  373    HA   ASN  16           HA       ASN  16   1.348   1.860   0.256
  374   1HB   ASN  16          1HB       ASN  16  -1.186   2.417  -1.229
  375   2HB   ASN  16          2HB       ASN  16   0.010   1.386  -1.988
  376   1HD2  ASN  16          1HD2      ASN  16  -1.165  -1.380  -0.301
  377   2HD2  ASN  16          2HD2      ASN  16  -0.528  -0.670  -1.741
  378    H    TYR  17           H        TYR  17   0.212   4.517  -1.784
  379    HA   TYR  17           HA       TYR  17   2.143   4.321  -3.799
  380   1HB   TYR  17          1HB       TYR  17  -0.016   5.779  -3.609
  381   2HB   TYR  17          2HB       TYR  17   1.053   6.959  -2.863
  382    HD1  TYR  17           HD1      TYR  17   2.931   5.152  -5.221
  383    HD2  TYR  17           HD2      TYR  17  -0.019   8.203  -4.932
  384    HE1  TYR  17           HE1      TYR  17   3.568   5.974  -7.449
  385    HE2  TYR  17           HE2      TYR  17   0.607   9.028  -7.158
  386    HH   TYR  17           HH       TYR  17   3.375   7.712  -8.897
  387    H    ALA  18           H        ALA  18   2.119   6.112  -0.751
  388    HA   ALA  18           HA       ALA  18   4.604   7.416  -1.092
  389   1HB   ALA  18          1HB       ALA  18   2.603   7.719   0.652
  390   2HB   ALA  18          2HB       ALA  18   3.705   6.772   1.653
  391   3HB   ALA  18          3HB       ALA  18   4.237   8.304   0.960
  392    H    ALA  19           H        ALA  19   3.708   4.444   0.658
  393    HA   ALA  19           HA       ALA  19   6.247   3.843   1.674
  394   1HB   ALA  19          1HB       ALA  19   3.680   2.557   1.494
  395   2HB   ALA  19          2HB       ALA  19   4.980   1.398   1.219
  396   3HB   ALA  19          3HB       ALA  19   4.954   2.359   2.698
  397    H    LYS  20           H        LYS  20   4.806   3.197  -1.472
  398    HA   LYS  20           HA       LYS  20   6.816   1.374  -2.320
  399   1HB   LYS  20          1HB       LYS  20   4.883   3.078  -3.902
  400   2HB   LYS  20          2HB       LYS  20   5.974   1.904  -4.632
  401   1HG   LYS  20          1HG       LYS  20   4.945   0.118  -3.337
  402   2HG   LYS  20          2HG       LYS  20   3.866   1.285  -2.577
  403   1HD   LYS  20          1HD       LYS  20   2.944   1.821  -4.814
  404   2HD   LYS  20          2HD       LYS  20   3.956   0.544  -5.498
  405   1HE   LYS  20          1HE       LYS  20   2.859  -1.084  -4.011
  406   2HE   LYS  20          2HE       LYS  20   1.823   0.201  -3.396
  407   1HZ   LYS  20          1HZ       LYS  20   1.853  -0.201  -6.289
  408   2HZ   LYS  20          2HZ       LYS  20   1.096  -1.399  -5.352
  409   3HZ   LYS  20          3HZ       LYS  20   0.568   0.209  -5.257
  410    H    GLN  21           H        GLN  21   6.581   4.839  -2.173
  411    HA   GLN  21           HA       GLN  21   8.852   5.336  -3.879
  412   1HB   GLN  21          1HB       GLN  21   7.706   7.182  -1.769
  413   2HB   GLN  21          2HB       GLN  21   8.713   7.631  -3.137
  414   1HG   GLN  21          1HG       GLN  21   5.851   6.737  -3.157
  415   2HG   GLN  21          2HG       GLN  21   6.512   8.287  -3.665
  416   1HE2  GLN  21          1HE2      GLN  21   5.960   5.433  -6.339
  417   2HE2  GLN  21          2HE2      GLN  21   5.245   5.506  -4.759
  418    H    LYS  22           H        LYS  22   8.183   4.757  -0.517
  419    HA   LYS  22           HA       LYS  22  10.697   5.448   0.576
  420   1HB   LYS  22          1HB       LYS  22   8.624   3.414   1.446
  421   2HB   LYS  22          2HB       LYS  22  10.048   3.796   2.391
  422   1HG   LYS  22          1HG       LYS  22   8.660   6.210   1.735
  423   2HG   LYS  22          2HG       LYS  22   7.546   5.049   2.458
  424   1HD   LYS  22          1HD       LYS  22  10.181   5.944   3.620
  425   2HD   LYS  22          2HD       LYS  22   8.585   6.461   4.161
  426   1HE   LYS  22          1HE       LYS  22   9.509   3.595   4.168
  427   2HE   LYS  22          2HE       LYS  22   9.666   4.672   5.552
  428   1HZ   LYS  22          1HZ       LYS  22   6.997   4.533   4.427
  429   2HZ   LYS  22          2HZ       LYS  22   7.550   3.079   5.107
  430   3HZ   LYS  22          3HZ       LYS  22   7.505   4.490   6.043
  431    H    VAL  23           H        VAL  23   9.349   2.457  -0.717
  432    HA   VAL  23           HA       VAL  23  11.492   0.739  -0.271
  433    HB   VAL  23           HB       VAL  23   9.634   0.739  -2.665
  434   1HG1  VAL  23          1HG1      VAL  23  11.730  -0.679  -2.775
  435   2HG1  VAL  23          2HG1      VAL  23  11.038  -1.628  -1.460
  436   3HG1  VAL  23          3HG1      VAL  23  10.197  -1.520  -3.007
  437   1HG2  VAL  23          1HG2      VAL  23   8.933   0.476   0.006
  438   2HG2  VAL  23          2HG2      VAL  23   7.976  -0.031  -1.385
  439   3HG2  VAL  23          3HG2      VAL  23   9.036  -1.186  -0.577
  440    H    GLN  24           H        GLN  24  10.755   2.733  -3.112
  441    HA   GLN  24           HA       GLN  24  13.038   2.094  -4.617
  442   1HB   GLN  24          1HB       GLN  24  11.412   4.640  -4.628
  443   2HB   GLN  24          2HB       GLN  24  12.518   4.126  -5.894
  444   1HG   GLN  24          1HG       GLN  24  11.117   2.294  -6.477
  445   2HG   GLN  24          2HG       GLN  24  10.097   2.547  -5.061
  446   1HE2  GLN  24          1HE2      GLN  24   9.491   5.861  -7.090
  447   2HE2  GLN  24          2HE2      GLN  24  10.814   5.551  -6.024
  448    H    ALA  25           H        ALA  25  12.426   4.659  -2.278
  449    HA   ALA  25           HA       ALA  25  14.840   6.072  -2.672
  450   1HB   ALA  25          1HB       ALA  25  12.800   5.989  -0.491
  451   2HB   ALA  25          2HB       ALA  25  14.318   6.852  -0.242
  452   3HB   ALA  25          3HB       ALA  25  13.246   7.317  -1.562
