*HEADER    DE NOVO PROTEIN                         09-JUL-09   2KLW              
*TITLE     SOLUTION STRUCTURE OF AN ABC COLLAGEN HETEROTRIMER REVEALS A          
*TITLE    2 SINGLE-REGISTER HELIX STABILIZED BY ELECTROSTATIC                    
*TITLE    3 INTERACTIONS                                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: K;                                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: D;                                                         
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 ENGINEERED: YES;                                                     
*COMPND   9 MOL_ID: 3;                                                           
*COMPND  10 MOLECULE: O;                                                         
*COMPND  11 CHAIN: C;                                                            
*COMPND  12 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: FMOC BASED SOLID PHASE PEPTIDE SYNTHESIS;             
*SOURCE   4 MOL_ID: 2;                                                           
*SOURCE   5 SYNTHETIC: YES;                                                      
*SOURCE   6 OTHER_DETAILS: FMOC BASED SOLID PHASE PEPTIDE SYNTHESIS;             
*SOURCE   7 MOL_ID: 3;                                                           
*SOURCE   8 SYNTHETIC: YES;                                                      
*SOURCE   9 OTHER_DETAILS: FMOC BASED SOLID PHASE PEPTIDE SYNTHESIS              
*KEYWDS    COLLAGEN, SYNTHETIC PEPTIDE, HETEROTRIMER, DE NOVO PROTEIN            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    J.A.FALLAS, V.GAUBA, J.D.HARTGERINK                                   
*REVDAT   1   21-JUL-09 2KLW    0                                                


assing ( resid 39  and name  HA2 ) ( resid  6  and name  HG3 ) 5.0 2.2 0.0
assing ( resid 42  and name  HA2 ) ( resid  9  and name  HG3 ) 5.0 2.2 0.0
assing ( resid 45  and name  HA2 ) ( resid 12  and name  HG3 ) 5.0 2.2 0.0
assing ( resid 48  and name  HA2 ) ( resid 15  and name  HG3 ) 5.0 2.2 0.0
assing ( resid 51  and name  HA2 ) ( resid 18  and name  HG3 ) 5.0 2.2 0.0
assing ( resid 54  and name  HA2 ) ( resid 21  and name  HG3 ) 5.0 2.2 0.0
assing ( resid 57  and name  HA2 ) ( resid 24  and name  HG3 ) 5.0 2.2 0.0
assing ( resid 60  and name  HA2 ) ( resid 27  and name  HG3 ) 5.0 2.2 0.0
assing ( resid  6  and name   HA ) ( resid  6  and name  HG3 ) 3.5 1.0 0.0
assing ( resid  9  and name   HA ) ( resid  9  and name  HG3 ) 3.5 1.0 0.0
assing ( resid 12  and name   HA ) ( resid 12  and name  HG3 ) 3.5 1.0 0.0
assing ( resid 15  and name   HA ) ( resid 15  and name  HG3 ) 3.5 1.0 0.0
assing ( resid 18  and name   HA ) ( resid 18  and name  HG3 ) 3.5 1.0 0.0
assing ( resid 21  and name   HA ) ( resid 21  and name  HG3 ) 3.5 1.0 0.0
assing ( resid 24  and name   HA ) ( resid 24  and name  HG3 ) 3.5 1.0 0.0
assing ( resid 27  and name   HA ) ( resid 27  and name  HG3 ) 3.5 1.0 0.0
assing ( resid  6  and name  HB2 ) ( resid  5  and name   HA ) 5.0 2.2 0.0
assing ( resid  9  and name  HB2 ) ( resid  8  and name   HA ) 5.0 2.2 0.0
assing ( resid 12  and name  HB2 ) ( resid 11  and name   HA ) 5.0 2.2 0.0
assing ( resid 15  and name  HB2 ) ( resid 14  and name   HA ) 5.0 2.2 0.0
assing ( resid 18  and name  HB2 ) ( resid 17  and name   HA ) 5.0 2.2 0.0
assing ( resid 21  and name  HB2 ) ( resid 20  and name   HA ) 5.0 2.2 0.0
assing ( resid 24  and name  HB2 ) ( resid 23  and name   HA ) 5.0 2.2 0.0
assing ( resid 27  and name  HB2 ) ( resid 26  and name   HA ) 5.0 2.2 0.0
assing ( resid  6  and name  HE# ) ( resid 40  and name  HB2 ) 5.0 2.2 0.0
assing ( resid  9  and name  HE# ) ( resid 43  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 12  and name  HE# ) ( resid 46  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 15  and name  HE# ) ( resid 49  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 18  and name  HE# ) ( resid 52  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 21  and name  HE# ) ( resid 55  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 24  and name  HE# ) ( resid 58  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 27  and name  HE# ) ( resid 61  and name  HB2 ) 5.0 2.2 0.0
assing ( resid  6  and name  HB3 ) ( resid  5  and name   HA ) 5.0 2.2 0.0
assing ( resid  9  and name  HB3 ) ( resid  8  and name   HA ) 5.0 2.2 0.0
assing ( resid 12  and name  HB3 ) ( resid 11  and name   HA ) 5.0 2.2 0.0
assing ( resid 15  and name  HB3 ) ( resid 14  and name   HA ) 5.0 2.2 0.0
assing ( resid 18  and name  HB3 ) ( resid 17  and name   HA ) 5.0 2.2 0.0
assing ( resid 21  and name  HB3 ) ( resid 20  and name   HA ) 5.0 2.2 0.0
assing ( resid 24  and name  HB3 ) ( resid 23  and name   HA ) 5.0 2.2 0.0
assing ( resid 27  and name  HB3 ) ( resid 26  and name   HA ) 5.0 2.2 0.0
assing ( resid 69  and name  HB3 ) ( resid 69  and name   HA ) 2.8 0.6 0.0
assing ( resid 72  and name  HB3 ) ( resid 72  and name   HA ) 2.8 0.6 0.0
assing ( resid 75  and name  HB3 ) ( resid 75  and name   HA ) 2.8 0.6 0.0
assing ( resid 78  and name  HB3 ) ( resid 78  and name   HA ) 2.8 0.6 0.0
assing ( resid 81  and name  HB3 ) ( resid 81  and name   HA ) 2.8 0.6 0.0
assing ( resid 84  and name  HB3 ) ( resid 84  and name   HA ) 2.8 0.6 0.0
assing ( resid 87  and name  HB3 ) ( resid 87  and name   HA ) 2.8 0.6 0.0
assing ( resid 90  and name  HB3 ) ( resid 90  and name   HA ) 2.8 0.6 0.0
assing ( resid 93  and name  HB3 ) ( resid 93  and name   HA ) 2.8 0.6 0.0
assing ( resid 69  and name  HD2 ) ( resid 38  and name  HD2 ) 5.0 2.2 0.0
assing ( resid 72  and name  HD2 ) ( resid 41  and name  HD2 ) 5.0 2.2 0.0
assing ( resid 75  and name  HD2 ) ( resid 44  and name  HD2 ) 5.0 2.2 0.0
assing ( resid 78  and name  HD2 ) ( resid 47  and name  HD2 ) 5.0 2.2 0.0
assing ( resid 81  and name  HD2 ) ( resid 50  and name  HD2 ) 5.0 2.2 0.0
assing ( resid 84  and name  HD2 ) ( resid 53  and name  HD2 ) 5.0 2.2 0.0
assing ( resid 87  and name  HD2 ) ( resid 56  and name  HD2 ) 5.0 2.2 0.0
assing ( resid 90  and name  HD2 ) ( resid 59  and name  HD2 ) 5.0 2.2 0.0
assing ( resid  5  and name  HD3 ) ( resid  5  and name  HG# ) 2.8 0.6 0.0
assing ( resid  8  and name  HD3 ) ( resid  8  and name  HG# ) 2.8 0.6 0.0
assing ( resid 11  and name  HD3 ) ( resid 11  and name  HG# ) 2.8 0.6 0.0
assing ( resid 14  and name  HD3 ) ( resid 14  and name  HG# ) 2.8 0.6 0.0
assing ( resid 17  and name  HD3 ) ( resid 17  and name  HG# ) 2.8 0.6 0.0
assing ( resid 20  and name  HD3 ) ( resid 20  and name  HG# ) 2.8 0.6 0.0
assing ( resid 23  and name  HD3 ) ( resid 23  and name  HG# ) 2.8 0.6 0.0
assing ( resid 26  and name  HD3 ) ( resid 26  and name  HG# ) 2.8 0.6 0.0
assing ( resid 29  and name  HD3 ) ( resid 29  and name  HG# ) 2.8 0.6 0.0
assing ( resid 38  and name   HA ) ( resid 69  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 41  and name   HA ) ( resid 72  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 44  and name   HA ) ( resid 75  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 47  and name   HA ) ( resid 78  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 50  and name   HA ) ( resid 81  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 53  and name   HA ) ( resid 84  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 56  and name   HA ) ( resid 87  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 59  and name   HA ) ( resid 90  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 69  and name  HD3 ) ( resid 69  and name  HG# ) 2.8 0.6 0.0
assing ( resid 72  and name  HD3 ) ( resid 72  and name  HG# ) 2.8 0.6 0.0
assing ( resid 75  and name  HD3 ) ( resid 75  and name  HG# ) 2.8 0.6 0.0
assing ( resid 78  and name  HD3 ) ( resid 78  and name  HG# ) 2.8 0.6 0.0
assing ( resid 81  and name  HD3 ) ( resid 81  and name  HG# ) 2.8 0.6 0.0
assing ( resid 84  and name  HD3 ) ( resid 84  and name  HG# ) 2.8 0.6 0.0
assing ( resid 87  and name  HD3 ) ( resid 87  and name  HG# ) 2.8 0.6 0.0
assing ( resid 90  and name  HD3 ) ( resid 90  and name  HG# ) 2.8 0.6 0.0
assing ( resid 93  and name  HD3 ) ( resid 93  and name  HG# ) 2.8 0.6 0.0
assing ( resid  6  and name  HE# ) ( resid  6  and name  HG3 ) 3.5 1.0 0.0
assing ( resid  9  and name  HE# ) ( resid  9  and name  HG3 ) 3.5 1.0 0.0
assing ( resid 12  and name  HE# ) ( resid 12  and name  HG3 ) 3.5 1.0 0.0
assing ( resid 15  and name  HE# ) ( resid 15  and name  HG3 ) 3.5 1.0 0.0
assing ( resid 18  and name  HE# ) ( resid 18  and name  HG3 ) 3.5 1.0 0.0
assing ( resid 21  and name  HE# ) ( resid 21  and name  HG3 ) 3.5 1.0 0.0
assing ( resid 24  and name  HE# ) ( resid 24  and name  HG3 ) 3.5 1.0 0.0
assing ( resid 27  and name  HE# ) ( resid 27  and name  HG3 ) 3.5 1.0 0.0
assing ( resid 38  and name   HA ) ( resid 69  and name  HD2 ) 2.8 0.6 0.0
assing ( resid 41  and name   HA ) ( resid 72  and name  HD2 ) 2.8 0.6 0.0
assing ( resid 44  and name   HA ) ( resid 75  and name  HD2 ) 2.8 0.6 0.0
assing ( resid 47  and name   HA ) ( resid 78  and name  HD2 ) 2.8 0.6 0.0
assing ( resid 50  and name   HA ) ( resid 81  and name  HD2 ) 2.8 0.6 0.0
assing ( resid 53  and name   HA ) ( resid 84  and name  HD2 ) 2.8 0.6 0.0
assing ( resid 56  and name   HA ) ( resid 87  and name  HD2 ) 2.8 0.6 0.0
assing ( resid 59  and name   HA ) ( resid 90  and name  HD2 ) 2.8 0.6 0.0
assing ( resid 69  and name   HA ) ( resid 69  and name  HB2 ) 3.5 1.0 0.0
assing ( resid 72  and name   HA ) ( resid 72  and name  HB2 ) 3.5 1.0 0.0
assing ( resid 75  and name   HA ) ( resid 75  and name  HB2 ) 3.5 1.0 0.0
assing ( resid 78  and name   HA ) ( resid 78  and name  HB2 ) 3.5 1.0 0.0
assing ( resid 81  and name   HA ) ( resid 81  and name  HB2 ) 3.5 1.0 0.0
assing ( resid 84  and name   HA ) ( resid 84  and name  HB2 ) 3.5 1.0 0.0
assing ( resid 87  and name   HA ) ( resid 87  and name  HB2 ) 3.5 1.0 0.0
assing ( resid 90  and name   HA ) ( resid 90  and name  HB2 ) 3.5 1.0 0.0
assing ( resid 93  and name   HA ) ( resid 93  and name  HB2 ) 3.5 1.0 0.0
assing ( resid 70  and name   HA ) ( resid  8  and name  HD2 ) 3.5 1.0 0.0
assing ( resid 73  and name   HA ) ( resid 11  and name  HD2 ) 3.5 1.0 0.0
assing ( resid 76  and name   HA ) ( resid 14  and name  HD2 ) 3.5 1.0 0.0
assing ( resid 79  and name   HA ) ( resid 17  and name  HD2 ) 3.5 1.0 0.0
assing ( resid 82  and name   HA ) ( resid 20  and name  HD2 ) 3.5 1.0 0.0
assing ( resid 85  and name   HA ) ( resid 23  and name  HD2 ) 3.5 1.0 0.0
assing ( resid 88  and name   HA ) ( resid 26  and name  HD2 ) 3.5 1.0 0.0
assing ( resid 91  and name   HA ) ( resid 29  and name  HD2 ) 3.5 1.0 0.0
assing ( resid  6  and name   HA ) ( resid  6  and name  HB2 ) 3.5 1.0 0.0
assing ( resid  9  and name   HA ) ( resid  9  and name  HB2 ) 3.5 1.0 0.0
assing ( resid 12  and name   HA ) ( resid 12  and name  HB2 ) 3.5 1.0 0.0
assing ( resid 15  and name   HA ) ( resid 15  and name  HB2 ) 3.5 1.0 0.0
assing ( resid 18  and name   HA ) ( resid 18  and name  HB2 ) 3.5 1.0 0.0
assing ( resid 21  and name   HA ) ( resid 21  and name  HB2 ) 3.5 1.0 0.0
assing ( resid 24  and name   HA ) ( resid 24  and name  HB2 ) 3.5 1.0 0.0
assing ( resid 27  and name   HA ) ( resid 27  and name  HB2 ) 3.5 1.0 0.0
assing ( resid  5  and name  HD2 ) ( resid  5  and name  HB3 ) 5.0 2.2 0.0
assing ( resid  8  and name  HD2 ) ( resid  8  and name  HB3 ) 5.0 2.2 0.0
assing ( resid 11  and name  HD2 ) ( resid 11  and name  HB3 ) 5.0 2.2 0.0
assing ( resid 14  and name  HD2 ) ( resid 14  and name  HB3 ) 5.0 2.2 0.0
assing ( resid 17  and name  HD2 ) ( resid 17  and name  HB3 ) 5.0 2.2 0.0
assing ( resid 20  and name  HD2 ) ( resid 20  and name  HB3 ) 5.0 2.2 0.0
assing ( resid 23  and name  HD2 ) ( resid 23  and name  HB3 ) 5.0 2.2 0.0
assing ( resid 26  and name  HD2 ) ( resid 26  and name  HB3 ) 5.0 2.2 0.0
assing ( resid 29  and name  HD2 ) ( resid 29  and name  HB3 ) 5.0 2.2 0.0
assing ( resid  6  and name  HE# ) ( resid 39  and name  HA2 ) 5.0 2.2 0.0
assing ( resid  9  and name  HE# ) ( resid 42  and name  HA2 ) 5.0 2.2 0.0
assing ( resid 12  and name  HE# ) ( resid 45  and name  HA2 ) 5.0 2.2 0.0