  453    H    LEU  26           H        LEU  26  13.910   3.528  -0.405
  454    HA   LEU  26           HA       LEU  26  16.373   3.487   1.002
  455   1HB   LEU  26          1HB       LEU  26  14.349   1.278   0.670
  456   2HB   LEU  26          2HB       LEU  26  15.615   1.343   1.881
  457    HG   LEU  26           HG       LEU  26  13.312   3.275   1.668
  458   1HD1  LEU  26          1HD1      LEU  26  12.853   0.877   2.392
  459   2HD1  LEU  26          2HD1      LEU  26  13.797   1.263   3.830
  460   3HD1  LEU  26          3HD1      LEU  26  12.329   2.170   3.470
  461   1HD2  LEU  26          1HD2      LEU  26  15.828   3.531   2.910
  462   2HD2  LEU  26          2HD2      LEU  26  14.426   4.592   3.057
  463   3HD2  LEU  26          3HD2      LEU  26  14.642   3.253   4.185
  464    H    ARG  27           H        ARG  27  15.156   1.668  -1.789
  465    HA   ARG  27           HA       ARG  27  17.409  -0.049  -1.965
  466   1HB   ARG  27          1HB       ARG  27  15.131   0.658  -3.743
  467   2HB   ARG  27          2HB       ARG  27  16.526  -0.134  -4.466
  468   1HG   ARG  27          1HG       ARG  27  16.213  -2.078  -3.289
  469   2HG   ARG  27          2HG       ARG  27  15.334  -1.274  -1.989
  470   1HD   ARG  27          1HD       ARG  27  13.400  -1.011  -3.405
  471   2HD   ARG  27          2HD       ARG  27  14.279  -1.670  -4.780
  472    HE   ARG  27           HE       ARG  27  13.049  -3.137  -2.634
  473   1HH1  ARG  27          1HH1      ARG  27  15.433  -3.255  -5.210
  474   2HH1  ARG  27          2HH1      ARG  27  15.595  -4.989  -5.145
  475   1HH2  ARG  27          1HH2      ARG  27  13.250  -5.380  -2.549
  476   2HH2  ARG  27          2HH2      ARG  27  14.318  -6.202  -3.659
  477    H    HIS  28           H        HIS  28  16.765   3.173  -2.915
  478    HA   HIS  28           HA       HIS  28  18.915   3.452  -4.799
  479   1HB   HIS  28          1HB       HIS  28  16.842   4.865  -4.755
  480   2HB   HIS  28          2HB       HIS  28  17.406   5.556  -3.241
  481    HD1  HIS  28           HD1      HIS  28  16.953   7.655  -5.197
  482    HD2  HIS  28           HD2      HIS  28  20.498   5.472  -5.209
  483    HE1  HIS  28           HE1      HIS  28  18.649   9.054  -6.449
  484    H    LYS  29           H        LYS  29  18.316   4.203  -1.421
  485    HA   LYS  29           HA       LYS  29  20.749   5.465  -0.795
  486   1HB   LYS  29          1HB       LYS  29  18.746   5.556   0.636
  487   2HB   LYS  29          2HB       LYS  29  18.895   3.835   0.960
  488   1HG   LYS  29          1HG       LYS  29  21.163   4.363   1.964
  489   2HG   LYS  29          2HG       LYS  29  20.686   6.062   1.882
  490   1HD   LYS  29          1HD       LYS  29  19.262   3.856   3.377
  491   2HD   LYS  29          2HD       LYS  29  20.196   5.174   4.085
  492   1HE   LYS  29          1HE       LYS  29  18.595   6.789   3.168
  493   2HE   LYS  29          2HE       LYS  29  17.666   5.468   2.470
  494   1HZ   LYS  29          1HZ       LYS  29  17.484   4.620   4.847
  495   2HZ   LYS  29          2HZ       LYS  29  18.012   6.159   5.318
  496   3HZ   LYS  29          3HZ       LYS  29  16.576   5.992   4.442
  497    H    CYS  30           H        CYS  30  19.684   2.116  -0.444
  498    HA   CYS  30           HA       CYS  30  22.484   1.256  -0.556
  499   1HB   CYS  30          1HB       CYS  30  20.469   0.505   1.552
  500   2HB   CYS  30          2HB       CYS  30  21.832  -0.542   1.173
  501    H    GLY  31           H        GLY  31  19.540  -0.617   0.074
  502   1HA   GLY  31          1HA       GLY  31  18.323  -1.683  -1.762
  503   2HA   GLY  31          2HA       GLY  31  19.865  -1.841  -2.597
  504   1HN   NH2  32          1HN       NH2  32  21.181  -3.531  -2.141
  505   2HN   NH2  32          2HN       NH2  32  20.803  -4.786  -1.009
  Start of MODEL   25
    1   1H    ACE   0          1H        ACE   0 -19.214   1.344  -5.927
    2   2H    ACE   0          2H        ACE   0 -19.144  -0.229  -6.724
    3   3H    ACE   0          3H        ACE   0 -17.799   0.310  -5.713
    4    H    GLU   1           H        GLU   1 -19.521  -2.091  -5.543
    5    HA   GLU   1           HA       GLU   1 -21.260  -1.850  -3.313
    6   1HB   GLU   1          1HB       GLU   1 -21.508  -3.632  -4.955
    7   2HB   GLU   1          2HB       GLU   1 -19.923  -4.267  -4.541
    8   1HG   GLU   1          1HG       GLU   1 -21.589  -5.637  -3.522
    9   2HG   GLU   1          2HG       GLU   1 -20.748  -4.733  -2.262
   10    H    VAL   2           H        VAL   2 -20.964  -2.741  -1.206
   11    HA   VAL   2           HA       VAL   2 -18.660  -1.957   0.139
   12    HB   VAL   2           HB       VAL   2 -20.591  -4.111   1.013
   13   1HG1  VAL   2          1HG1      VAL   2 -18.239  -3.401   2.200
   14   2HG1  VAL   2          2HG1      VAL   2 -19.394  -2.353   3.025
   15   3HG1  VAL   2          3HG1      VAL   2 -19.626  -4.102   3.034
   16   1HG2  VAL   2          1HG2      VAL   2 -21.145  -1.448   0.445
   17   2HG2  VAL   2          2HG2      VAL   2 -22.142  -2.561   1.381
   18   3HG2  VAL   2          3HG2      VAL   2 -20.986  -1.510   2.200
   19    H    ALA   3           H        ALA   3 -19.614  -5.237  -0.871
   20    HA   ALA   3           HA       ALA   3 -17.376  -6.595   0.112
   21   1HB   ALA   3          1HB       ALA   3 -19.413  -7.722  -0.617
   22   2HB   ALA   3          2HB       ALA   3 -19.064  -7.285  -2.290
   23   3HB   ALA   3          3HB       ALA   3 -17.993  -8.386  -1.424
   24    H    GLN   4           H        GLN   4 -17.903  -4.942  -2.947
   25    HA   GLN   4           HA       GLN   4 -15.538  -5.784  -4.263
   26   1HB   GLN   4          1HB       GLN   4 -17.065  -3.201  -4.606