assing ( resid 15  and name  HE# ) ( resid 48  and name  HA2 ) 5.0 2.2 0.0
assing ( resid 18  and name  HE# ) ( resid 51  and name  HA2 ) 5.0 2.2 0.0
assing ( resid 21  and name  HE# ) ( resid 54  and name  HA2 ) 5.0 2.2 0.0
assing ( resid 24  and name  HE# ) ( resid 57  and name  HA2 ) 5.0 2.2 0.0
assing ( resid 27  and name  HE# ) ( resid 60  and name  HA2 ) 5.0 2.2 0.0
assing ( resid 38  and name  HB3 ) ( resid 69  and name  HD2 ) 5.0 2.2 0.0
assing ( resid 41  and name  HB3 ) ( resid 72  and name  HD2 ) 5.0 2.2 0.0
assing ( resid 44  and name  HB3 ) ( resid 75  and name  HD2 ) 5.0 2.2 0.0
assing ( resid 47  and name  HB3 ) ( resid 78  and name  HD2 ) 5.0 2.2 0.0
assing ( resid 50  and name  HB3 ) ( resid 81  and name  HD2 ) 5.0 2.2 0.0
assing ( resid 53  and name  HB3 ) ( resid 84  and name  HD2 ) 5.0 2.2 0.0
assing ( resid 56  and name  HB3 ) ( resid 87  and name  HD2 ) 5.0 2.2 0.0
assing ( resid 59  and name  HB3 ) ( resid 90  and name  HD2 ) 5.0 2.2 0.0
assing ( resid 69  and name   HA ) ( resid 70  and name  HD3 ) 2.8 0.6 0.0
assing ( resid 72  and name   HA ) ( resid 73  and name  HD3 ) 2.8 0.6 0.0
assing ( resid 75  and name   HA ) ( resid 76  and name  HD3 ) 2.8 0.6 0.0
assing ( resid 78  and name   HA ) ( resid 79  and name  HD3 ) 2.8 0.6 0.0
assing ( resid 81  and name   HA ) ( resid 82  and name  HD3 ) 2.8 0.6 0.0
assing ( resid 84  and name   HA ) ( resid 85  and name  HD3 ) 2.8 0.6 0.0
assing ( resid 87  and name   HA ) ( resid 88  and name  HD3 ) 2.8 0.6 0.0
assing ( resid 90  and name   HA ) ( resid 91  and name  HD3 ) 2.8 0.6 0.0
assing ( resid 69  and name   HA ) ( resid 70  and name  HD2 ) 2.8 0.6 0.0
assing ( resid 72  and name   HA ) ( resid 73  and name  HD2 ) 2.8 0.6 0.0
assing ( resid 75  and name   HA ) ( resid 76  and name  HD2 ) 2.8 0.6 0.0
assing ( resid 78  and name   HA ) ( resid 79  and name  HD2 ) 2.8 0.6 0.0
assing ( resid 81  and name   HA ) ( resid 82  and name  HD2 ) 2.8 0.6 0.0
assing ( resid 84  and name   HA ) ( resid 85  and name  HD2 ) 2.8 0.6 0.0
assing ( resid 87  and name   HA ) ( resid 88  and name  HD2 ) 2.8 0.6 0.0
assing ( resid 90  and name   HA ) ( resid 91  and name  HD2 ) 2.8 0.6 0.0
assing ( resid  6  and name   HA ) ( resid 37  and name  HB2 ) 5.0 2.2 0.0
assing ( resid  9  and name   HA ) ( resid 40  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 12  and name   HA ) ( resid 43  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 15  and name   HA ) ( resid 46  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 18  and name   HA ) ( resid 49  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 21  and name   HA ) ( resid 52  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 24  and name   HA ) ( resid 55  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 27  and name   HA ) ( resid 58  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 37  and name   HA ) ( resid 37  and name  HB3 ) 3.5 1.0 0.0
assing ( resid 40  and name   HA ) ( resid 40  and name  HB3 ) 3.5 1.0 0.0
assing ( resid 43  and name   HA ) ( resid 43  and name  HB3 ) 3.5 1.0 0.0
assing ( resid 46  and name   HA ) ( resid 46  and name  HB3 ) 3.5 1.0 0.0
assing ( resid 49  and name   HA ) ( resid 49  and name  HB3 ) 3.5 1.0 0.0
assing ( resid 52  and name   HA ) ( resid 52  and name  HB3 ) 3.5 1.0 0.0
assing ( resid 55  and name   HA ) ( resid 55  and name  HB3 ) 3.5 1.0 0.0
assing ( resid 58  and name   HA ) ( resid 58  and name  HB3 ) 3.5 1.0 0.0
assing ( resid 61  and name   HA ) ( resid 61  and name  HB3 ) 3.5 1.0 0.0
assing ( resid  6  and name   HA ) ( resid  6  and name  HB3 ) 3.5 1.0 0.0
assing ( resid  9  and name   HA ) ( resid  9  and name  HB3 ) 3.5 1.0 0.0
assing ( resid 12  and name   HA ) ( resid 12  and name  HB3 ) 3.5 1.0 0.0
assing ( resid 15  and name   HA ) ( resid 15  and name  HB3 ) 3.5 1.0 0.0
assing ( resid 18  and name   HA ) ( resid 18  and name  HB3 ) 3.5 1.0 0.0
assing ( resid 21  and name   HA ) ( resid 21  and name  HB3 ) 3.5 1.0 0.0
assing ( resid 24  and name   HA ) ( resid 24  and name  HB3 ) 3.5 1.0 0.0
assing ( resid 27  and name   HA ) ( resid 27  and name  HB3 ) 3.5 1.0 0.0
assing ( resid 37  and name  HB3 ) ( resid 38  and name  HD3 ) 5.0 2.2 0.0
assing ( resid 40  and name  HB3 ) ( resid 41  and name  HD3 ) 5.0 2.2 0.0
assing ( resid 43  and name  HB3 ) ( resid 44  and name  HD3 ) 5.0 2.2 0.0
assing ( resid 46  and name  HB3 ) ( resid 47  and name  HD3 ) 5.0 2.2 0.0
assing ( resid 49  and name  HB3 ) ( resid 50  and name  HD3 ) 5.0 2.2 0.0
assing ( resid 52  and name  HB3 ) ( resid 53  and name  HD3 ) 5.0 2.2 0.0
assing ( resid 55  and name  HB3 ) ( resid 56  and name  HD3 ) 5.0 2.2 0.0
assing ( resid 58  and name  HB3 ) ( resid 59  and name  HD3 ) 5.0 2.2 0.0
assing ( resid  5  and name   HA ) ( resid  5  and name  HB2 ) 2.8 0.6 0.0
assing ( resid  8  and name   HA ) ( resid  8  and name  HB2 ) 2.8 0.6 0.0
assing ( resid 11  and name   HA ) ( resid 11  and name  HB2 ) 2.8 0.6 0.0
assing ( resid 14  and name   HA ) ( resid 14  and name  HB2 ) 2.8 0.6 0.0
assing ( resid 17  and name   HA ) ( resid 17  and name  HB2 ) 2.8 0.6 0.0
assing ( resid 20  and name   HA ) ( resid 20  and name  HB2 ) 2.8 0.6 0.0
assing ( resid 23  and name   HA ) ( resid 23  and name  HB2 ) 2.8 0.6 0.0
assing ( resid 26  and name   HA ) ( resid 26  and name  HB2 ) 2.8 0.6 0.0
assing ( resid 29  and name   HA ) ( resid 29  and name  HB2 ) 2.8 0.6 0.0
assing ( resid 39  and name  HA3 ) ( resid  6  and name  HG3 ) 5.0 2.2 0.0
assing ( resid 42  and name  HA3 ) ( resid  9  and name  HG3 ) 5.0 2.2 0.0
assing ( resid 45  and name  HA3 ) ( resid 12  and name  HG3 ) 5.0 2.2 0.0
assing ( resid 48  and name  HA3 ) ( resid 15  and name  HG3 ) 5.0 2.2 0.0
assing ( resid 51  and name  HA3 ) ( resid 18  and name  HG3 ) 5.0 2.2 0.0
assing ( resid 54  and name  HA3 ) ( resid 21  and name  HG3 ) 5.0 2.2 0.0
assing ( resid 57  and name  HA3 ) ( resid 24  and name  HG3 ) 5.0 2.2 0.0
assing ( resid 60  and name  HA3 ) ( resid 27  and name  HG3 ) 5.0 2.2 0.0
assing ( resid 69  and name  HD2 ) ( resid 69  and name  HG# ) 2.8 0.6 0.0
assing ( resid 72  and name  HD2 ) ( resid 72  and name  HG# ) 2.8 0.6 0.0
assing ( resid 75  and name  HD2 ) ( resid 75  and name  HG# ) 2.8 0.6 0.0
assing ( resid 78  and name  HD2 ) ( resid 78  and name  HG# ) 2.8 0.6 0.0
assing ( resid 81  and name  HD2 ) ( resid 81  and name  HG# ) 2.8 0.6 0.0
assing ( resid 84  and name  HD2 ) ( resid 84  and name  HG# ) 2.8 0.6 0.0
assing ( resid 87  and name  HD2 ) ( resid 87  and name  HG# ) 2.8 0.6 0.0
assing ( resid 90  and name  HD2 ) ( resid 90  and name  HG# ) 2.8 0.6 0.0
assing ( resid 93  and name  HD2 ) ( resid 93  and name  HG# ) 2.8 0.6 0.0
assing ( resid 70  and name   HA ) ( resid  8  and name  HD3 ) 5.0 2.2 0.0
assing ( resid 73  and name   HA ) ( resid 11  and name  HD3 ) 5.0 2.2 0.0
assing ( resid 76  and name   HA ) ( resid 14  and name  HD3 ) 5.0 2.2 0.0
assing ( resid 79  and name   HA ) ( resid 17  and name  HD3 ) 5.0 2.2 0.0
assing ( resid 82  and name   HA ) ( resid 20  and name  HD3 ) 5.0 2.2 0.0
assing ( resid 85  and name   HA ) ( resid 23  and name  HD3 ) 5.0 2.2 0.0
assing ( resid 88  and name   HA ) ( resid 26  and name  HD3 ) 5.0 2.2 0.0
assing ( resid 91  and name   HA ) ( resid 29  and name  HD3 ) 5.0 2.2 0.0
assing ( resid  5  and name  HB3 ) ( resid  5  and name   HA ) 2.8 0.6 0.0
assing ( resid  8  and name  HB3 ) ( resid  8  and name   HA ) 2.8 0.6 0.0
assing ( resid 11  and name  HB3 ) ( resid 11  and name   HA ) 2.8 0.6 0.0
assing ( resid 14  and name  HB3 ) ( resid 14  and name   HA ) 2.8 0.6 0.0
assing ( resid 17  and name  HB3 ) ( resid 17  and name   HA ) 2.8 0.6 0.0
assing ( resid 20  and name  HB3 ) ( resid 20  and name   HA ) 2.8 0.6 0.0
assing ( resid 23  and name  HB3 ) ( resid 23  and name   HA ) 2.8 0.6 0.0
assing ( resid 26  and name  HB3 ) ( resid 26  and name   HA ) 2.8 0.6 0.0
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assing ( resid 91  and name  HB3 ) ( resid 29  and name  HD2 ) 5.0 2.2 0.0
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assing ( resid 41  and name   HA ) ( resid 72  and name  HD3 ) 5.0 2.2 0.0
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assing ( resid 53  and name   HA ) ( resid 84  and name  HD3 ) 5.0 2.2 0.0
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assing ( resid 59  and name   HA ) ( resid 90  and name  HD3 ) 5.0 2.2 0.0
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assing ( resid 47  and name  HB3 ) ( resid 48  and name  HA3 ) 5.0 2.2 0.0
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assing ( resid 53  and name  HB3 ) ( resid 54  and name  HA3 ) 5.0 2.2 0.0
assing ( resid 56  and name  HB3 ) ( resid 57  and name  HA3 ) 5.0 2.2 0.0
assing ( resid 59  and name  HB3 ) ( resid 60  and name  HA3 ) 5.0 2.2 0.0
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assing ( resid 52  and name  HB2 ) ( resid 21  and name  HG3 ) 5.0 2.2 0.0
assing ( resid 55  and name  HB2 ) ( resid 24  and name  HG3 ) 5.0 2.2 0.0
assing ( resid 58  and name  HB2 ) ( resid 27  and name  HG3 ) 5.0 2.2 0.0
assing ( resid  5  and name  HD2 ) ( resid  5  and name  HG# ) 2.8 0.6 0.0
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assing ( resid 14  and name  HD2 ) ( resid 14  and name  HG# ) 2.8 0.6 0.0
assing ( resid 17  and name  HD2 ) ( resid 17  and name  HG# ) 2.8 0.6 0.0
assing ( resid 20  and name  HD2 ) ( resid 20  and name  HG# ) 2.8 0.6 0.0
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assing ( resid 78  and name  HD2 ) ( resid 78  and name  HB3 ) 5.0 2.2 0.0
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assing ( resid 87  and name  HD2 ) ( resid 87  and name  HB3 ) 5.0 2.2 0.0
assing ( resid 90  and name  HD2 ) ( resid 90  and name  HB3 ) 5.0 2.2 0.0
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assing ( resid 58  and name   HA ) ( resid 58  and name  HB2 ) 5.0 2.2 0.0
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assing ( resid 55  and name  HB3 ) ( resid 24  and name  HG3 ) 5.0 2.2 0.0
assing ( resid 58  and name  HB3 ) ( resid 27  and name  HG3 ) 5.0 2.2 0.0
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assing ( resid 49  and name    H ) ( resid 49  and name  HB3 ) 3.5 1.0 0.0
assing ( resid 52  and name    H ) ( resid 52  and name  HB3 ) 3.5 1.0 0.0
assing ( resid 55  and name    H ) ( resid 55  and name  HB3 ) 3.5 1.0 0.0
assing ( resid 58  and name    H ) ( resid 58  and name  HB3 ) 3.5 1.0 0.0
assing ( resid 61  and name    H ) ( resid 61  and name  HB3 ) 3.5 1.0 0.0
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assing ( resid 15  and name    H ) ( resid 14  and name  HB3 ) 5.0 2.2 0.0
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assing ( resid 21  and name    H ) ( resid 20  and name  HB3 ) 5.0 2.2 0.0
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assing ( resid  9  and name    H ) ( resid  9  and name  HB3 ) 2.8 0.6 0.0
assing ( resid 12  and name    H ) ( resid 12  and name  HB3 ) 2.8 0.6 0.0
assing ( resid 15  and name    H ) ( resid 15  and name  HB3 ) 2.8 0.6 0.0
assing ( resid 18  and name    H ) ( resid 18  and name  HB3 ) 2.8 0.6 0.0
assing ( resid 21  and name    H ) ( resid 21  and name  HB3 ) 2.8 0.6 0.0
assing ( resid 24  and name    H ) ( resid 24  and name  HB3 ) 2.8 0.6 0.0
assing ( resid 27  and name    H ) ( resid 27  and name  HB3 ) 2.8 0.6 0.0
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assing ( resid 52  and name    H ) ( resid 18  and name  HG2 ) 5.0 2.2 0.0
assing ( resid 55  and name    H ) ( resid 21  and name  HG2 ) 5.0 2.2 0.0
assing ( resid 58  and name    H ) ( resid 24  and name  HG2 ) 5.0 2.2 0.0
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assing ( resid 68  and name    H ) ( resid 68  and name  HA3 ) 2.8 0.6 0.0
assing ( resid 71  and name    H ) ( resid 71  and name  HA3 ) 2.8 0.6 0.0
assing ( resid 74  and name    H ) ( resid 74  and name  HA3 ) 2.8 0.6 0.0
assing ( resid 77  and name    H ) ( resid 77  and name  HA3 ) 2.8 0.6 0.0
assing ( resid 80  and name    H ) ( resid 80  and name  HA3 ) 2.8 0.6 0.0
assing ( resid 83  and name    H ) ( resid 83  and name  HA3 ) 2.8 0.6 0.0
assing ( resid 86  and name    H ) ( resid 86  and name  HA3 ) 2.8 0.6 0.0
assing ( resid 89  and name    H ) ( resid 89  and name  HA3 ) 2.8 0.6 0.0
assing ( resid 92  and name    H ) ( resid 92  and name  HA3 ) 2.8 0.6 0.0
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assing ( resid 58  and name    H ) ( resid 27  and name  HG3 ) 5.0 2.2 0.0
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assing ( resid 10  and name    H ) ( resid 42  and name  HA2 ) 5.0 2.2 0.0
assing ( resid 13  and name    H ) ( resid 45  and name  HA2 ) 5.0 2.2 0.0
assing ( resid 16  and name    H ) ( resid 48  and name  HA2 ) 5.0 2.2 0.0
assing ( resid 19  and name    H ) ( resid 51  and name  HA2 ) 5.0 2.2 0.0
assing ( resid 22  and name    H ) ( resid 54  and name  HA2 ) 5.0 2.2 0.0
assing ( resid 25  and name    H ) ( resid 57  and name  HA2 ) 5.0 2.2 0.0
assing ( resid 28  and name    H ) ( resid 60  and name  HA2 ) 5.0 2.2 0.0
assing ( resid 37  and name    H ) ( resid 37  and name  HB2 ) 2.8 0.6 0.0
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assing ( resid 43  and name    H ) ( resid 43  and name  HB2 ) 2.8 0.6 0.0
assing ( resid 46  and name    H ) ( resid 46  and name  HB2 ) 2.8 0.6 0.0
assing ( resid 49  and name    H ) ( resid 49  and name  HB2 ) 2.8 0.6 0.0
assing ( resid 52  and name    H ) ( resid 52  and name  HB2 ) 2.8 0.6 0.0
assing ( resid 55  and name    H ) ( resid 55  and name  HB2 ) 2.8 0.6 0.0
assing ( resid 58  and name    H ) ( resid 58  and name  HB2 ) 2.8 0.6 0.0
assing ( resid 61  and name    H ) ( resid 61  and name  HB2 ) 2.8 0.6 0.0
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assing ( resid 13  and name    H ) ( resid 45  and name    H ) 5.0 2.2 0.0
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assing ( resid 19  and name    H ) ( resid 51  and name    H ) 5.0 2.2 0.0
assing ( resid 22  and name    H ) ( resid 54  and name    H ) 5.0 2.2 0.0
assing ( resid 25  and name    H ) ( resid 57  and name    H ) 5.0 2.2 0.0
assing ( resid 28  and name    H ) ( resid 60  and name    H ) 5.0 2.2 0.0
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assing ( resid 54  and name    H ) ( resid 53  and name  HB2 ) 5.0 2.2 0.0
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assing ( resid 60  and name    H ) ( resid 59  and name  HB2 ) 5.0 2.2 0.0
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assing ( resid 10  and name    H ) ( resid 10  and name  HA2 ) 3.5 1.0 0.0
assing ( resid 13  and name    H ) ( resid 13  and name  HA2 ) 3.5 1.0 0.0
assing ( resid 16  and name    H ) ( resid 16  and name  HA2 ) 3.5 1.0 0.0
assing ( resid 19  and name    H ) ( resid 19  and name  HA2 ) 3.5 1.0 0.0
assing ( resid 22  and name    H ) ( resid 22  and name  HA2 ) 3.5 1.0 0.0
assing ( resid 25  and name    H ) ( resid 25  and name  HA2 ) 3.5 1.0 0.0
assing ( resid 28  and name    H ) ( resid 28  and name  HA2 ) 3.5 1.0 0.0
assing ( resid 37  and name    H ) ( resid 37  and name   HA ) 5.0 2.2 0.0
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assing ( resid 43  and name    H ) ( resid 43  and name   HA ) 5.0 2.2 0.0
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assing ( resid 49  and name    H ) ( resid 49  and name   HA ) 5.0 2.2 0.0
assing ( resid 52  and name    H ) ( resid 52  and name   HA ) 5.0 2.2 0.0
assing ( resid 55  and name    H ) ( resid 55  and name   HA ) 5.0 2.2 0.0
assing ( resid 58  and name    H ) ( resid 58  and name   HA ) 5.0 2.2 0.0
assing ( resid 61  and name    H ) ( resid 61  and name   HA ) 5.0 2.2 0.0
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assing ( resid 12  and name    H ) ( resid 11  and name  HG# ) 5.0 2.2 0.0
assing ( resid 15  and name    H ) ( resid 14  and name  HG# ) 5.0 2.2 0.0
assing ( resid 18  and name    H ) ( resid 17  and name  HG# ) 5.0 2.2 0.0
assing ( resid 21  and name    H ) ( resid 20  and name  HG# ) 5.0 2.2 0.0
assing ( resid 24  and name    H ) ( resid 23  and name  HG# ) 5.0 2.2 0.0
assing ( resid 27  and name    H ) ( resid 26  and name  HG# ) 5.0 2.2 0.0
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assing ( resid 43  and name    H ) ( resid 12  and name    H ) 5.0 2.2 0.0
assing ( resid 46  and name    H ) ( resid 15  and name    H ) 5.0 2.2 0.0
assing ( resid 49  and name    H ) ( resid 18  and name    H ) 5.0 2.2 0.0
assing ( resid 52  and name    H ) ( resid 21  and name    H ) 5.0 2.2 0.0
assing ( resid 55  and name    H ) ( resid 24  and name    H ) 5.0 2.2 0.0
assing ( resid 58  and name    H ) ( resid 27  and name    H ) 5.0 2.2 0.0
assing ( resid 68  and name    H ) ( resid 36  and name  HA2 ) 5.0 2.2 0.0
assing ( resid 71  and name    H ) ( resid 39  and name  HA2 ) 5.0 2.2 0.0
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assing ( resid 80  and name    H ) ( resid 48  and name  HA2 ) 5.0 2.2 0.0
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assing ( resid 86  and name    H ) ( resid 54  and name  HA2 ) 5.0 2.2 0.0
assing ( resid 89  and name    H ) ( resid 57  and name  HA2 ) 5.0 2.2 0.0
assing ( resid 92  and name    H ) ( resid 60  and name  HA2 ) 5.0 2.2 0.0
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assing ( resid 12  and name    H ) ( resid 12  and name  HB2 ) 2.8 0.6 0.0
assing ( resid 15  and name    H ) ( resid 15  and name  HB2 ) 2.8 0.6 0.0
assing ( resid 18  and name    H ) ( resid 18  and name  HB2 ) 2.8 0.6 0.0
assing ( resid 21  and name    H ) ( resid 21  and name  HB2 ) 2.8 0.6 0.0
assing ( resid 24  and name    H ) ( resid 24  and name  HB2 ) 2.8 0.6 0.0
assing ( resid 27  and name    H ) ( resid 27  and name  HB2 ) 2.8 0.6 0.0
assing ( resid  6  and name    H ) ( resid  6  and name  HG3 ) 5.0 2.2 0.0
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assing ( resid 12  and name    H ) ( resid 12  and name  HG3 ) 5.0 2.2 0.0
assing ( resid 15  and name    H ) ( resid 15  and name  HG3 ) 5.0 2.2 0.0
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assing ( resid 55  and name    H ) ( resid 54  and name  HA3 ) 2.8 0.6 0.0
assing ( resid 58  and name    H ) ( resid 57  and name  HA3 ) 2.8 0.6 0.0
assing ( resid 61  and name    H ) ( resid 60  and name  HA3 ) 2.8 0.6 0.0
assing ( resid 68  and name    H ) ( resid  5  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 71  and name    H ) ( resid  8  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 74  and name    H ) ( resid 11  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 77  and name    H ) ( resid 14  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 80  and name    H ) ( resid 17  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 83  and name    H ) ( resid 20  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 86  and name    H ) ( resid 23  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 89  and name    H ) ( resid 26  and name  HB2 ) 5.0 2.2 0.0
assing ( resid 92  and name    H ) ( resid 29  and name  HB2 ) 5.0 2.2 0.0
assing ( resid  5  and name    c ) ( resid  6  and name    n ) 
       ( resid  6  and name   ca ) ( resid  6  and name    c )  1.0 -63.0 20.0  2
assing ( resid  8  and name    c ) ( resid  9  and name    n ) 
       ( resid  9  and name   ca ) ( resid  9  and name    c )  1.0 -63.0 20.0  2
assing ( resid 11  and name    c ) ( resid 12  and name    n ) 
       ( resid 12  and name   ca ) ( resid 12  and name    c )  1.0 -63.0 20.0  2
assing ( resid 14  and name    c ) ( resid 15  and name    n ) 
       ( resid 15  and name   ca ) ( resid 15  and name    c )  1.0 -63.0 20.0  2
assing ( resid 17  and name    c ) ( resid 18  and name    n ) 
       ( resid 18  and name   ca ) ( resid 18  and name    c )  1.0 -63.0 20.0  2
assing ( resid 20  and name    c ) ( resid 21  and name    n ) 
       ( resid 21  and name   ca ) ( resid 21  and name    c )  1.0 -63.0 20.0  2
assing ( resid 23  and name    c ) ( resid 24  and name    n ) 
       ( resid 24  and name   ca ) ( resid 24  and name    c )  1.0 -63.0 20.0  2
assing ( resid 26  and name    c ) ( resid 27  and name    n ) 
       ( resid 27  and name   ca ) ( resid 27  and name    c )  1.0 -63.0 20.0  2
assing ( resid  6  and name    c ) ( resid  7  and name    n ) 
       ( resid  7  and name   ca ) ( resid  7  and name    c )  1.0 -80.0 30.0  2
assing ( resid  9  and name    c ) ( resid 10  and name    n ) 
       ( resid 10  and name   ca ) ( resid 10  and name    c )  1.0 -80.0 30.0  2
assing ( resid 12  and name    c ) ( resid 13  and name    n ) 
       ( resid 13  and name   ca ) ( resid 13  and name    c )  1.0 -80.0 30.0  2
assing ( resid 15  and name    c ) ( resid 16  and name    n ) 
       ( resid 16  and name   ca ) ( resid 16  and name    c )  1.0 -80.0 30.0  2
assing ( resid 18  and name    c ) ( resid 19  and name    n ) 
       ( resid 19  and name   ca ) ( resid 19  and name    c )  1.0 -80.0 30.0  2
assing ( resid 21  and name    c ) ( resid 22  and name    n ) 
       ( resid 22  and name   ca ) ( resid 22  and name    c )  1.0 -80.0 30.0  2
assing ( resid 24  and name    c ) ( resid 25  and name    n ) 
       ( resid 25  and name   ca ) ( resid 25  and name    c )  1.0 -80.0 30.0  2
assing ( resid 27  and name    c ) ( resid 28  and name    n ) 
       ( resid 28  and name   ca ) ( resid 28  and name    c )  1.0 -80.0 30.0  2
assing ( resid 38  and name    c ) ( resid 39  and name    n ) 
       ( resid 39  and name   ca ) ( resid 39  and name    c )  1.0 -80.0 40.0  2
assing ( resid 41  and name    c ) ( resid 42  and name    n ) 
       ( resid 42  and name   ca ) ( resid 42  and name    c )  1.0 -80.0 40.0  2
assing ( resid 44  and name    c ) ( resid 45  and name    n ) 
       ( resid 45  and name   ca ) ( resid 45  and name    c )  1.0 -80.0 40.0  2
assing ( resid 47  and name    c ) ( resid 48  and name    n ) 
       ( resid 48  and name   ca ) ( resid 48  and name    c )  1.0 -80.0 40.0  2
assing ( resid 50  and name    c ) ( resid 51  and name    n ) 
       ( resid 51  and name   ca ) ( resid 51  and name    c )  1.0 -80.0 40.0  2
assing ( resid 53  and name    c ) ( resid 54  and name    n ) 
       ( resid 54  and name   ca ) ( resid 54  and name    c )  1.0 -80.0 40.0  2
assing ( resid 56  and name    c ) ( resid 57  and name    n ) 
       ( resid 57  and name   ca ) ( resid 57  and name    c )  1.0 -80.0 40.0  2
assing ( resid 59  and name    c ) ( resid 60  and name    n ) 
       ( resid 60  and name   ca ) ( resid 60  and name    c )  1.0 -80.0 40.0  2
assing ( resid 36  and name    c ) ( resid 37  and name    n ) 
       ( resid 37  and name   ca ) ( resid 37  and name    c )  1.0 -72.0 20.0  2
assing ( resid 39  and name    c ) ( resid 40  and name    n ) 
       ( resid 40  and name   ca ) ( resid 40  and name    c )  1.0 -72.0 20.0  2
assing ( resid 42  and name    c ) ( resid 43  and name    n ) 
       ( resid 43  and name   ca ) ( resid 43  and name    c )  1.0 -72.0 20.0  2
assing ( resid 45  and name    c ) ( resid 46  and name    n ) 
       ( resid 46  and name   ca ) ( resid 46  and name    c )  1.0 -72.0 20.0  2
assing ( resid 48  and name    c ) ( resid 49  and name    n ) 
       ( resid 49  and name   ca ) ( resid 49  and name    c )  1.0 -72.0 20.0  2
assing ( resid 51  and name    c ) ( resid 52  and name    n ) 
       ( resid 52  and name   ca ) ( resid 52  and name    c )  1.0 -72.0 20.0  2
assing ( resid 54  and name    c ) ( resid 55  and name    n ) 
       ( resid 55  and name   ca ) ( resid 55  and name    c )  1.0 -72.0 20.0  2
assing ( resid 57  and name    c ) ( resid 58  and name    n ) 
       ( resid 58  and name   ca ) ( resid 58  and name    c )  1.0 -72.0 20.0  2
assing ( resid 70  and name    c ) ( resid 71  and name    n ) 
       ( resid 71  and name   ca ) ( resid 71  and name    c )  1.0 -79.0 30.0  2
assing ( resid 73  and name    c ) ( resid 74  and name    n ) 
       ( resid 74  and name   ca ) ( resid 74  and name    c )  1.0 -79.0 30.0  2
assing ( resid 76  and name    c ) ( resid 77  and name    n ) 
       ( resid 77  and name   ca ) ( resid 77  and name    c )  1.0 -79.0 30.0  2
assing ( resid 79  and name    c ) ( resid 80  and name    n ) 