   27   2HB   GLN   4          2HB       GLN   4 -15.946  -3.901  -5.765
   28   1HG   GLN   4          1HG       GLN   4 -18.529  -5.184  -4.902
   29   2HG   GLN   4          2HG       GLN   4 -18.327  -4.213  -6.359
   30   1HE2  GLN   4          1HE2      GLN   4 -17.257  -6.875  -8.248
   31   2HE2  GLN   4          2HE2      GLN   4 -17.959  -5.290  -8.136
   32    H    LEU   5           H        LEU   5 -16.369  -2.974  -2.304
   33    HA   LEU   5           HA       LEU   5 -13.856  -1.698  -2.526
   34   1HB   LEU   5          1HB       LEU   5 -16.117  -1.477  -0.565
   35   2HB   LEU   5          2HB       LEU   5 -14.673  -0.489  -0.432
   36    HG   LEU   5           HG       LEU   5 -16.546  -0.530  -2.800
   37   1HD1  LEU   5          1HD1      LEU   5 -16.227   1.407  -0.522
   38   2HD1  LEU   5          2HD1      LEU   5 -17.109   1.762  -2.008
   39   3HD1  LEU   5          3HD1      LEU   5 -17.657   0.466  -0.944
   40   1HD2  LEU   5          1HD2      LEU   5 -14.016   0.039  -3.056
   41   2HD2  LEU   5          2HD2      LEU   5 -15.229   1.085  -3.794
   42   3HD2  LEU   5          3HD2      LEU   5 -14.470   1.551  -2.271
   43    H    GLU   6           H        GLU   6 -15.191  -4.073  -0.303
   44    HA   GLU   6           HA       GLU   6 -13.106  -3.990   1.609
   45   1HB   GLU   6          1HB       GLU   6 -15.159  -6.059   0.868
   46   2HB   GLU   6          2HB       GLU   6 -13.892  -6.436   2.026
   47   1HG   GLU   6          1HG       GLU   6 -15.726  -4.079   2.330
   48   2HG   GLU   6          2HG       GLU   6 -16.095  -5.675   2.982
   49    H    LYS   7           H        LYS   7 -13.563  -5.897  -1.365
   50    HA   LYS   7           HA       LYS   7 -11.176  -7.412  -0.983
   51   1HB   LYS   7          1HB       LYS   7 -11.552  -8.350  -3.100
   52   2HB   LYS   7          2HB       LYS   7 -13.159  -8.061  -2.443
   53   1HG   LYS   7          1HG       LYS   7 -13.585  -6.338  -3.862
   54   2HG   LYS   7          2HG       LYS   7 -11.874  -5.975  -4.063
   55   1HD   LYS   7          1HD       LYS   7 -12.820  -6.914  -6.114
   56   2HD   LYS   7          2HD       LYS   7 -11.608  -7.996  -5.424
   57   1HE   LYS   7          1HE       LYS   7 -13.305  -9.425  -4.521
   58   2HE   LYS   7          2HE       LYS   7 -14.574  -8.281  -4.965
   59   1HZ   LYS   7          1HZ       LYS   7 -13.581  -8.669  -7.337
   60   2HZ   LYS   7          2HZ       LYS   7 -13.058 -10.133  -6.659
   61   3HZ   LYS   7          3HZ       LYS   7 -14.709  -9.747  -6.682
   62    H    GLU   8           H        GLU   8 -11.887  -4.287  -2.140
   63    HA   GLU   8           HA       GLU   8  -9.440  -3.940  -3.623
   64   1HB   GLU   8          1HB       GLU   8 -11.427  -2.704  -4.286
   65   2HB   GLU   8          2HB       GLU   8 -11.559  -1.997  -2.683
   66   1HG   GLU   8          1HG       GLU   8 -10.694  -0.372  -4.177
   67   2HG   GLU   8          2HG       GLU   8  -9.421  -0.837  -3.053
   68    H    VAL   9           H        VAL   9 -10.769  -3.025  -0.470
   69    HA   VAL   9           HA       VAL   9  -8.543  -1.539   0.436
   70    HB   VAL   9           HB       VAL   9 -10.659  -3.063   1.979
   71   1HG1  VAL   9          1HG1      VAL   9  -8.183  -2.175   2.953
   72   2HG1  VAL   9          2HG1      VAL   9  -9.368  -0.986   3.494
   73   3HG1  VAL   9          3HG1      VAL   9  -9.584  -2.690   3.893
   74   1HG2  VAL   9          1HG2      VAL   9 -10.338  -0.234   1.073
   75   2HG2  VAL   9          2HG2      VAL   9 -11.756  -1.282   1.006
   76   3HG2  VAL   9          3HG2      VAL   9 -11.247  -0.585   2.544
   77    H    ALA  10           H        ALA  10  -9.481  -4.925   0.716
   78    HA   ALA  10           HA       ALA  10  -7.242  -5.779   2.217
   79   1HB   ALA  10          1HB       ALA  10  -9.182  -7.238   0.438
   80   2HB   ALA  10          2HB       ALA  10  -7.888  -8.055   1.317
   81   3HB   ALA  10          3HB       ALA  10  -9.141  -7.184   2.201
   82    H    GLN  11           H        GLN  11  -7.769  -5.191  -1.169
   83    HA   GLN  11           HA       GLN  11  -5.529  -6.638  -2.164
   84   1HB   GLN  11          1HB       GLN  11  -7.545  -5.807  -3.495
   85   2HB   GLN  11          2HB       GLN  11  -6.813  -4.214  -3.424
   86   1HG   GLN  11          1HG       GLN  11  -6.321  -5.295  -5.532
   87   2HG   GLN  11          2HG       GLN  11  -4.850  -5.039  -4.595
   88   1HE2  GLN  11          1HE2      GLN  11  -5.736  -8.650  -5.931
   89   2HE2  GLN  11          2HE2      GLN  11  -6.495  -7.183  -6.452
   90    H    ALA  12           H        ALA  12  -6.158  -3.224  -1.479
   91    HA   ALA  12           HA       ALA  12  -3.555  -2.295  -2.020
   92   1HB   ALA  12          1HB       ALA  12  -5.938  -1.111  -1.397
   93   2HB   ALA  12          2HB       ALA  12  -4.967  -0.800   0.042
   94   3HB   ALA  12          3HB       ALA  12  -4.388  -0.283  -1.541
   95    H    GLU  13           H        GLU  13  -5.106  -3.428   0.936
   96    HA   GLU  13           HA       GLU  13  -3.016  -2.865   2.721
   97   1HB   GLU  13          1HB       GLU  13  -5.390  -4.640   2.717
   98   2HB   GLU  13          2HB       GLU  13  -4.126  -5.021   3.877
   99   1HG   GLU  13          1HG       GLU  13  -5.343  -2.288   3.629
  100   2HG   GLU  13          2HG       GLU  13  -5.987  -3.537   4.695
  101    H    ALA  14           H        ALA  14  -3.588  -5.642   0.612
  102    HA   ALA  14           HA       ALA  14  -1.527  -7.271   1.686
  103   1HB   ALA  14          1HB       ALA  14  -3.346  -8.193   0.328
  104   2HB   ALA  14          2HB       ALA  14  -2.739  -7.318  -1.080
  105   3HB   ALA  14          3HB       ALA  14  -1.769  -8.597  -0.351
  106    H    GLU  15           H        GLU  15  -1.657  -4.895  -0.916