       ( resid 80  and name   ca ) ( resid 80  and name    c )  1.0 -79.0 30.0  2
assing ( resid 82  and name    c ) ( resid 83  and name    n ) 
       ( resid 83  and name   ca ) ( resid 83  and name    c )  1.0 -79.0 30.0  2
assing ( resid 85  and name    c ) ( resid 86  and name    n ) 
       ( resid 86  and name   ca ) ( resid 86  and name    c )  1.0 -79.0 30.0  2
assing ( resid 88  and name    c ) ( resid 89  and name    n ) 
       ( resid 89  and name   ca ) ( resid 89  and name    c )  1.0 -79.0 30.0  2
assing ( resid 91  and name    c ) ( resid 92  and name    n ) 
       ( resid 92  and name   ca ) ( resid 92  and name    c )  1.0 -79.0 30.0  2
assing ( resid 38  and name    n ) ( resid 38  and name   ca ) 
       ( resid 38  and name   cb ) ( resid 38  and name   cg )  1.0 -6.0 30.0  2
assing ( resid 41  and name    n ) ( resid 41  and name   ca ) 
       ( resid 41  and name   cb ) ( resid 41  and name   cg )  1.0 -6.0 30.0  2
assing ( resid 44  and name    n ) ( resid 44  and name   ca ) 
       ( resid 44  and name   cb ) ( resid 44  and name   cg )  1.0 -6.0 30.0  2
assing ( resid 47  and name    n ) ( resid 47  and name   ca ) 
       ( resid 47  and name   cb ) ( resid 47  and name   cg )  1.0 -6.0 30.0  2
assing ( resid 50  and name    n ) ( resid 50  and name   ca ) 
       ( resid 50  and name   cb ) ( resid 50  and name   cg )  1.0 -6.0 30.0  2
assing ( resid 53  and name    n ) ( resid 53  and name   ca ) 
       ( resid 53  and name   cb ) ( resid 53  and name   cg )  1.0 -6.0 30.0  2
assing ( resid 56  and name    n ) ( resid 56  and name   ca ) 
       ( resid 56  and name   cb ) ( resid 56  and name   cg )  1.0 -6.0 30.0  2
assing ( resid 59  and name    n ) ( resid 59  and name   ca ) 
       ( resid 59  and name   cb ) ( resid 59  and name   cg )  1.0 -6.0 30.0  2
assing ( resid 69  and name    n ) ( resid 69  and name   ca ) 
       ( resid 69  and name   cb ) ( resid 69  and name   cg )  1.0 19.0 30.0  2
assing ( resid 72  and name    n ) ( resid 72  and name   ca ) 
       ( resid 72  and name   cb ) ( resid 72  and name   cg )  1.0 19.0 30.0  2
assing ( resid 75  and name    n ) ( resid 75  and name   ca ) 
       ( resid 75  and name   cb ) ( resid 75  and name   cg )  1.0 19.0 30.0  2
assing ( resid 78  and name    n ) ( resid 78  and name   ca ) 
       ( resid 78  and name   cb ) ( resid 78  and name   cg )  1.0 19.0 30.0  2
assing ( resid 81  and name    n ) ( resid 81  and name   ca ) 
       ( resid 81  and name   cb ) ( resid 81  and name   cg )  1.0 19.0 30.0  2
assing ( resid 84  and name    n ) ( resid 84  and name   ca ) 
       ( resid 84  and name   cb ) ( resid 84  and name   cg )  1.0 19.0 30.0  2
assing ( resid 87  and name    n ) ( resid 87  and name   ca ) 
       ( resid 87  and name   cb ) ( resid 87  and name   cg )  1.0 19.0 30.0  2
assing ( resid 90  and name    n ) ( resid 90  and name   ca ) 
       ( resid 90  and name   cb ) ( resid 90  and name   cg )  1.0 19.0 30.0  2
assing ( resid 70  and name    n ) ( resid 70  and name   ca ) 
       ( resid 70  and name   cb ) ( resid 70  and name   cg )  1.0 -6.0 30.0  2
assing ( resid 73  and name    n ) ( resid 73  and name   ca ) 
       ( resid 73  and name   cb ) ( resid 73  and name   cg )  1.0 -6.0 30.0  2
assing ( resid 76  and name    n ) ( resid 76  and name   ca ) 
       ( resid 76  and name   cb ) ( resid 76  and name   cg )  1.0 -6.0 30.0  2
assing ( resid 79  and name    n ) ( resid 79  and name   ca ) 
       ( resid 79  and name   cb ) ( resid 79  and name   cg )  1.0 -6.0 30.0  2
assing ( resid 82  and name    n ) ( resid 82  and name   ca ) 
       ( resid 82  and name   cb ) ( resid 82  and name   cg )  1.0 -6.0 30.0  2
assing ( resid 85  and name    n ) ( resid 85  and name   ca ) 
       ( resid 85  and name   cb ) ( resid 85  and name   cg )  1.0 -6.0 30.0  2
assing ( resid 88  and name    n ) ( resid 88  and name   ca ) 
       ( resid 88  and name   cb ) ( resid 88  and name   cg )  1.0 -6.0 30.0  2
assing ( resid 91  and name    n ) ( resid 91  and name   ca ) 
       ( resid 91  and name   cb ) ( resid 91  and name   cg )  1.0 -6.0 30.0  2
assing ( resid  5  and name    n ) ( resid  5  and name   ca ) 
       ( resid  5  and name   cb ) ( resid  5  and name   cg )  1.0 19.0 30.0  2
assing ( resid  8  and name    n ) ( resid  8  and name   ca ) 
       ( resid  8  and name   cb ) ( resid  8  and name   cg )  1.0 19.0 30.0  2
assing ( resid 11  and name    n ) ( resid 11  and name   ca ) 
       ( resid 11  and name   cb ) ( resid 11  and name   cg )  1.0 19.0 30.0  2
assing ( resid 14  and name    n ) ( resid 14  and name   ca ) 
       ( resid 14  and name   cb ) ( resid 14  and name   cg )  1.0 19.0 30.0  2
assing ( resid 17  and name    n ) ( resid 17  and name   ca ) 
       ( resid 17  and name   cb ) ( resid 17  and name   cg )  1.0 19.0 30.0  2
assing ( resid 20  and name    n ) ( resid 20  and name   ca ) 
       ( resid 20  and name   cb ) ( resid 20  and name   cg )  1.0 19.0 30.0  2
assing ( resid 23  and name    n ) ( resid 23  and name   ca ) 
       ( resid 23  and name   cb ) ( resid 23  and name   cg )  1.0 19.0 30.0  2
assing ( resid 26  and name    n ) ( resid 26  and name   ca ) 
       ( resid 26  and name   cb ) ( resid 26  and name   cg )  1.0 19.0 30.0  2
assing ( resid  4  and name    c ) ( resid  5  and name    n ) 
       ( resid  5  and name   ca ) ( resid  5  and name    c )  1.0 -72.0 20.0  2
assing ( resid  7  and name    c ) ( resid  8  and name    n ) 
       ( resid  8  and name   ca ) ( resid  8  and name    c )  1.0 -72.0 20.0  2
assing ( resid 10  and name    c ) ( resid 11  and name    n ) 
       ( resid 11  and name   ca ) ( resid 11  and name    c )  1.0 -72.0 20.0  2
assing ( resid 13  and name    c ) ( resid 14  and name    n ) 
       ( resid 14  and name   ca ) ( resid 14  and name    c )  1.0 -72.0 20.0  2
assing ( resid 16  and name    c ) ( resid 17  and name    n ) 
       ( resid 17  and name   ca ) ( resid 17  and name    c )  1.0 -72.0 20.0  2
assing ( resid 19  and name    c ) ( resid 20  and name    n ) 
       ( resid 20  and name   ca ) ( resid 20  and name    c )  1.0 -72.0 20.0  2
assing ( resid 22  and name    c ) ( resid 23  and name    n ) 
       ( resid 23  and name   ca ) ( resid 23  and name    c )  1.0 -72.0 20.0  2
assing ( resid 25  and name    c ) ( resid 26  and name    n ) 
       ( resid 26  and name   ca ) ( resid 26  and name    c )  1.0 -72.0 20.0  2
assing ( resid 68  and name    c ) ( resid 69  and name    n ) 
       ( resid 69  and name   ca ) ( resid 69  and name    c )  1.0 -72.0 20.0  2
assing ( resid 71  and name    c ) ( resid 72  and name    n ) 
       ( resid 72  and name   ca ) ( resid 72  and name    c )  1.0 -72.0 20.0  2
assing ( resid 74  and name    c ) ( resid 75  and name    n ) 
       ( resid 75  and name   ca ) ( resid 75  and name    c )  1.0 -72.0 20.0  2
assing ( resid 77  and name    c ) ( resid 78  and name    n ) 
       ( resid 78  and name   ca ) ( resid 78  and name    c )  1.0 -72.0 20.0  2
assing ( resid 80  and name    c ) ( resid 81  and name    n ) 
       ( resid 81  and name   ca ) ( resid 81  and name    c )  1.0 -72.0 20.0  2
assing ( resid 83  and name    c ) ( resid 84  and name    n ) 
       ( resid 84  and name   ca ) ( resid 84  and name    c )  1.0 -72.0 20.0  2
assing ( resid 86  and name    c ) ( resid 87  and name    n ) 
       ( resid 87  and name   ca ) ( resid 87  and name    c )  1.0 -72.0 20.0  2
assing ( resid 89  and name    c ) ( resid 90  and name    n ) 
       ( resid 90  and name   ca ) ( resid 90  and name    c )  1.0 -72.0 20.0  2
assing ( resid 69  and name    c ) ( resid 70  and name    n ) 
       ( resid 70  and name   ca ) ( resid 70  and name    c )  1.0 -58.0 20.0  2
assing ( resid 72  and name    c ) ( resid 73  and name    n ) 
       ( resid 73  and name   ca ) ( resid 73  and name    c )  1.0 -58.0 20.0  2
assing ( resid 75  and name    c ) ( resid 76  and name    n ) 
       ( resid 76  and name   ca ) ( resid 76  and name    c )  1.0 -58.0 20.0  2
assing ( resid 78  and name    c ) ( resid 79  and name    n ) 
       ( resid 79  and name   ca ) ( resid 79  and name    c )  1.0 -58.0 20.0  2
assing ( resid 81  and name    c ) ( resid 82  and name    n ) 
       ( resid 82  and name   ca ) ( resid 82  and name    c )  1.0 -58.0 20.0  2
assing ( resid 84  and name    c ) ( resid 85  and name    n ) 
       ( resid 85  and name   ca ) ( resid 85  and name    c )  1.0 -58.0 20.0  2
assing ( resid 87  and name    c ) ( resid 88  and name    n ) 
       ( resid 88  and name   ca ) ( resid 88  and name    c )  1.0 -58.0 20.0  2
assing ( resid 90  and name    c ) ( resid 91  and name    n ) 
       ( resid 91  and name   ca ) ( resid 91  and name    c )  1.0 -58.0 20.0  2
assing ( resid 37  and name    c ) ( resid 38  and name    n ) 
       ( resid 38  and name   ca ) ( resid 38  and name    c )  1.0 -58.0 20.0  2
assing ( resid 40  and name    c ) ( resid 41  and name    n ) 
       ( resid 41  and name   ca ) ( resid 41  and name    c )  1.0 -58.0 20.0  2
assing ( resid 43  and name    c ) ( resid 44  and name    n ) 
       ( resid 44  and name   ca ) ( resid 44  and name    c )  1.0 -58.0 20.0  2
assing ( resid 46  and name    c ) ( resid 47  and name    n ) 
       ( resid 47  and name   ca ) ( resid 47  and name    c )  1.0 -58.0 20.0  2
assing ( resid 49  and name    c ) ( resid 50  and name    n ) 
       ( resid 50  and name   ca ) ( resid 50  and name    c )  1.0 -58.0 20.0  2
assing ( resid 52  and name    c ) ( resid 53  and name    n ) 
       ( resid 53  and name   ca ) ( resid 53  and name    c )  1.0 -58.0 20.0  2
assing ( resid 55  and name    c ) ( resid 56  and name    n ) 
       ( resid 56  and name   ca ) ( resid 56  and name    c )  1.0 -58.0 20.0  2
assing ( resid 58  and name    c ) ( resid 59  and name    n ) 
       ( resid 59  and name   ca ) ( resid 59  and name    c )  1.0 -58.0 20.0  2
assing ( resid 37  and name    n ) ( resid 37  and name   ca ) 
       ( resid 37  and name   cb ) ( resid 37  and name   cg )  1.0 -60.0 40.0  2
assing ( resid 40  and name    n ) ( resid 40  and name   ca ) 
       ( resid 40  and name   cb ) ( resid 40  and name   cg )  1.0 -60.0 40.0  2
assing ( resid 43  and name    n ) ( resid 43  and name   ca ) 
       ( resid 43  and name   cb ) ( resid 43  and name   cg )  1.0 -60.0 40.0  2
assing ( resid 46  and name    n ) ( resid 46  and name   ca ) 
       ( resid 46  and name   cb ) ( resid 46  and name   cg )  1.0 -60.0 40.0  2
assing ( resid 49  and name    n ) ( resid 49  and name   ca ) 
       ( resid 49  and name   cb ) ( resid 49  and name   cg )  1.0 -60.0 40.0  2
assing ( resid 52  and name    n ) ( resid 52  and name   ca ) 
       ( resid 52  and name   cb ) ( resid 52  and name   cg )  1.0 -60.0 40.0  2
assing ( resid 55  and name    n ) ( resid 55  and name   ca ) 
       ( resid 55  and name   cb ) ( resid 55  and name   cg )  1.0 -60.0 40.0  2
assing ( resid 58  and name    n ) ( resid 58  and name   ca ) 
       ( resid 58  and name   cb ) ( resid 58  and name   cg )  1.0 -60.0 40.0  2
assing ( resid  6  and name    n ) ( resid  6  and name   ca ) 
       ( resid  6  and name   cb ) ( resid  6  and name   cg )  1.0 180.0 40.0  2
assing ( resid  9  and name    n ) ( resid  9  and name   ca ) 
       ( resid  9  and name   cb ) ( resid  9  and name   cg )  1.0 180.0 40.0  2
assing ( resid 12  and name    n ) ( resid 12  and name   ca ) 
       ( resid 12  and name   cb ) ( resid 12  and name   cg )  1.0 180.0 40.0  2
assing ( resid 15  and name    n ) ( resid 15  and name   ca ) 
       ( resid 15  and name   cb ) ( resid 15  and name   cg )  1.0 180.0 40.0  2
assing ( resid 18  and name    n ) ( resid 18  and name   ca ) 
       ( resid 18  and name   cb ) ( resid 18  and name   cg )  1.0 180.0 40.0  2
assing ( resid 21  and name    n ) ( resid 21  and name   ca ) 
       ( resid 21  and name   cb ) ( resid 21  and name   cg )  1.0 180.0 40.0  2
assing ( resid 24  and name    n ) ( resid 24  and name   ca ) 
       ( resid 24  and name   cb ) ( resid 24  and name   cg )  1.0 180.0 40.0  2
assing ( resid 27  and name    n ) ( resid 27  and name   ca ) 
       ( resid 27  and name   cb ) ( resid 27  and name   cg )  1.0 180.0 40.0  2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   1           H1       ACE   1  71.424   6.959   2.956
    2    H2   ACE   1           H2       ACE   1  71.108   8.510   2.154
    3    H3   ACE   1           H3       ACE   1  72.543   8.321   3.190
    4    HA   PRO   2           HA       PRO   2  73.479   7.269  -1.322
    5    HB2  PRO   2           HB3      PRO   2  74.949   9.431  -2.124
    6    HB3  PRO   2           HB2      PRO   2  73.162   9.434  -2.086
    7    HG2  PRO   2           HG2      PRO   2  75.065  10.499   0.033
    8    HG3  PRO   2           HG3      PRO   2  73.668  11.335  -0.718
    9    HD2  PRO   2           HD2      PRO   2  73.468  10.050   1.679
   10    HD3  PRO   2           HD3      PRO   2  72.124  10.036   0.498
   11    H    LYS   3           H        LYS   3  75.359   7.700   1.487
   12    HA   LYS   3           HA       LYS   3  77.855   6.636   0.219
   13    HB2  LYS   3           HB2      LYS   3  77.624   9.089   2.025
   14    HB3  LYS   3           HB3      LYS   3  79.144   8.307   1.596
   15    HG2  LYS   3           HG2      LYS   3  78.663   8.759  -0.833
   16    HG3  LYS   3           HG3      LYS   3  77.222   9.647  -0.340
   17    HD2  LYS   3           HD2      LYS   3  78.886  11.300  -0.693
   18    HD3  LYS   3           HD3      LYS   3  78.667  11.163   1.047
   19    HE2  LYS   3           HE2      LYS   3  81.007  11.347   0.696
   20    HE3  LYS   3           HE3      LYS   3  80.722   9.660   1.120
   21    HZ1  LYS   3           HZ1      LYS   3  80.823   9.154  -1.305
   22    HZ2  LYS   3           HZ2      LYS   3  81.152  10.726  -1.628
   23    HZ3  LYS   3           HZ3      LYS   3  82.219   9.822  -0.777
   24    H    GLY   4           H        GLY   4  79.492   6.108   1.753
   25    HA2  GLY   4           HA2      GLY   4  78.773   5.167   4.457
   26    HA3  GLY   4           HA3      GLY   4  79.269   3.951   3.272
   27    HA   PRO   5           HA       PRO   5  82.800   5.930   5.668
   28    HB2  PRO   5           HB2      PRO   5  84.057   3.621   6.575
   29    HB3  PRO   5           HB3      PRO   5  82.742   4.493   7.414
   30    HG2  PRO   5           HG2      PRO   5  82.531   2.059   5.635
   31    HG3  PRO   5           HG3      PRO   5  81.729   2.363   7.204
   32    HD2  PRO   5           HD2      PRO   5  80.443   2.732   4.838
   33    HD3  PRO   5           HD3      PRO   5  80.163   3.829   6.223
   34    H    LYS   6           H        LYS   6  84.560   6.637   4.699
   35    HA   LYS   6           HA       LYS   6  85.751   5.631   2.297
   36    HB2  LYS   6           HB2      LYS   6  85.936   8.014   3.034
   37    HB3  LYS   6           HB3      LYS   6  86.744   7.512   4.510
   38    HG2  LYS   6           HG2      LYS   6  88.734   6.883   3.372
   39    HG3  LYS   6           HG3      LYS   6  87.965   6.992   1.779
   40    HD2  LYS   6           HD2      LYS   6  87.782   9.373   1.913
   41    HD3  LYS   6           HD3      LYS   6  88.245   9.411   3.618
   42    HE2  LYS   6           HE2      LYS   6  90.098   8.346   1.440
   43    HE3  LYS   6           HE3      LYS   6  90.018  10.063   1.844
   44    HZ1  LYS   6           HZ1      LYS   6  90.723   7.936   3.801
   45    HZ2  LYS   6           HZ2      LYS   6  91.790   8.949   3.073
   46    HZ3  LYS   6           HZ3      LYS   6  90.674   9.547   4.108
   47    H    GLY   7           H        GLY   7  87.595   4.510   1.860
   48    HA2  GLY   7           HA2      GLY   7  88.172   2.307   3.590
   49    HA3  GLY   7           HA3      GLY   7  88.982   2.678   2.073
   50    HA   PRO   8           HA       PRO   8  91.741   3.623   5.842
   51    HB2  PRO   8           HB2      PRO   8  93.108   1.301   6.283
   52    HB3  PRO   8           HB3      PRO   8  91.470   1.598   6.941
   53    HG2  PRO   8           HG2      PRO   8  92.200   0.125   4.385
   54    HG3  PRO   8           HG3      PRO   8  91.153  -0.454   5.726
   55    HD2  PRO   8           HD2      PRO   8  90.063   0.688   3.522
   56    HD3  PRO   8           HD3      PRO   8  89.421   1.047   5.145
   57    H    LYS   9           H        LYS   9  93.991   3.994   5.892
   58    HA   LYS   9           HA       LYS   9  95.375   4.456   3.417
   59    HB2  LYS   9           HB2      LYS   9  95.666   5.752   5.535
   60    HB3  LYS   9           HB3      LYS   9  96.395   4.331   6.289
   61    HG2  LYS   9           HG2      LYS   9  98.270   4.422   4.688
   62    HG3  LYS   9           HG3      LYS   9  97.533   5.811   3.871
   63    HD2  LYS   9           HD2      LYS   9  97.804   7.185   5.885
   64    HD3  LYS   9           HD3      LYS   9  98.280   5.767   6.824
   65    HE2  LYS   9           HE2      LYS   9 100.278   6.938   6.390
   66    HE3  LYS   9           HE3      LYS   9 100.306   5.491   5.385
   67    HZ1  LYS   9           HZ1      LYS   9  99.607   8.224   4.430
   68    HZ2  LYS   9           HZ2      LYS   9 101.053   7.477   4.225
   69    HZ3  LYS   9           HZ3      LYS   9  99.708   6.888   3.465
   70    H    GLY  10           H        GLY  10  97.000   3.392   2.384
   71    HA2  GLY  10           HA2      GLY  10  97.285   0.523   2.745
   72    HA3  GLY  10           HA3      GLY  10  98.137   1.523   1.577
   73    HA   PRO  11           HA       PRO  11 100.876   0.249   5.266
   74    HB2  PRO  11           HB2      PRO  11 102.221  -1.945   4.355
   75    HB3  PRO  11           HB3      PRO  11 100.578  -2.045   5.058
   76    HG2  PRO  11           HG2      PRO  11 101.328  -1.858   2.118
   77    HG3  PRO  11           HG3      PRO  11 100.262  -3.071   2.902
   78    HD2  PRO  11           HD2      PRO  11  99.212  -0.879   1.694
   79    HD3  PRO  11           HD3      PRO  11  98.543  -1.473   3.240
   80    H    LYS  12           H        LYS  12 103.120   0.529   5.528
   81    HA   LYS  12           HA       LYS  12 104.564   2.217   3.743
   82    HB2  LYS  12           HB2      LYS  12 104.886   1.965   6.228
   83    HB3  LYS  12           HB3      LYS  12 105.647   0.392   5.937
   84    HG2  LYS  12           HG2      LYS  12 107.388   1.532   4.563
   85    HG3  LYS  12           HG3      LYS  12 106.609   3.092   4.889
   86    HD2  LYS  12           HD2      LYS  12 106.994   2.621   7.374
   87    HD3  LYS  12           HD3      LYS  12 107.971   1.219   6.876
   88    HE2  LYS  12           HE2      LYS  12 109.381   2.804   5.477
   89    HE3  LYS  12           HE3      LYS  12 108.433   4.146   6.130
   90    HZ1  LYS  12           HZ1      LYS  12 110.327   4.008   7.492
   91    HZ2  LYS  12           HZ2      LYS  12 109.202   3.246   8.405
   92    HZ3  LYS  12           HZ3      LYS  12 110.339   2.386   7.555
   93    H    GLY  13           H        GLY  13 106.136   1.863   2.236
   94    HA2  GLY  13           HA2      GLY  13 106.098  -0.594   0.737
   95    HA3  GLY  13           HA3      GLY  13 107.143   0.791   0.446
   96    HA   PRO  14           HA       PRO  14 109.539  -2.907   2.176
   97    HB2  PRO  14           HB2      PRO  14 110.733  -3.940  -0.042
   98    HB3  PRO  14           HB3      PRO  14 109.039  -4.319   0.398
   99    HG2  PRO  14           HG2      PRO  14 110.023  -2.213  -1.551
  100    HG3  PRO  14           HG3      PRO  14 108.778  -3.472  -1.834
  101    HD2  PRO  14           HD2      PRO  14 108.095  -0.933  -1.108
  102    HD3  PRO  14           HD3      PRO  14 107.198  -2.347  -0.487
  103    H    LYS  15           H        LYS  15 111.721  -2.988   2.671
  104    HA   LYS  15           HA       LYS  15 113.310  -0.639   2.548
  105    HB2  LYS  15           HB2      LYS  15 113.468  -2.448   4.269
  106    HB3  LYS  15           HB3      LYS  15 114.119  -3.543   3.046
  107    HG2  LYS  15           HG2      LYS  15 116.117  -2.150   2.796
  108    HG3  LYS  15           HG3      LYS  15 115.454  -0.939   3.914
  109    HD2  LYS  15           HD2      LYS  15 115.556  -2.521   5.770
  110    HD3  LYS  15           HD3      LYS  15 115.925  -3.852   4.670
  111    HE2  LYS  15           HE2      LYS  15 117.961  -3.276   5.742
  112    HE3  LYS  15           HE3      LYS  15 118.079  -2.773   4.057
  113    HZ1  LYS  15           HZ1      LYS  15 117.493  -0.960   6.345
  114    HZ2  LYS  15           HZ2      LYS  15 118.944  -1.132   5.597
  115    HZ3  LYS  15           HZ3      LYS  15 117.676  -0.468   4.778
  116    H    GLY  16           H        GLY  16 114.975   0.046   1.259
  117    HA2  GLY  16           HA2      GLY  16 115.120  -0.849  -1.470
  118    HA3  GLY  16           HA3      GLY  16 116.156   0.352  -0.707
  119    HA   PRO  17           HA       PRO  17 118.417  -3.794  -1.345
  120    HB2  PRO  17           HB2      PRO  17 119.637  -3.539  -3.774
  121    HB3  PRO  17           HB3      PRO  17 117.948  -4.102  -3.589
  122    HG2  PRO  17           HG2      PRO  17 118.914  -1.298  -4.225
  123    HG3  PRO  17           HG3      PRO  17 117.650  -2.249  -5.071
  124    HD2  PRO  17           HD2      PRO  17 117.036  -0.396  -3.155
  125    HD3  PRO  17           HD3      PRO  17 116.099  -1.910  -3.335
  126    H    LYS  18           H        LYS  18 120.617  -4.150  -0.991
  127    HA   LYS  18           HA       LYS  18 122.161  -2.088   0.240
  128    HB2  LYS  18           HB2      LYS  18 122.213  -4.535   0.750
  129    HB3  LYS  18           HB3      LYS  18 122.985  -4.831  -0.812
  130    HG2  LYS  18           HG2      LYS  18 124.965  -3.581  -0.124
  131    HG3  LYS  18           HG3      LYS  18 124.189  -3.109   1.403
  132    HD2  LYS  18           HD2      LYS  18 124.180  -5.383   2.198
  133    HD3  LYS  18           HD3      LYS  18 124.625  -6.012   0.593
  134    HE2  LYS  18           HE2      LYS  18 126.786  -4.832   0.705
  135    HE3  LYS  18           HE3      LYS  18 126.389  -4.205   2.314
  136    HZ1  LYS  18           HZ1      LYS  18 126.476  -6.420   3.188
  137    HZ2  LYS  18           HZ2      LYS  18 126.498  -7.113   1.700
  138    HZ3  LYS  18           HZ3      LYS  18 127.802  -6.284   2.207
  139    H    GLY  19           H        GLY  19 124.086  -1.079  -0.315
  140    HA2  GLY  19           HA2      GLY  19 124.371  -0.262  -3.082
  141    HA3  GLY  19           HA3      GLY  19 125.383   0.230  -1.732
  142    HA   PRO  20           HA       PRO  20 127.655  -2.879  -4.514
  143    HB2  PRO  20           HB2      PRO  20 129.069  -1.307  -6.224
  144    HB3  PRO  20           HB3      PRO  20 127.346  -1.703  -6.502
  145    HG2  PRO  20           HG2      PRO  20 128.487   0.797  -5.208
  146    HG3  PRO  20           HG3      PRO  20 127.298   0.696  -6.546
  147    HD2  PRO  20           HD2      PRO  20 126.510   1.015  -3.949
  148    HD3  PRO  20           HD3      PRO  20 125.572   0.022  -5.095
  149    H    LYS  21           H        LYS  21 129.909  -3.415  -4.453
  150    HA   LYS  21           HA       LYS  21 131.343  -2.698  -2.107
  151    HB2  LYS  21           HB2      LYS  21 131.556  -4.833  -3.456
  152    HB3  LYS  21           HB3      LYS  21 132.462  -3.916  -4.670
  153    HG2  LYS  21           HG2      LYS  21 134.086  -3.290  -2.846
  154    HG3  LYS  21           HG3      LYS  21 133.214  -4.334  -1.738
  155    HD2  LYS  21           HD2      LYS  21 135.128  -5.531  -2.448
  156    HD3  LYS  21           HD3      LYS  21 133.766  -6.268  -3.317
  157    HE2  LYS  21           HE2      LYS  21 134.325  -4.947  -5.332
  158    HE3  LYS  21           HE3      LYS  21 135.601  -4.090  -4.445
  159    HZ1  LYS  21           HZ1      LYS  21 136.872  -6.109  -4.298
  160    HZ2  LYS  21           HZ2      LYS  21 135.635  -7.037  -4.885
  161    HZ3  LYS  21           HZ3      LYS  21 136.409  -5.971  -5.857
  162    H    GLY  22           H        GLY  22 133.044  -1.353  -1.665
  163    HA2  GLY  22           HA2      GLY  22 133.483   1.022  -3.264