  107    HA   GLU  15           HA       GLU  15   0.962  -5.257  -1.882
  108   1HB   GLU  15          1HB       GLU  15  -0.770  -4.213  -3.202
  109   2HB   GLU  15          2HB       GLU  15  -1.051  -3.005  -1.973
  110   1HG   GLU  15          1HG       GLU  15   0.159  -1.914  -3.625
  111   2HG   GLU  15          2HG       GLU  15   1.283  -2.284  -2.324
  112    H    ASN  16           H        ASN  16  -0.647  -3.020   0.257
  113    HA   ASN  16           HA       ASN  16   1.442  -1.368   1.051
  114   1HB   ASN  16          1HB       ASN  16  -1.042  -1.166   1.575
  115   2HB   ASN  16          2HB       ASN  16  -0.781  -2.336   2.858
  116   1HD2  ASN  16          1HD2      ASN  16  -0.238   1.492   3.572
  117   2HD2  ASN  16          2HD2      ASN  16  -1.092   0.833   2.213
  118    H    TYR  17           H        TYR  17   0.357  -4.427   2.438
  119    HA   TYR  17           HA       TYR  17   2.102  -4.608   4.606
  120   1HB   TYR  17          1HB       TYR  17   0.337  -6.203   4.483
  121   2HB   TYR  17          2HB       TYR  17   0.811  -6.715   2.867
  122    HD1  TYR  17           HD1      TYR  17   2.229  -6.576   6.329
  123    HD2  TYR  17           HD2      TYR  17   1.958  -8.701   2.652
  124    HE1  TYR  17           HE1      TYR  17   3.605  -8.379   7.275
  125    HE2  TYR  17           HE2      TYR  17   3.329 -10.514   3.592
  126    HH   TYR  17           HH       TYR  17   4.042 -11.419   5.657
  127    H    GLN  18           H        GLN  18   2.506  -5.606   1.247
  128    HA   GLN  18           HA       GLN  18   5.095  -6.727   1.616
  129   1HB   GLN  18          1HB       GLN  18   3.559  -5.880  -0.834
  130   2HB   GLN  18          2HB       GLN  18   5.161  -6.601  -0.918
  131   1HG   GLN  18          1HG       GLN  18   2.803  -7.911   0.409
  132   2HG   GLN  18          2HG       GLN  18   3.270  -8.187  -1.268
  133   1HE2  GLN  18          1HE2      GLN  18   5.358 -10.761  -0.352
  134   2HE2  GLN  18          2HE2      GLN  18   4.169 -10.100  -1.421
  135    H    LEU  19           H        LEU  19   3.890  -3.539   0.876
  136    HA   LEU  19           HA       LEU  19   6.365  -2.445  -0.014
  137   1HB   LEU  19          1HB       LEU  19   4.056  -1.003   1.290
  138   2HB   LEU  19          2HB       LEU  19   5.343  -0.268   0.354
  139    HG   LEU  19           HG       LEU  19   3.131  -2.046  -0.662
  140   1HD1  LEU  19          1HD1      LEU  19   3.845   0.845  -0.957
  141   2HD1  LEU  19          2HD1      LEU  19   2.829   0.020  -2.141
  142   3HD1  LEU  19          3HD1      LEU  19   2.318   0.126  -0.455
  143   1HD2  LEU  19          1HD2      LEU  19   5.743  -1.337  -1.856
  144   2HD2  LEU  19          2HD2      LEU  19   4.738  -2.767  -2.086
  145   3HD2  LEU  19          3HD2      LEU  19   4.325  -1.260  -2.904
  146    H    GLU  20           H        GLU  20   4.634  -2.365   3.087
  147    HA   GLU  20           HA       GLU  20   6.604  -1.001   4.547
  148   1HB   GLU  20          1HB       GLU  20   4.469  -2.958   5.391
  149   2HB   GLU  20          2HB       GLU  20   5.497  -2.115   6.540
  150   1HG   GLU  20          1HG       GLU  20   3.743  -0.733   4.531
  151   2HG   GLU  20          2HG       GLU  20   3.258  -1.090   6.188
  152    H    GLN  21           H        GLN  21   6.140  -4.392   3.802
  153    HA   GLN  21           HA       GLN  21   8.119  -5.449   5.524
  154   1HB   GLN  21          1HB       GLN  21   6.319  -6.777   4.430
  155   2HB   GLN  21          2HB       GLN  21   7.112  -6.533   2.882
  156   1HG   GLN  21          1HG       GLN  21   7.718  -8.679   3.573
  157   2HG   GLN  21          2HG       GLN  21   9.128  -7.668   3.873
  158   1HE2  GLN  21          1HE2      GLN  21   7.333  -7.978   7.417
  159   2HE2  GLN  21          2HE2      GLN  21   6.766  -6.974   6.128
  160    H    GLU  22           H        GLU  22   8.129  -4.379   2.155
  161    HA   GLU  22           HA       GLU  22  10.822  -5.035   1.597
  162   1HB   GLU  22          1HB       GLU  22   9.032  -4.594  -0.105
  163   2HB   GLU  22          2HB       GLU  22   9.115  -2.889   0.314
  164   1HG   GLU  22          1HG       GLU  22  10.393  -3.136  -1.620
  165   2HG   GLU  22          2HG       GLU  22  11.554  -2.983  -0.308
  166    H    VAL  23           H        VAL  23   9.206  -2.018   2.562
  167    HA   VAL  23           HA       VAL  23  11.444  -0.348   2.567
  168    HB   VAL  23           HB       VAL  23   8.906  -0.253   4.197
  169   1HG1  VAL  23          1HG1      VAL  23  11.332   1.148   4.710
  170   2HG1  VAL  23          2HG1      VAL  23  10.133   2.297   4.115
  171   3HG1  VAL  23          3HG1      VAL  23   9.777   1.301   5.527
  172   1HG2  VAL  23          1HG2      VAL  23   8.818   0.099   1.718
  173   2HG2  VAL  23          2HG2      VAL  23   8.240   1.465   2.672
  174   3HG2  VAL  23          3HG2      VAL  23   9.845   1.516   1.940
  175    H    ALA  24           H        ALA  24  10.087  -2.338   5.193
  176    HA   ALA  24           HA       ALA  24  11.879  -1.595   7.203
  177   1HB   ALA  24          1HB       ALA  24   9.755  -3.127   7.264
  178   2HB   ALA  24          2HB       ALA  24  10.931  -4.418   7.025
  179   3HB   ALA  24          3HB       ALA  24  11.057  -3.360   8.431
  180    H    GLN  25           H        GLN  25  12.073  -4.119   4.736
  181    HA   GLN  25           HA       GLN  25  14.525  -5.225   5.589
  182   1HB   GLN  25          1HB       GLN  25  13.039  -6.443   4.094
  183   2HB   GLN  25          2HB       GLN  25  13.227  -5.207   2.861
  184   1HG   GLN  25          1HG       GLN  25  15.520  -5.790   2.530
  185   2HG   GLN  25          2HG       GLN  25  15.493  -6.887   3.910
  186   1HE2  GLN  25          1HE2      GLN  25  14.768  -9.553   1.849