  164    HA3  GLY  22           HA3      GLY  22 134.354   0.558  -1.807
  165    HA   PRO  23           HA       PRO  23 137.052  -0.067  -5.667
  166    HB2  PRO  23           HB2      PRO  23 138.528   2.221  -5.775
  167    HB3  PRO  23           HB3      PRO  23 136.879   2.113  -6.464
  168    HG2  PRO  23           HG2      PRO  23 137.682   3.177  -3.734
  169    HG3  PRO  23           HG3      PRO  23 136.655   3.977  -4.968
  170    HD2  PRO  23           HD2      PRO  23 135.565   2.569  -2.903
  171    HD3  PRO  23           HD3      PRO  23 134.843   2.530  -4.537
  172    H    LYS  24           H        LYS  24 139.309  -0.515  -5.718
  173    HA   LYS  24           HA       LYS  24 140.566  -1.481  -3.353
  174    HB2  LYS  24           HB2      LYS  24 140.991  -2.274  -5.685
  175    HB3  LYS  24           HB3      LYS  24 141.706  -0.711  -6.083
  176    HG2  LYS  24           HG2      LYS  24 143.546  -1.106  -4.511
  177    HG3  LYS  24           HG3      LYS  24 142.822  -2.646  -4.004
  178    HD2  LYS  24           HD2      LYS  24 143.126  -3.569  -6.246
  179    HD3  LYS  24           HD3      LYS  24 143.648  -1.987  -6.870
  180    HE2  LYS  24           HE2      LYS  24 145.600  -2.021  -5.341
  181    HE3  LYS  24           HE3      LYS  24 145.109  -3.616  -4.742
  182    HZ1  LYS  24           HZ1      LYS  24 145.838  -3.009  -7.565
  183    HZ2  LYS  24           HZ2      LYS  24 146.815  -3.753  -6.486
  184    HZ3  LYS  24           HZ3      LYS  24 145.437  -4.491  -6.989
  185    H    GLY  25           H        GLY  25 142.202  -0.752  -2.057
  186    HA2  GLY  25           HA2      GLY  25 142.450   2.119  -1.646
  187    HA3  GLY  25           HA3      GLY  25 143.238   0.849  -0.719
  188    HA   PRO  26           HA       PRO  26 146.239   3.085  -3.641
  189    HB2  PRO  26           HB2      PRO  26 147.521   4.833  -1.984
  190    HB3  PRO  26           HB3      PRO  26 145.931   5.195  -2.725
  191    HG2  PRO  26           HG2      PRO  26 146.480   4.079   0.043
  192    HG3  PRO  26           HG3      PRO  26 145.452   5.485  -0.391
  193    HD2  PRO  26           HD2      PRO  26 144.381   3.012   0.007
  194    HD3  PRO  26           HD3      PRO  26 143.759   4.093  -1.272
  195    H    LYS  27           H        LYS  27 148.518   2.835  -3.815
  196    HA   LYS  27           HA       LYS  27 149.689   0.538  -2.574
  197    HB2  LYS  27           HB2      LYS  27 150.300   1.451  -4.843
  198    HB3  LYS  27           HB3      LYS  27 151.023   2.865  -4.067
  199    HG2  LYS  27           HG2      LYS  27 152.717   1.490  -2.993
  200    HG3  LYS  27           HG3      LYS  27 151.934  -0.003  -3.557
  201    HD2  LYS  27           HD2      LYS  27 152.441   0.558  -5.883
  202    HD3  LYS  27           HD3      LYS  27 153.115   2.130  -5.390
  203    HE2  LYS  27           HE2      LYS  27 154.848   0.978  -4.047
  204    HE3  LYS  27           HE3      LYS  27 154.185  -0.596  -4.508
  205    HZ1  LYS  27           HZ1      LYS  27 155.302   1.381  -6.432
  206    HZ2  LYS  27           HZ2      LYS  27 156.127   0.099  -5.856
  207    HZ3  LYS  27           HZ3      LYS  27 154.798  -0.138  -6.803
  208    H    GLY  28           H        GLY  28 151.166   0.272  -0.950
  209    HA2  GLY  28           HA2      GLY  28 150.804   1.898   1.308
  210    HA3  GLY  28           HA3      GLY  28 151.985   0.602   1.179
  211    HA   PRO  29           HA       PRO  29 153.896   4.977   1.438
  212    HB2  PRO  29           HB2      PRO  29 154.592   5.137   4.106
  213    HB3  PRO  29           HB3      PRO  29 153.013   5.646   3.442
  214    HG2  PRO  29           HG2      PRO  29 153.720   3.021   4.778
  215    HG3  PRO  29           HG3      PRO  29 152.295   4.070   5.066
  216    HD2  PRO  29           HD2      PRO  29 152.173   1.877   3.453
  217    HD3  PRO  29           HD3      PRO  29 151.255   3.368   3.079
  218    H    LYS  30           H        LYS  30 156.081   5.564   1.651
  219    HA   LYS  30           HA       LYS  30 158.125   3.642   2.496
  220    HB2  LYS  30           HB2      LYS  30 159.245   3.477   0.341
  221    HB3  LYS  30           HB3      LYS  30 157.580   2.933   0.165
  222    HG2  LYS  30           HG2      LYS  30 156.975   5.202  -0.761
  223    HG3  LYS  30           HG3      LYS  30 158.685   5.663  -0.665
  224    HD2  LYS  30           HD2      LYS  30 159.305   3.898  -2.230
  225    HD3  LYS  30           HD3      LYS  30 157.626   3.302  -2.262
  226    HE2  LYS  30           HE2      LYS  30 156.837   5.395  -3.230
  227    HE3  LYS  30           HE3      LYS  30 158.451   6.114  -3.115
  228    HZ1  LYS  30           HZ1      LYS  30 159.250   4.555  -4.743
  229    HZ2  LYS  30           HZ2      LYS  30 157.868   3.677  -4.726
  230    HZ3  LYS  30           HZ3      LYS  30 157.881   5.199  -5.361
  231    H    GLY  31           H        GLY  31 160.343   4.504   2.242
  232    HA2  GLY  31           HA2      GLY  31 161.978   6.116   2.135
  233    HA3  GLY  31           HA3      GLY  31 160.772   7.306   1.657
  234    HN1  NH2  32           HN1      NH2  32 159.446   6.305   4.500
  235    HN2  NH2  32           HN2      NH2  32 160.292   7.368   5.605
  236    H1   ACE  33           H1       ACE  33  76.259   5.062  -4.324
  237    H2   ACE  33           H2       ACE  33  75.271   3.655  -4.785
  238    H3   ACE  33           H3       ACE  33  74.501   5.239  -4.518
  239    H    ASP  34           H        ASP  34  76.872   3.289  -2.755
  240    HA   ASP  34           HA       ASP  34  75.707   3.937  -0.169
  241    HB2  ASP  34           HB2      ASP  34  74.231   2.101  -0.889
  242    HB3  ASP  34           HB3      ASP  34  75.619   1.043  -1.096
  243    HA   HYP  35           HA       HYP  35  79.992   1.709   0.416
  244    HB2  HYP  35           HB2      HYP  35  81.147   2.229  -2.302
  245    HB3  HYP  35           HB3      HYP  35  81.505   0.898  -1.166
  246    HG   HYP  35           HG       HYP  35  79.918   0.566  -3.368
  247   HD22  HYP  35          HD22      HYP  35  78.357   2.248  -3.029
  248   HD23  HYP  35          HD23      HYP  35  77.508   0.928  -2.177
  249    HD1  HYP  35           HD1      HYP  35  79.975  -0.650  -0.898
  250    H    GLY  36           H        GLY  36  81.981   2.856   0.914
  251    HA2  GLY  36           HA2      GLY  36  81.975   5.799   0.495
  252    HA3  GLY  36           HA3      GLY  36  82.992   4.882   1.591
  253    H    ASP  37           H        ASP  37  84.169   6.814   0.309
  254    HA   ASP  37           HA       ASP  37  85.257   6.269  -2.257
  255    HB2  ASP  37           HB2      ASP  37  86.058   8.113   0.032
  256    HB3  ASP  37           HB3      ASP  37  86.821   8.141  -1.551
  257    HA   HYP  38           HA       HYP  38  88.864   3.692  -1.471
  258    HB2  HYP  38           HB2      HYP  38  90.437   5.707  -3.050
  259    HB3  HYP  38           HB3      HYP  38  90.372   3.935  -3.246
  260    HG   HYP  38           HG       HYP  38  89.055   5.648  -4.925
  261   HD22  HYP  38          HD22      HYP  38  87.774   6.876  -3.397
  262   HD23  HYP  38          HD23      HYP  38  86.621   5.547  -3.707
  263    HD1  HYP  38           HD1      HYP  38  87.559   3.967  -5.279
  264    H    GLY  39           H        GLY  39  90.716   3.550  -0.202
  265    HA2  GLY  39           HA2      GLY  39  91.371   5.761   1.619
  266    HA3  GLY  39           HA3      GLY  39  92.025   4.129   1.638
  267    H    ASP  40           H        ASP  40  93.657   6.256   2.132
  268    HA   ASP  40           HA       ASP  40  94.947   7.310  -0.200
  269    HB2  ASP  40           HB2      ASP  40  95.511   7.416   2.786
  270    HB3  ASP  40           HB3      ASP  40  96.452   8.290   1.588
  271    HA   HYP  41           HA       HYP  41  98.407   4.502  -0.855
  272    HB2  HYP  41           HB2      HYP  41 100.102   6.980  -0.956
  273    HB3  HYP  41           HB3      HYP  41 100.031   5.624  -2.112
  274    HG   HYP  41           HG       HYP  41  98.837   8.060  -2.573
  275   HD22  HYP  41          HD22      HYP  41  97.395   8.254  -0.764
  276   HD23  HYP  41          HD23      HYP  41  96.321   7.295  -1.820
  277    HD1  HYP  41           HD1      HYP  41  98.659   6.437  -4.099
  278    H    GLY  42           H        GLY  42 100.192   3.596   0.178
  279    HA2  GLY  42           HA2      GLY  42 100.833   4.378   2.932
  280    HA3  GLY  42           HA3      GLY  42 101.514   3.045   2.015
  281    H    ASP  43           H        ASP  43 103.078   4.589   3.665
  282    HA   ASP  43           HA       ASP  43 104.478   6.668   2.194
  283    HB2  ASP  43           HB2      ASP  43 104.684   5.414   4.940
  284    HB3  ASP  43           HB3      ASP  43 105.963   6.454   4.340
  285    HA   HYP  44           HA       HYP  44 107.731   4.420   0.251
  286    HB2  HYP  44           HB2      HYP  44 109.747   6.265   1.499
  287    HB3  HYP  44           HB3      HYP  44 109.527   5.837  -0.219
  288    HG   HYP  44           HG       HYP  44 108.702   8.232   0.798
  289   HD22  HYP  44          HD22      HYP  44 107.362   7.483   2.577
  290   HD23  HYP  44          HD23      HYP  44 106.119   7.590   1.300
  291    HD1  HYP  44           HD1      HYP  44 107.116   8.258  -0.825
  292    H    GLY  45           H        GLY  45 109.270   2.815   0.546
  293    HA2  GLY  45           HA2      GLY  45 109.793   1.664   3.135
  294    HA3  GLY  45           HA3      GLY  45 110.571   1.249   1.622
  295    H    ASP  46           H        ASP  46 111.888   1.255   4.092
  296    HA   ASP  46           HA       ASP  46 113.451   3.622   4.519
  297    HB2  ASP  46           HB2      ASP  46 113.684   0.710   5.368
  298    HB3  ASP  46           HB3      ASP  46 114.824   1.947   5.866
  299    HA   HYP  47           HA       HYP  47 116.634   3.169   1.384
  300    HB2  HYP  47           HB2      HYP  47 118.605   3.801   3.558
  301    HB3  HYP  47           HB3      HYP  47 118.445   4.538   1.942
  302    HG   HYP  47           HG       HYP  47 117.576   5.773   4.227
  303   HD22  HYP  47          HD22      HYP  47 116.094   4.183   5.093
  304   HD23  HYP  47          HD23      HYP  47 114.949   5.037   4.019
  305    HD1  HYP  47           HD1      HYP  47 116.275   6.966   2.903
  306    H    GLY  48           H        GLY  48 118.311   1.806   0.664
  307    HA2  GLY  48           HA2      GLY  48 118.839  -0.693   2.087
  308    HA3  GLY  48           HA3      GLY  48 119.601  -0.145   0.608
  309    H    ASP  49           H        ASP  49 120.962  -1.420   2.687
  310    HA   ASP  49           HA       ASP  49 122.406   0.494   4.307
  311    HB2  ASP  49           HB2      ASP  49 122.535  -2.492   3.832
  312    HB3  ASP  49           HB3      ASP  49 123.811  -1.672   4.704
  313    HA   HYP  50           HA       HYP  50 125.874   1.514   1.660
  314    HB2  HYP  50           HB2      HYP  50 127.642   0.757   3.968
  315    HB3  HYP  50           HB3      HYP  50 127.655   2.247   2.988
  316    HG   HYP  50           HG       HYP  50 126.596   2.137   5.523
  317   HD22  HYP  50          HD22      HYP  50 124.997   0.461   5.297
  318   HD23  HYP  50          HD23      HYP  50 123.992   1.836   4.763
  319    HD1  HYP  50           HD1      HYP  50 126.523   4.048   4.331
  320    H    GLY  51           H        GLY  51 127.376   0.521   0.322
  321    HA2  GLY  51           HA2      GLY  51 127.533  -2.355   0.165
  322    HA3  GLY  51           HA3      GLY  51 128.511  -1.199  -0.729
  323    H    ASP  52           H        ASP  52 129.679  -3.544   0.046
  324    HA   ASP  52           HA       ASP  52 131.014  -3.386   2.567
  325    HB2  ASP  52           HB2      ASP  52 131.252  -5.100   0.106
  326    HB3  ASP  52           HB3      ASP  52 132.479  -5.186   1.354
  327    HA   HYP  53           HA       HYP  53 134.586  -0.829   1.668
  328    HB2  HYP  53           HB2      HYP  53 136.198  -2.834   3.188
  329    HB3  HYP  53           HB3      HYP  53 136.075  -1.072   3.430
  330    HG   HYP  53           HG       HYP  53 134.856  -2.904   5.079
  331   HD22  HYP  53          HD22      HYP  53 133.500  -4.043   3.554
  332   HD23  HYP  53          HD23      HYP  53 132.377  -2.718   3.971
  333    HD1  HYP  53           HD1      HYP  53 133.407  -1.256   5.615
  334    H    GLY  54           H        GLY  54 136.181  -0.735   0.142
  335    HA2  GLY  54           HA2      GLY  54 136.623  -2.827  -1.755
  336    HA3  GLY  54           HA3      GLY  54 137.520  -1.330  -1.625
  337    H    ASP  55           H        ASP  55 138.751  -3.512  -2.519
  338    HA   ASP  55           HA       ASP  55 139.997  -5.178  -0.597
  339    HB2  ASP  55           HB2      ASP  55 140.599  -4.444  -3.483
  340    HB3  ASP  55           HB3      ASP  55 141.551  -5.611  -2.576
  341    HA   HYP  56           HA       HYP  56 143.391  -2.637   0.948
  342    HB2  HYP  56           HB2      HYP  56 145.012  -5.152   0.721
  343    HB3  HYP  56           HB3      HYP  56 144.844  -4.044   2.111
  344    HG   HYP  56           HG       HYP  56 143.565  -6.474   1.985
  345   HD22  HYP  56          HD22      HYP  56 142.351  -6.259   0.007
  346   HD23  HYP  56          HD23      HYP  56 141.162  -5.523   1.121
  347    HD1  HYP  56           HD1      HYP  56 143.165  -5.249   3.772
  348    H    GLY  57           H        GLY  57 145.116  -1.498   0.122
  349    HA2  GLY  57           HA2      GLY  57 145.836  -1.675  -2.671
  350    HA3  GLY  57           HA3      GLY  57 146.607  -0.676  -1.447
  351    H    ASP  58           H        ASP  58 148.123  -1.849  -3.457
  352    HA   ASP  58           HA       ASP  58 149.400  -4.279  -2.559
  353    HB2  ASP  58           HB2      ASP  58 149.937  -2.193  -4.688
  354    HB3  ASP  58           HB3      ASP  58 151.139  -3.409  -4.306
  355    HA   HYP  59           HA       HYP  59 152.339  -2.823   0.422
  356    HB2  HYP  59           HB2      HYP  59 154.494  -4.189  -1.159
  357    HB3  HYP  59           HB3      HYP  59 154.110  -4.341   0.573
  358    HG   HYP  59           HG       HYP  59 153.447  -6.239  -1.306
  359   HD22  HYP  59          HD22      HYP  59 152.067  -5.071  -2.754
  360   HD23  HYP  59          HD23      HYP  59 150.818  -5.452  -1.537
  361    HD1  HYP  59           HD1      HYP  59 151.861  -6.924   0.132
  362    H    GLY  60           H        GLY  60 153.863  -1.191   0.787
  363    HA2  GLY  60           HA2      GLY  60 154.772   0.599  -1.312
  364    HA3  GLY  60           HA3      GLY  60 155.383   0.539   0.333
  365    H    ASP  61           H        ASP  61 157.082   0.962  -1.853
  366    HA   ASP  61           HA       ASP  61 158.201  -1.404  -2.943
  367    HB2  ASP  61           HB2      ASP  61 159.191   1.455  -2.719
  368    HB3  ASP  61           HB3      ASP  61 159.993   0.199  -3.639
  369    HA   HYP  62           HA       HYP  62 160.360  -2.948   0.621
  370    HB2  HYP  62           HB2      HYP  62 162.331  -3.912  -1.466
  371    HB3  HYP  62           HB3      HYP  62 161.706  -4.787  -0.037
  372    HG   HYP  62           HG       HYP  62 160.661  -5.197  -2.517
  373   HD22  HYP  62          HD22      HYP  62 160.157  -3.033  -3.217
  374   HD23  HYP  62          HD23      HYP  62 158.632  -3.366  -2.348
  375    HD1  HYP  62           HD1      HYP  62 159.701  -6.136  -0.691
  376    H    GLY  63           H        GLY  63 161.947  -2.441   2.050
  377    HA2  GLY  63           HA2      GLY  63 164.519  -1.283   1.352
  378    HA3  GLY  63           HA3      GLY  63 163.388  -0.069   1.964
  379    HN1  NH2  64           HN1      NH2  64 163.682  -3.503   3.084
  380    HN2  NH2  64           HN2      NH2  64 164.154  -3.066   4.715
  381    H1   ACE  65           H1       ACE  65  80.509  -3.984   2.514
  382    H2   ACE  65           H2       ACE  65  79.101  -3.948   1.426
  383    H3   ACE  65           H3       ACE  65  80.750  -3.933   0.757
  384    HA   PRO  66           HA       PRO  66  79.128   0.497   2.136
  385    HB2  PRO  66           HB2      PRO  66  79.613   0.262   5.088
  386    HB3  PRO  66           HB3      PRO  66  78.366   1.184   4.204
  387    HG2  PRO  66           HG2      PRO  66  77.769  -1.181   5.428
  388    HG3  PRO  66           HG3      PRO  66  77.055  -0.750   3.842
  389    HD2  PRO  66           HD2      PRO  66  79.370  -2.601   4.416
  390    HD3  PRO  66           HD3      PRO  66  78.022  -2.792   3.258
  391    HA   HYP  67           HA       HYP  67  83.667   1.192   3.960
  392    HB2  HYP  67           HB2      HYP  67  84.658  -1.577   3.310
  393    HB3  HYP  67           HB3      HYP  67  85.255  -0.427   4.542
  394    HG   HYP  67           HG       HYP  67  83.419  -0.897   5.990
  395   HD22  HYP  67          HD22      HYP  67  81.851  -2.214   3.784
  396   HD23  HYP  67          HD23      HYP  67  81.276  -1.205   5.141
  397    HD1  HYP  67           HD1      HYP  67  84.600  -2.875   5.746
  398    H    GLY  68           H        GLY  68  84.642   2.361   2.411
  399    HA2  GLY  68           HA2      GLY  68  84.882   1.583  -0.391
  400    HA3  GLY  68           HA3      GLY  68  85.730   2.903   0.415
  401    HA   PRO  69           HA       PRO  69  88.336  -1.027  -0.231
  402    HB2  PRO  69           HB2      PRO  69  89.878  -0.435  -2.430
  403    HB3  PRO  69           HB3      PRO  69  88.249  -1.172  -2.512
  404    HG2  PRO  69           HG2      PRO  69  88.992   1.750  -2.804
  405    HG3  PRO  69           HG3      PRO  69  87.926   0.771  -3.861
  406    HD2  PRO  69           HD2      PRO  69  86.911   2.390  -1.917
  407    HD3  PRO  69           HD3      PRO  69  86.172   0.801  -2.279
  408    HA   HYP  70           HA       HYP  70  91.959   0.767   1.894
  409    HB2  HYP  70           HB2      HYP  70  93.404  -1.524   0.602
  410    HB3  HYP  70           HB3      HYP  70  93.443  -0.992   2.304
  411    HG   HYP  70           HG       HYP  70  92.021  -3.187   1.430
  412   HD22  HYP  70          HD22      HYP  70  90.555  -2.269  -0.114
  413   HD23  HYP  70          HD23      HYP  70  89.595  -1.901   1.348
  414    HD1  HYP  70           HD1      HYP  70  92.034  -2.563   3.606
  415    H    GLY  71           H        GLY  71  93.768   1.998   1.386
  416    HA2  GLY  71           HA2      GLY  71  94.277   2.723  -1.400
  417    HA3  GLY  71           HA3      GLY  71  95.143   3.300   0.015
  418    HA   PRO  72           HA       PRO  72  97.490  -0.061  -2.391
  419    HB2  PRO  72           HB2      PRO  72  99.254   1.368  -3.929
  420    HB3  PRO  72           HB3      PRO  72  97.575   1.010  -4.433
  421    HG2  PRO  72           HG2      PRO  72  98.620   3.533  -3.107
  422    HG3  PRO  72           HG3      PRO  72  97.607   3.401  -4.582
  423    HD2  PRO  72           HD2      PRO  72  96.504   3.888  -2.141
  424    HD3  PRO  72           HD3      PRO  72  95.690   2.825  -3.328
  425    HA   HYP  73           HA       HYP  73 101.111   0.085   0.385
  426    HB2  HYP  73           HB2      HYP  73 102.601  -1.115  -1.930
  427    HB3  HYP  73           HB3      HYP  73 102.567  -1.643  -0.227
  428    HG   HYP  73           HG       HYP  73 101.176  -2.937  -2.208
  429   HD22  HYP  73          HD22      HYP  73  99.878  -1.197  -3.072
  430   HD23  HYP  73          HD23      HYP  73  98.773  -1.736  -1.774
  431    HD1  HYP  73           HD1      HYP  73 101.035  -3.585  -0.037
  432    H    GLY  74           H        GLY  74 102.993   1.317   0.683
  433    HA2  GLY  74           HA2      GLY  74 103.558   3.511  -1.149
  434    HA3  GLY  74           HA3      GLY  74 104.462   3.094   0.300
  435    HA   PRO  75           HA       PRO  75 106.629   1.744  -3.702
  436    HB2  PRO  75           HB2      PRO  75 108.417   3.763  -4.196
  437    HB3  PRO  75           HB3      PRO  75 106.705   3.821  -4.717
  438    HG2  PRO  75           HG2      PRO  75 107.929   5.024  -2.212
  439    HG3  PRO  75           HG3      PRO  75 106.882   5.833  -3.424
  440    HD2  PRO  75           HD2      PRO  75 105.858   4.807  -1.118
  441    HD3  PRO  75           HD3      PRO  75 104.959   4.695  -2.660
  442    HA   HYP  76           HA       HYP  76 110.312   0.091  -1.646
  443    HB2  HYP  76           HB2      HYP  76 111.817   0.780  -4.152
  444    HB3  HYP  76           HB3      HYP  76 111.780  -0.761  -3.256
  445    HG   HYP  76           HG       HYP  76 110.399  -0.357  -5.599
  446   HD22  HYP  76          HD22      HYP  76 109.060   1.468  -5.061
  447   HD23  HYP  76          HD23      HYP  76 107.987   0.182  -4.443
  448    HD1  HYP  76           HD1      HYP  76 110.279  -2.320  -4.468
  449    H    GLY  77           H        GLY  77 112.125   0.800  -0.514
  450    HA2  GLY  77           HA2      GLY  77 112.837   3.630  -0.452
  451    HA3  GLY  77           HA3      GLY  77 113.670   2.319   0.377
  452    HA   PRO  78           HA       PRO  78 115.948   3.774  -3.538
  453    HB2  PRO  78           HB2      PRO  78 117.909   5.422  -2.549
  454    HB3  PRO  78           HB3      PRO  78 116.262   5.982  -2.970
  455    HG2  PRO  78           HG2      PRO  78 117.310   5.174  -0.239
  456    HG3  PRO  78           HG3      PRO  78 116.413   6.663  -0.679
  457    HD2  PRO  78           HD2      PRO  78 115.139   4.509   0.387
  458    HD3  PRO  78           HD3      PRO  78 114.377   5.480  -0.905
  459    HA   HYP  79           HA       HYP  79 119.309   0.774  -2.926
  460    HB2  HYP  79           HB2      HYP  79 120.931   2.614  -4.662
  461    HB3  HYP  79           HB3      HYP  79 120.719   0.849  -4.792
  462    HG   HYP  79           HG       HYP  79 119.428   2.630  -6.439
  463   HD22  HYP  79          HD22      HYP  79 118.292   3.961  -4.896
  464   HD23  HYP  79          HD23      HYP  79 117.068   2.670  -5.080
  465    HD1  HYP  79           HD1      HYP  79 119.079   0.397  -6.602
  466    H    GLY  80           H        GLY  80 121.111   0.569  -1.594
  467    HA2  GLY  80           HA2      GLY  80 121.937   2.737   0.124
  468    HA3  GLY  80           HA3      GLY  80 122.695   1.152   0.005
  469    HA   PRO  81           HA       PRO  81 125.226   4.532  -2.196
  470    HB2  PRO  81           HB2      PRO  81 127.001   5.405  -0.300
  471    HB3  PRO  81           HB3      PRO  81 125.352   6.076  -0.477
  472    HG2  PRO  81           HG2      PRO  81 126.286   3.916   1.436
  473    HG3  PRO  81           HG3      PRO  81 125.334   5.388   1.816
  474    HD2  PRO  81           HD2      PRO  81 124.131   2.974   1.414
  475    HD3  PRO  81           HD3      PRO  81 123.381   4.493   0.842
  476    HA   HYP  82           HA       HYP  82 128.720   1.750  -3.014
  477    HB2  HYP  82           HB2      HYP  82 130.422   4.215  -3.013
  478    HB3  HYP  82           HB3      HYP  82 130.350   2.905  -4.220
  479    HG   HYP  82           HG       HYP  82 129.172   5.360  -4.609
  480   HD22  HYP  82          HD22      HYP  82 127.749   5.502  -2.771
  481   HD23  HYP  82          HD23      HYP  82 126.649   4.622  -3.872
  482    HD1  HYP  82           HD1      HYP  82 128.980   3.760  -6.171
  483    H    GLY  83           H        GLY  83 130.144   0.631  -1.744
  484    HA2  GLY  83           HA2      GLY  83 130.506   1.284   1.017
  485    HA3  GLY  83           HA3      GLY  83 131.385   0.039   0.131
  486    HA   PRO  84           HA       PRO  84 134.037   3.819   1.142
  487    HB2  PRO  84           HB2      PRO  84 135.523   2.331   3.158
  488    HB3  PRO  84           HB3      PRO  84 134.733   3.925   3.291
  489    HG2  PRO  84           HG2      PRO  84 133.802   1.546   4.479
  490    HG3  PRO  84           HG3      PRO  84 132.796   2.960   4.078
  491    HD2  PRO  84           HD2      PRO  84 132.997   0.385   2.595
  492    HD3  PRO  84           HD3      PRO  84 131.620   1.494   2.804
  493    HA   HYP  85           HA       HYP  85 137.514   2.297  -1.362
  494    HB2  HYP  85           HB2      HYP  85 139.132   4.238   0.261
  495    HB3  HYP  85           HB3      HYP  85 139.089   4.020  -1.510
  496    HG   HYP  85           HG       HYP  85 137.827   6.105  -0.247