  187   2HE2  GLN  25          2HE2      GLN  25  15.668  -8.876   3.172
  188    H    LEU  26           H        LEU  26  13.797  -2.918   2.961
  189    HA   LEU  26           HA       LEU  26  16.422  -2.470   2.151
  190   1HB   LEU  26          1HB       LEU  26  14.180  -0.455   2.120
  191   2HB   LEU  26          2HB       LEU  26  15.617  -0.441   1.115
  192    HG   LEU  26           HG       LEU  26  13.422  -2.516   1.008
  193   1HD1  LEU  26          1HD1      LEU  26  13.501   0.040  -0.075
  194   2HD1  LEU  26          2HD1      LEU  26  13.913  -1.041  -1.407
  195   3HD1  LEU  26          3HD1      LEU  26  12.413  -1.277  -0.510
  196   1HD2  LEU  26          1HD2      LEU  26  16.024  -2.248  -0.465
  197   2HD2  LEU  26          2HD2      LEU  26  15.385  -3.644   0.403
  198   3HD2  LEU  26          3HD2      LEU  26  14.659  -3.150  -1.127
  199    H    GLU  27           H        GLU  27  14.519  -0.701   4.587
  200    HA   GLU  27           HA       GLU  27  16.513   1.189   5.237
  201   1HB   GLU  27          1HB       GLU  27  14.190   0.062   6.794
  202   2HB   GLU  27          2HB       GLU  27  15.262   1.276   7.474
  203   1HG   GLU  27          1HG       GLU  27  13.717   1.659   4.922
  204   2HG   GLU  27          2HG       GLU  27  13.127   2.140   6.510
  205    H    HIS  28           H        HIS  28  15.763  -2.008   6.502
  206    HA   HIS  28           HA       HIS  28  17.646  -2.013   8.606
  207   1HB   HIS  28          1HB       HIS  28  15.692  -3.512   8.472
  208   2HB   HIS  28          2HB       HIS  28  16.420  -4.329   7.098
  209    HD1  HIS  28           HD1      HIS  28  17.865  -3.488  10.552
  210    HD2  HIS  28           HD2      HIS  28  17.172  -6.698   7.997
  211    HE1  HIS  28           HE1      HIS  28  18.850  -5.525  11.689
  212    H    GLU  29           H        GLU  29  17.813  -3.131   5.245
  213    HA   GLU  29           HA       GLU  29  20.457  -4.199   5.490
  214   1HB   GLU  29          1HB       GLU  29  18.875  -3.418   3.036
  215   2HB   GLU  29          2HB       GLU  29  20.386  -4.314   3.015
  216   1HG   GLU  29          1HG       GLU  29  17.923  -5.290   4.431
  217   2HG   GLU  29          2HG       GLU  29  18.278  -5.661   2.747
  218    H    CYS  30           H        CYS  30  19.090  -1.106   4.857
  219    HA   CYS  30           HA       CYS  30  21.491   0.034   3.735
  220   1HB   CYS  30          1HB       CYS  30  19.277   0.880   3.074
  221   2HB   CYS  30          2HB       CYS  30  18.958   1.364   4.735
  222    H    GLY  31           H        GLY  31  20.023  -0.304   6.875
  223   1HA   GLY  31          1HA       GLY  31  22.192  -0.032   8.442
  224   2HA   GLY  31          2HA       GLY  31  21.770   1.644   8.121
  225   1HN   NH2  32          1HN       NH2  32  20.165  -1.375   9.054
  226   2HN   NH2  32          2HN       NH2  32  19.153  -0.663  10.268
  227   1H    ACE   0          1H        ACE   0 -18.608   0.087   8.181
  228   2H    ACE   0          2H        ACE   0 -17.177   0.301   7.168
  229   3H    ACE   0          3H        ACE   0 -17.857  -1.311   7.404
  230    H    GLU   1           H        GLU   1 -18.940   1.915   6.335
  231    HA   GLU   1           HA       GLU   1 -20.781   0.691   4.451
  232   1HB   GLU   1          1HB       GLU   1 -21.380   3.131   3.997
  233   2HB   GLU   1          2HB       GLU   1 -21.799   2.478   5.574
  234   1HG   GLU   1          1HG       GLU   1 -19.901   3.595   6.563
  235   2HG   GLU   1          2HG       GLU   1 -19.380   4.167   4.977
  236    H    VAL   2           H        VAL   2 -20.962   1.890   2.294
  237    HA   VAL   2           HA       VAL   2 -18.719   1.318   0.748
  238    HB   VAL   2           HB       VAL   2 -21.106   3.079   0.173
  239   1HG1  VAL   2          1HG1      VAL   2 -19.115   3.754  -1.186
  240   2HG1  VAL   2          2HG1      VAL   2 -19.095   2.123  -1.856
  241   3HG1  VAL   2          3HG1      VAL   2 -20.487   3.172  -2.129
  242   1HG2  VAL   2          1HG2      VAL   2 -20.579   0.249   0.092
  243   2HG2  VAL   2          2HG2      VAL   2 -22.104   1.109  -0.118
  244   3HG2  VAL   2          3HG2      VAL   2 -21.037   0.848  -1.500
  245    H    GLN   3           H        GLN   3 -19.955   4.524   1.754
  246    HA   GLN   3           HA       GLN   3 -17.816   6.021   0.715
  247   1HB   GLN   3          1HB       GLN   3 -19.877   6.495   2.808
  248   2HB   GLN   3          2HB       GLN   3 -18.539   7.622   2.679
  249   1HG   GLN   3          1HG       GLN   3 -20.339   6.892   0.383
  250   2HG   GLN   3          2HG       GLN   3 -20.602   8.277   1.442
  251   1HE2  GLN   3          1HE2      GLN   3 -18.560  10.315  -0.442
  252   2HE2  GLN   3          2HE2      GLN   3 -19.933  10.105   0.606
  253    H    ALA   4           H        ALA   4 -18.181   4.271   3.710
  254    HA   ALA   4           HA       ALA   4 -15.996   5.397   5.088
  255   1HB   ALA   4          1HB       ALA   4 -17.454   2.789   5.370
  256   2HB   ALA   4          2HB       ALA   4 -16.105   3.233   6.416
  257   3HB   ALA   4          3HB       ALA   4 -17.562   4.225   6.388
  258    H    LEU   5           H        LEU   5 -16.316   2.540   3.032
  259    HA   LEU   5           HA       LEU   5 -13.586   1.756   3.333
  260   1HB   LEU   5          1HB       LEU   5 -15.673   0.913   1.322
  261   2HB   LEU   5          2HB       LEU   5 -14.102   0.159   1.510
  262    HG   LEU   5           HG       LEU   5 -16.251   0.235   3.631
  263   1HD1  LEU   5          1HD1      LEU   5 -15.920  -1.447   1.361
  264   2HD1  LEU   5          2HD1      LEU   5 -15.599  -2.388   2.817
  265   3HD1  LEU   5          3HD1      LEU   5 -17.133  -1.536   2.638
  266   1HD2  LEU   5          1HD2      LEU   5 -13.474  -0.162   3.854
  267   2HD2  LEU   5          2HD2      LEU   5 -14.708  -0.424   5.085
  268   3HD2  LEU   5          3HD2      LEU   5 -14.227  -1.747   4.022
  269    H    LYS   6           H        LYS   6 -15.353   3.692   0.967
  270    HA   LYS   6           HA       LYS   6 -13.421   3.734  -1.059
  271   1HB   LYS   6          1HB       LYS   6 -15.407   5.839  -0.200
  272   2HB   LYS   6          2HB       LYS   6 -14.399   5.992  -1.630
  273   1HG   LYS   6          1HG       LYS   6 -15.438   4.138  -2.674
  274   2HG   LYS   6          2HG       LYS   6 -16.268   3.686  -1.183
  275   1HD   LYS   6          1HD       LYS   6 -17.817   4.789  -2.673
  276   2HD   LYS   6          2HD       LYS   6 -17.517   5.807  -1.267
  277   1HE   LYS   6          1HE       LYS   6 -15.770   6.987  -2.670
  278   2HE   LYS   6          2HE       LYS   6 -16.433   6.122  -4.057
  279   1HZ   LYS   6          1HZ       LYS   6 -18.619   7.106  -3.495
  280   2HZ   LYS   6          2HZ       LYS   6 -17.864   8.030  -2.294
  281   3HZ   LYS   6          3HZ       LYS   6 -17.449   8.263  -3.921
  282    H    LYS   7           H        LYS   7 -13.780   5.860   1.783
  283    HA   LYS   7           HA       LYS   7 -11.505   7.443   1.173
  284   1HB   LYS   7          1HB       LYS   7 -13.159   7.019   3.630
  285   2HB   LYS   7          2HB       LYS   7 -11.620   7.856   3.769
  286   1HG   LYS   7          1HG       LYS   7 -13.297   9.506   3.535
  287   2HG   LYS   7          2HG       LYS   7 -12.425   9.441   2.006
  288   1HD   LYS   7          1HD       LYS   7 -14.224   7.989   1.101
  289   2HD   LYS   7          2HD       LYS   7 -15.109   8.206   2.611
  290   1HE   LYS   7          1HE       LYS   7 -14.340  10.346   0.635
  291   2HE   LYS   7          2HE       LYS   7 -15.961   9.731   0.947
  292   1HZ   LYS   7          1HZ       LYS   7 -15.086  10.538   3.397
  293   2HZ   LYS   7          2HZ       LYS   7 -14.460  11.720   2.358
  294   3HZ   LYS   7          3HZ       LYS   7 -16.128  11.409   2.379
  295    H    ARG   8           H        ARG   8 -11.989   4.399   2.791
  296    HA   ARG   8           HA       ARG   8  -9.440   4.150   4.023
  297   1HB   ARG   8          1HB       ARG   8 -11.256   2.728   4.726
  298   2HB   ARG   8          2HB       ARG   8 -11.485   2.123   3.094
  299   1HG   ARG   8          1HG       ARG   8 -10.434   0.419   4.358
  300   2HG   ARG   8          2HG       ARG   8  -9.234   1.068   3.246
  301   1HD   ARG   8          1HD       ARG   8  -8.099   2.204   4.949
  302   2HD   ARG   8          2HD       ARG   8  -9.468   2.074   6.053
  303    HE   ARG   8           HE       ARG   8  -8.735  -0.515   5.543
  304   1HH1  ARG   8          1HH1      ARG   8  -7.025   2.298   6.778
  305   2HH1  ARG   8          2HH1      ARG   8  -6.050   1.361   7.868
  306   1HH2  ARG   8          1HH2      ARG   8  -7.468  -1.721   6.985
  307   2HH2  ARG   8          2HH2      ARG   8  -6.281  -0.918   7.968
  308    H    VAL   9           H        VAL   9 -10.785   3.157   0.911
  309    HA   VAL   9           HA       VAL   9  -8.509   1.877  -0.123
  310    HB   VAL   9           HB       VAL   9 -10.745   3.309  -1.574
  311   1HG1  VAL   9          1HG1      VAL   9  -8.381   2.671  -2.721
  312   2HG1  VAL   9          2HG1      VAL   9  -9.273   1.167  -2.953
  313   3HG1  VAL   9          3HG1      VAL   9  -9.925   2.684  -3.575
  314   1HG2  VAL   9          1HG2      VAL   9 -10.319   0.403  -0.910
  315   2HG2  VAL   9          2HG2      VAL   9 -11.562   1.471  -0.258
  316   3HG2  VAL   9          3HG2      VAL   9 -11.594   1.018  -1.963
  317    H    GLN  10           H        GLN  10  -9.660   5.217  -0.429
  318    HA   GLN  10           HA       GLN  10  -7.569   6.160  -2.051
  319   1HB   GLN  10          1HB       GLN  10  -9.288   7.654  -0.061
  320   2HB   GLN  10          2HB       GLN  10  -8.266   8.412  -1.275
  321   1HG   GLN  10          1HG       GLN  10 -10.524   6.533  -1.913
  322   2HG   GLN  10          2HG       GLN  10 -10.681   8.287  -1.862
  323   1HE2  GLN  10          1HE2      GLN  10  -8.005   8.104  -4.645
  324   2HE2  GLN  10          2HE2      GLN  10  -7.780   8.294  -2.941
  325    H    ALA  11           H        ALA  11  -7.887   5.863   1.437
  326    HA   ALA  11           HA       ALA  11  -5.577   7.352   2.117
  327   1HB   ALA  11          1HB       ALA  11  -7.515   5.672   3.493
  328   2HB   ALA  11          2HB       ALA  11  -5.886   5.521   4.151
  329   3HB   ALA  11          3HB       ALA  11  -6.656   7.105   4.057
  330    H    LEU  12           H        LEU  12  -6.177   3.909   1.584
  331    HA   LEU  12           HA       LEU  12  -3.582   3.016   2.178
  332   1HB   LEU  12          1HB       LEU  12  -5.762   1.859   0.463
  333   2HB   LEU  12          2HB       LEU  12  -4.217   1.065   0.662
  334    HG   LEU  12           HG       LEU  12  -5.852   1.801   3.066
  335   1HD1  LEU  12          1HD1      LEU  12  -6.500  -0.176   1.028
  336   2HD1  LEU  12          2HD1      LEU  12  -6.328  -0.870   2.641
  337   3HD1  LEU  12          3HD1      LEU  12  -7.476   0.441   2.362
  338   1HD2  LEU  12          1HD2      LEU  12  -3.543   0.049   2.395
  339   2HD2  LEU  12          2HD2      LEU  12  -3.811   1.083   3.799
  340   3HD2  LEU  12          3HD2      LEU  12  -4.637  -0.471   3.679
  341    H    LYS  13           H        LYS  13  -5.101   3.880  -0.926
  342    HA   LYS  13           HA       LYS  13  -2.884   3.350  -2.550
  343   1HB   LYS  13          1HB       LYS  13  -5.346   4.973  -2.811
  344   2HB   LYS  13          2HB       LYS  13  -4.030   5.386  -3.899
  345   1HG   LYS  13          1HG       LYS  13  -5.549   3.814  -4.943
  346   2HG   LYS  13          2HG       LYS  13  -3.958   3.085  -4.711
  347   1HD   LYS  13          1HD       LYS  13  -4.804   1.962  -2.681
  348   2HD   LYS  13          2HD       LYS  13  -6.397   2.660  -2.978
  349   1HE   LYS  13          1HE       LYS  13  -4.910   0.761  -4.792
  350   2HE   LYS  13          2HE       LYS  13  -6.278   0.353  -3.757
  351   1HZ   LYS  13          1HZ       LYS  13  -7.250   2.407  -5.205
  352   2HZ   LYS  13          2HZ       LYS  13  -6.236   1.647  -6.333
  353   3HZ   LYS  13          3HZ       LYS  13  -7.479   0.765  -5.577
  354    H    ALA  14           H        ALA  14  -3.719   6.254  -0.721
  355    HA   ALA  14           HA       ALA  14  -1.667   7.895  -1.787
  356   1HB   ALA  14          1HB       ALA  14  -3.754   8.384  -0.169
  357   2HB   ALA  14          2HB       ALA  14  -2.466   8.310   1.035
  358   3HB   ALA  14          3HB       ALA  14  -2.365   9.462  -0.296
  359    H    ARG  15           H        ARG  15  -1.858   5.832   1.072
  360    HA   ARG  15           HA       ARG  15   0.792   6.296   1.993
  361   1HB   ARG  15          1HB       ARG  15  -0.833   5.471   3.529
  362   2HB   ARG  15          2HB       ARG  15  -1.251   4.131   2.477
  363   1HG   ARG  15          1HG       ARG  15  -0.020   3.168   4.195
  364   2HG   ARG  15          2HG       ARG  15   1.121   3.300   2.859
  365   1HD   ARG  15          1HD       ARG  15   2.225   5.130   3.841
  366   2HD   ARG  15          2HD       ARG  15   0.919   5.400   4.997
  367    HE   ARG  15           HE       ARG  15   3.126   3.625   5.292
  368   1HH1  ARG  15          1HH1      ARG  15  -0.261   4.063   6.124
  369   2HH1  ARG  15          2HH1      ARG  15  -0.214   2.925   7.436
  370   1HH2  ARG  15          1HH2      ARG  15   3.176   2.114   7.034
  371   2HH2  ARG  15          2HH2      ARG  15   1.729   1.842   7.963
  372    H    ASN  16           H        ASN  16  -0.692   3.898  -0.088
  373    HA   ASN  16           HA       ASN  16   1.509   2.176  -0.399
  374   1HB   ASN  16          1HB       ASN  16  -1.054   2.675  -1.855
  375   2HB   ASN  16          2HB       ASN  16   0.181   1.717  -2.656
  376   1HD2  ASN  16          1HD2      ASN  16  -0.994  -1.114  -1.074
  377   2HD2  ASN  16          2HD2      ASN  16  -0.551  -0.314  -2.538
  378    H    TYR  17           H        TYR  17   0.397   4.984  -2.217
  379    HA   TYR  17           HA       TYR  17   2.232   4.840  -4.331
  380   1HB   TYR  17          1HB       TYR  17   0.136   6.348  -3.989
  381   2HB   TYR  17          2HB       TYR  17   1.253   7.450  -3.198
  382    HD1  TYR  17           HD1      TYR  17   3.480   7.899  -4.663
  383    HD2  TYR  17           HD2      TYR  17  -0.292   6.694  -6.213
  384    HE1  TYR  17           HE1      TYR  17   4.095   8.815  -6.858
  385    HE2  TYR  17           HE2      TYR  17   0.316   7.606  -8.414
  386    HH   TYR  17           HH       TYR  17   2.442   9.747  -8.987
  387    H    ALA  18           H        ALA  18   2.402   6.538  -1.199
  388    HA   ALA  18           HA       ALA  18   4.995   7.615  -1.654
  389   1HB   ALA  18          1HB       ALA  18   3.089   8.145   0.156
  390   2HB   ALA  18          2HB       ALA  18   4.153   7.134   1.135
  391   3HB   ALA  18          3HB       ALA  18   4.780   8.594   0.369
  392    H    ALA  19           H        ALA  19   3.808   4.623  -0.242
  393    HA   ALA  19           HA       ALA  19   6.298   3.817   0.869
  394   1HB   ALA  19          1HB       ALA  19   3.640   2.664   0.552
  395   2HB   ALA  19          2HB       ALA  19   4.940   1.477   0.433
  396   3HB   ALA  19          3HB       ALA  19   4.802   2.494   1.868
  397    H    LYS  20           H        LYS  20   4.711   3.237  -2.241
  398    HA   LYS  20           HA       LYS  20   6.534   1.344  -3.247
  399   1HB   LYS  20          1HB       LYS  20   4.725   3.334  -4.599
  400   2HB   LYS  20          2HB       LYS  20   5.750   2.238  -5.513
  401   1HG   LYS  20          1HG       LYS  20   4.642   0.330  -4.547
  402   2HG   LYS  20          2HG       LYS  20   3.668   1.386  -3.520
  403   1HD   LYS  20          1HD       LYS  20   2.545   2.311  -5.400
  404   2HD   LYS  20          2HD       LYS  20   3.661   1.531  -6.522
  405   1HE   LYS  20          1HE       LYS  20   1.745   0.083  -4.684
  406   2HE   LYS  20          2HE       LYS  20   1.477   0.373  -6.402
  407   1HZ   LYS  20          1HZ       LYS  20   3.981  -0.827  -6.147
  408   2HZ   LYS  20          2HZ       LYS  20   2.913  -1.725  -5.178
  409   3HZ   LYS  20          3HZ       LYS  20   2.574  -1.488  -6.824
  410    H    GLN  21           H        GLN  21   6.449   4.885  -3.552
  411    HA   GLN  21           HA       GLN  21   8.837   5.015  -5.088
  412   1HB   GLN  21          1HB       GLN  21   8.718   7.391  -4.802
  413   2HB   GLN  21          2HB       GLN  21   7.082   6.795  -5.035
  414   1HG   GLN  21          1HG       GLN  21   7.008   6.785  -2.438
  415   2HG   GLN  21          2HG       GLN  21   8.363   7.903  -2.586
  416   1HE2  GLN  21          1HE2      GLN  21   5.148   9.290  -4.625
  417   2HE2  GLN  21          2HE2      GLN  21   5.873   7.756  -4.998
  418    H    LYS  22           H        LYS  22   8.115   4.801  -1.715
  419    HA   LYS  22           HA       LYS  22  10.622   5.650  -0.684
  420   1HB   LYS  22          1HB       LYS  22   8.230   4.287   0.341
  421   2HB   LYS  22          2HB       LYS  22   9.719   3.713   1.077
  422   1HG   LYS  22          1HG       LYS  22  10.240   6.167   1.538
  423   2HG   LYS  22          2HG       LYS  22   8.549   6.473   1.129
  424   1HD   LYS  22          1HD       LYS  22   7.754   5.340   2.965
  425   2HD   LYS  22          2HD       LYS  22   9.188   4.318   3.089
  426   1HE   LYS  22          1HE       LYS  22   9.177   5.844   4.936
  427   2HE   LYS  22          2HE       LYS  22  10.476   6.304   3.837
  428   1HZ   LYS  22          1HZ       LYS  22   8.349   7.765   2.970
  429   2HZ   LYS  22          2HZ       LYS  22   8.155   7.784   4.653
  430   3HZ   LYS  22          3HZ       LYS  22   9.603   8.334   3.963
  431    H    VAL  23           H        VAL  23   9.220   2.538  -1.576
  432    HA   VAL  23           HA       VAL  23  11.329   0.830  -0.972
  433    HB   VAL  23           HB       VAL  23   9.336   0.675  -3.252
  434   1HG1  VAL  23          1HG1      VAL  23  11.435  -1.225  -2.331
  435   2HG1  VAL  23          2HG1      VAL  23   9.912  -1.859  -2.953
  436   3HG1  VAL  23          3HG1      VAL  23  10.917  -0.824  -3.968
  437   1HG2  VAL  23          1HG2      VAL  23   8.556   0.681  -0.786
  438   2HG2  VAL  23          2HG2      VAL  23   7.943  -0.573  -1.864
  439   3HG2  VAL  23          3HG2      VAL  23   9.240  -0.944  -0.727
  440    H    GLN  24           H        GLN  24  10.619   2.528  -4.010
  441    HA   GLN  24           HA       GLN  24  12.872   1.626  -5.417
  442   1HB   GLN  24          1HB       GLN  24  11.334   4.204  -5.768
  443   2HB   GLN  24          2HB       GLN  24  12.430   3.499  -6.949
  444   1HG   GLN  24          1HG       GLN  24  10.979   1.578  -7.193
  445   2HG   GLN  24          2HG       GLN  24   9.903   2.208  -5.947
  446   1HE2  GLN  24          1HE2      GLN  24   9.325   3.217  -9.724
  447   2HE2  GLN  24          2HE2      GLN  24  10.294   1.887  -9.169
  448    H    ALA  25           H        ALA  25  12.371   4.503  -3.412
  449    HA   ALA  25           HA       ALA  25  14.879   5.695  -3.965
  450   1HB   ALA  25          1HB       ALA  25  12.613   6.274  -2.339
  451   2HB   ALA  25          2HB       ALA  25  14.068   6.430  -1.354
  452   3HB   ALA  25          3HB       ALA  25  13.913   7.351  -2.849
  453    H    LEU  26           H        LEU  26  13.770   3.653  -1.283
  454    HA   LEU  26           HA       LEU  26  16.201   3.574   0.133
  455   1HB   LEU  26          1HB       LEU  26  14.007   1.501  -0.027
  456   2HB   LEU  26          2HB       LEU  26  15.277   1.533   1.178
  457    HG   LEU  26           HG       LEU  26  13.192   3.689   0.850
  458   1HD1  LEU  26          1HD1      LEU  26  13.024   1.106   2.044
  459   2HD1  LEU  26          2HD1      LEU  26  12.945   2.342   3.301
  460   3HD1  LEU  26          3HD1      LEU  26  11.806   2.380   1.955
  461   1HD2  LEU  26          1HD2      LEU  26  15.679   3.730   2.099
  462   2HD2  LEU  26          2HD2      LEU  26  14.351   4.868   2.336
  463   3HD2  LEU  26          3HD2      LEU  26  14.515   3.470   3.399
  464    H    ARG  27           H        ARG  27  14.878   1.541  -2.417
  465    HA   ARG  27           HA       ARG  27  16.884  -0.440  -2.414
  466   1HB   ARG  27          1HB       ARG  27  14.502  -0.302  -3.524
  467   2HB   ARG  27          2HB       ARG  27  15.393   0.365  -4.880
  468   1HG   ARG  27          1HG       ARG  27  16.319  -1.617  -5.431
  469   2HG   ARG  27          2HG       ARG  27  16.429  -2.157  -3.751
  470   1HD   ARG  27          1HD       ARG  27  14.129  -2.720  -3.685
  471   2HD   ARG  27          2HD       ARG  27  13.809  -1.892  -5.203
  472    HE   ARG  27           HE       ARG  27  15.594  -3.829  -5.887
  473   1HH1  ARG  27          1HH1      ARG  27  12.574  -3.895  -4.114
  474   2HH1  ARG  27          2HH1      ARG  27  12.072  -5.423  -4.764
  475   1HH2  ARG  27          1HH2      ARG  27  14.956  -5.838  -6.736
  476   2HH2  ARG  27          2HH2      ARG  27  13.452  -6.549  -6.229
  477    H    HIS  28           H        HIS  28  16.520   2.613  -4.111
  478    HA   HIS  28           HA       HIS  28  18.780   2.291  -5.814
  479   1HB   HIS  28          1HB       HIS  28  16.827   3.818  -6.248
  480   2HB   HIS  28          2HB       HIS  28  17.426   4.852  -4.958
  481    HD1  HIS  28           HD1      HIS  28  18.896   3.380  -8.177
  482    HD2  HIS  28           HD2      HIS  28  18.883   6.866  -5.903
  483    HE1  HIS  28           HE1      HIS  28  20.321   5.060  -9.431
  484    H    LYS  29           H        LYS  29  18.192   4.026  -2.779
  485    HA   LYS  29           HA       LYS  29  20.783   5.146  -2.598
  486   1HB   LYS  29          1HB       LYS  29  18.730   5.995  -1.438
  487   2HB   LYS  29          2HB       LYS  29  18.847   4.625  -0.343
  488   1HG   LYS  29          1HG       LYS  29  21.014   5.400   0.434
  489   2HG   LYS  29          2HG       LYS  29  20.946   6.755  -0.696
  490   1HD   LYS  29          1HD       LYS  29  19.029   6.244   1.577
  491   2HD   LYS  29          2HD       LYS  29  20.318   7.449   1.564
  492   1HE   LYS  29          1HE       LYS  29  19.216   8.491  -0.421
  493   2HE   LYS  29          2HE       LYS  29  17.877   7.363  -0.205
  494   1HZ   LYS  29          1HZ       LYS  29  17.511   8.279   2.002
  495   2HZ   LYS  29          2HZ       LYS  29  18.793   9.369   1.786
  496   3HZ   LYS  29          3HZ       LYS  29  17.401   9.492   0.823
  497    H    CYS  30           H        CYS  30  19.317   2.250  -1.200
  498    HA   CYS  30           HA       CYS  30  22.027   1.290  -0.603
  499   1HB   CYS  30          1HB       CYS  30  19.681   1.275   1.291
  500   2HB   CYS  30          2HB       CYS  30  21.121   0.293   1.530
  501    H    GLY  31           H        GLY  31  18.651   0.143  -0.308
  502   1HA   GLY  31          1HA       GLY  31  17.738  -1.574  -1.692
  503   2HA   GLY  31          2HA       GLY  31  19.373  -2.120  -2.039
  504   1HN   NH2  32          1HN       NH2  32  19.021  -4.225  -1.425
  505   2HN   NH2  32          2HN       NH2  32  18.750  -4.695   0.219