  497   HD22  HYP  85          HD22      HYP  85 136.453   4.960   1.256
  498   HD23  HYP  85          HD23      HYP  85 135.357   5.007  -0.157
  499    HD1  HYP  85           HD1      HYP  85 137.632   5.881  -2.471
  500    H    GLY  86           H        GLY  86 139.098   0.736  -1.061
  501    HA2  GLY  86           HA2      GLY  86 139.262  -0.625   1.431
  502    HA3  GLY  86           HA3      GLY  86 140.324  -0.897   0.049
  503    HA   PRO  87           HA       PRO  87 142.548   1.259   3.616
  504    HB2  PRO  87           HB2      PRO  87 144.010  -1.128   4.332
  505    HB3  PRO  87           HB3      PRO  87 142.977  -0.098   5.359
  506    HG2  PRO  87           HG2      PRO  87 142.359  -2.719   4.423
  507    HG3  PRO  87           HG3      PRO  87 141.212  -1.523   5.078
  508    HD2  PRO  87           HD2      PRO  87 141.642  -2.265   2.246
  509    HD3  PRO  87           HD3      PRO  87 140.205  -1.613   3.060
  510    HA   HYP  88           HA       HYP  88 146.279   1.778   1.069
  511    HB2  HYP  88           HB2      HYP  88 147.644   2.179   3.715
  512    HB3  HYP  88           HB3      HYP  88 147.735   3.185   2.245
  513    HG   HYP  88           HG       HYP  88 146.262   3.894   4.447
  514   HD22  HYP  88          HD22      HYP  88 144.828   2.066   4.668
  515   HD23  HYP  88          HD23      HYP  88 143.858   3.023   3.507
  516    HD1  HYP  88           HD1      HYP  88 144.961   5.104   3.036
  517    H    GLY  89           H        GLY  89 148.096   0.502   0.518
  518    HA2  GLY  89           HA2      GLY  89 148.310  -2.163   1.578
  519    HA3  GLY  89           HA3      GLY  89 149.474  -1.380   0.517
  520    HA   PRO  90           HA       PRO  90 151.116  -1.803   4.975
  521    HB2  PRO  90           HB2      PRO  90 152.846  -3.940   4.683
  522    HB3  PRO  90           HB3      PRO  90 151.129  -4.091   5.165
  523    HG2  PRO  90           HG2      PRO  90 152.338  -4.390   2.412
  524    HG3  PRO  90           HG3      PRO  90 151.177  -5.486   3.231
  525    HD2  PRO  90           HD2      PRO  90 150.353  -3.637   1.415
  526    HD3  PRO  90           HD3      PRO  90 149.381  -3.989   2.874
  527    HA   HYP  91           HA       HYP  91 154.490   0.683   3.827
  528    HB2  HYP  91           HB2      HYP  91 156.462   0.056   5.796
  529    HB3  HYP  91           HB3      HYP  91 155.180   1.282   5.882
  530    HG   HYP  91           HG       HYP  91 155.315  -1.403   7.146
  531   HD22  HYP  91          HD22      HYP  91 153.411  -2.298   6.338
  532   HD23  HYP  91          HD23      HYP  91 152.532  -0.746   6.416
  533    HD1  HYP  91           HD1      HYP  91 155.043   0.441   8.415
  534    H    GLY  92           H        GLY  92 156.416   0.784   2.673
  535    HA2  GLY  92           HA2      GLY  92 157.750  -1.591   1.648
  536    HA3  GLY  92           HA3      GLY  92 158.265   0.095   1.499
  537    HA   PRO  93           HA       PRO  93 161.172  -0.266   4.954
  538    HB2  PRO  93           HB2      PRO  93 159.263   1.153   6.828
  539    HB3  PRO  93           HB3      PRO  93 161.021   1.412   6.613
  540    HG2  PRO  93           HG2      PRO  93 159.243   3.090   5.453
  541    HG3  PRO  93           HG3      PRO  93 160.673   2.525   4.526
  542    HD2  PRO  93           HD2      PRO  93 157.825   1.542   4.390
  543    HD3  PRO  93           HD3      PRO  93 158.994   1.817   3.059
  544    HA   HYP  94           HA       HYP  94 159.674  -3.699   7.540
  545    HB2  HYP  94           HB2      HYP  94 161.862  -4.165   9.094
  546    HB3  HYP  94           HB3      HYP  94 161.806  -4.546   7.349
  547    HG   HYP  94           HG       HYP  94 163.080  -2.159   8.713
  548   HD22  HYP  94          HD22      HYP  94 162.378  -0.700   7.094
  549   HD23  HYP  94          HD23      HYP  94 162.477  -1.931   5.805
  550    HD1  HYP  94           HD1      HYP  94 164.444  -3.798   7.904
  551    H    GLY  95           H        GLY  95 158.785  -4.016   9.599
  552    HA2  GLY  95           HA2      GLY  95 159.300  -2.648  11.995
  553    HA3  GLY  95           HA3      GLY  95 158.084  -1.694  11.145
  554    HN1  NH2  96           HN1      NH2  96 157.079  -2.443  13.386
  555    HN2  NH2  96           HN2      NH2  96 156.078  -3.878  13.272
  Start of MODEL    2
    1    H1   ACE   1           H1       ACE   1  74.081  11.274   2.519
    2    H2   ACE   1           H2       ACE   1  73.929   9.518   2.306
    3    H3   ACE   1           H3       ACE   1  72.573  10.454   2.982
    4    HA   PRO   2           HA       PRO   2  74.117   9.346   7.018
    5    HB2  PRO   2           HB2      PRO   2  74.510   6.443   6.377
    6    HB3  PRO   2           HB3      PRO   2  73.563   7.193   7.689
    7    HG2  PRO   2           HG2      PRO   2  72.340   6.142   5.491
    8    HG3  PRO   2           HG3      PRO   2  71.753   7.663   6.239
    9    HD2  PRO   2           HD2      PRO   2  73.490   7.326   3.787
   10    HD3  PRO   2           HD3      PRO   2  72.100   8.417   4.054
   11    H    LYS   3           H        LYS   3  76.195   8.631   4.400
   12    HA   LYS   3           HA       LYS   3  78.394   8.289   4.068
   13    HB2  LYS   3           HB2      LYS   3  78.354  10.608   4.987
   14    HB3  LYS   3           HB3      LYS   3  78.729   9.964   6.579
   15    HG2  LYS   3           HG2      LYS   3  80.726  10.841   5.587
   16    HG3  LYS   3           HG3      LYS   3  80.907   9.094   5.703
   17    HD2  LYS   3           HD2      LYS   3  80.462   8.846   3.293
   18    HD3  LYS   3           HD3      LYS   3  80.090  10.583   3.167
   19    HE2  LYS   3           HE2      LYS   3  82.408  11.099   3.953
   20    HE3  LYS   3           HE3      LYS   3  82.777   9.369   3.976
   21    HZ1  LYS   3           HZ1      LYS   3  81.933  10.839   1.528
   22    HZ2  LYS   3           HZ2      LYS   3  83.488  10.526   1.911
   23    HZ3  LYS   3           HZ3      LYS   3  82.485   9.287   1.584
   24    H    GLY   4           H        GLY   4  77.956   6.065   4.415
   25    HA2  GLY   4           HA2      GLY   4  78.470   4.560   6.712
   26    HA3  GLY   4           HA3      GLY   4  78.631   3.987   5.056
   27    HA   PRO   5           HA       PRO   5  82.551   4.188   7.725
   28    HB2  PRO   5           HB2      PRO   5  83.164   1.487   7.915
   29    HB3  PRO   5           HB3      PRO   5  82.114   2.403   9.033
   30    HG2  PRO   5           HG2      PRO   5  81.283   0.704   6.679
   31    HG3  PRO   5           HG3      PRO   5  80.593   0.717   8.329
   32    HD2  PRO   5           HD2      PRO   5  79.432   2.048   6.272
   33    HD3  PRO   5           HD3      PRO   5  79.471   2.759   7.916
   34    H    LYS   6           H        LYS   6  83.873   5.149   6.319
   35    HA   LYS   6           HA       LYS   6  84.962   4.156   3.870
   36    HB2  LYS   6           HB2      LYS   6  85.061   6.549   4.585
   37    HB3  LYS   6           HB3      LYS   6  86.026   6.103   5.989
   38    HG2  LYS   6           HG2      LYS   6  87.920   5.512   4.641
   39    HG3  LYS   6           HG3      LYS   6  86.996   5.666   3.139
   40    HD2  LYS   6           HD2      LYS   6  86.765   8.047   3.423
   41    HD3  LYS   6           HD3      LYS   6  87.438   8.001   5.057
   42    HE2  LYS   6           HE2      LYS   6  89.004   7.113   2.591
   43    HE3  LYS   6           HE3      LYS   6  88.983   8.789   3.151
   44    HZ1  LYS   6           HZ1      LYS   6  89.930   6.496   4.795
   45    HZ2  LYS   6           HZ2      LYS   6  90.890   7.602   4.049
   46    HZ3  LYS   6           HZ3      LYS   6  89.906   8.067   5.268
   47    H    GLY   7           H        GLY   7  86.801   3.066   3.347
   48    HA2  GLY   7           HA2      GLY   7  87.637   0.974   5.110
   49    HA3  GLY   7           HA3      GLY   7  88.338   1.339   3.540
   50    HA   PRO   8           HA       PRO   8  91.182   2.707   7.127
   51    HB2  PRO   8           HB2      PRO   8  92.708   0.516   7.704
   52    HB3  PRO   8           HB3      PRO   8  91.091   0.787   8.421
   53    HG2  PRO   8           HG2      PRO   8  91.778  -0.887   5.983
   54    HG3  PRO   8           HG3      PRO   8  90.826  -1.382   7.423
   55    HD2  PRO   8           HD2      PRO   8  89.584  -0.519   5.172
   56    HD3  PRO   8           HD3      PRO   8  88.987  -0.039   6.783
   57    H    LYS   9           H        LYS   9  93.403   3.194   7.039
   58    HA   LYS   9           HA       LYS   9  94.652   3.478   4.468
   59    HB2  LYS   9           HB2      LYS   9  94.961   5.020   6.411
   60    HB3  LYS   9           HB3      LYS   9  95.769   3.725   7.297
   61    HG2  LYS   9           HG2      LYS   9  97.612   3.712   5.681
   62    HG3  LYS   9           HG3      LYS   9  96.791   4.924   4.682
   63    HD2  LYS   9           HD2      LYS   9  96.994   6.593   6.466
   64    HD3  LYS   9           HD3      LYS   9  97.558   5.360   7.597
   65    HE2  LYS   9           HE2      LYS   9  99.481   6.564   6.968
   66    HE3  LYS   9           HE3      LYS   9  99.588   4.992   6.178
   67    HZ1  LYS   9           HZ1      LYS   9  98.719   7.518   4.860
   68    HZ2  LYS   9           HZ2      LYS   9 100.203   6.836   4.733
   69    HZ3  LYS   9           HZ3      LYS   9  98.885   6.070   4.089
   70    H    GLY  10           H        GLY  10  96.301   2.391   3.481
   71    HA2  GLY  10           HA2      GLY  10  96.699  -0.406   4.079
   72    HA3  GLY  10           HA3      GLY  10  97.515   0.524   2.830
   73    HA   PRO  11           HA       PRO  11 100.314  -0.390   6.587
   74    HB2  PRO  11           HB2      PRO  11 101.697  -2.624   5.833
   75    HB3  PRO  11           HB3      PRO  11 100.072  -2.698   6.581
   76    HG2  PRO  11           HG2      PRO  11 100.759  -2.762   3.624
   77    HG3  PRO  11           HG3      PRO  11  99.724  -3.911   4.536
   78    HD2  PRO  11           HD2      PRO  11  98.633  -1.848   3.147
   79    HD3  PRO  11           HD3      PRO  11  97.983  -2.320   4.742
   80    H    LYS  12           H        LYS  12 102.588  -0.081   6.772
   81    HA   LYS  12           HA       LYS  12 103.909   1.547   4.844
   82    HB2  LYS  12           HB2      LYS  12 104.381   1.405   7.329
   83    HB3  LYS  12           HB3      LYS  12 105.161  -0.159   7.038
   84    HG2  LYS  12           HG2      LYS  12 106.708   1.035   5.426
   85    HG3  LYS  12           HG3      LYS  12 105.971   2.558   5.899
   86    HD2  LYS  12           HD2      LYS  12 108.043   2.329   7.076
   87    HD3  LYS  12           HD3      LYS  12 106.745   2.120   8.264
   88    HE2  LYS  12           HE2      LYS  12 107.022  -0.338   8.149
   89    HE3  LYS  12           HE3      LYS  12 108.237  -0.162   6.872
   90    HZ1  LYS  12           HZ1      LYS  12 108.560   0.922   9.627
   91    HZ2  LYS  12           HZ2      LYS  12 109.215  -0.481   9.107
   92    HZ3  LYS  12           HZ3      LYS  12 109.709   0.927   8.448
   93    H    GLY  13           H        GLY  13 105.387   1.141   3.252
   94    HA2  GLY  13           HA2      GLY  13 105.365  -1.383   1.886
   95    HA3  GLY  13           HA3      GLY  13 106.389  -0.004   1.507
   96    HA   PRO  14           HA       PRO  14 108.815  -3.633   3.378
   97    HB2  PRO  14           HB2      PRO  14 110.002  -4.732   1.171
   98    HB3  PRO  14           HB3      PRO  14 108.338  -5.142   1.688
   99    HG2  PRO  14           HG2      PRO  14 109.188  -3.119  -0.403
  100    HG3  PRO  14           HG3      PRO  14 107.963  -4.417  -0.564
  101    HD2  PRO  14           HD2      PRO  14 107.250  -1.860   0.038
  102    HD3  PRO  14           HD3      PRO  14 106.415  -3.252   0.786
  103    H    LYS  15           H        LYS  15 111.012  -3.691   3.839
  104    HA   LYS  15           HA       LYS  15 112.578  -1.333   3.674
  105    HB2  LYS  15           HB2      LYS  15 112.752  -3.205   5.351
  106    HB3  LYS  15           HB3      LYS  15 113.527  -4.203   4.112
  107    HG2  LYS  15           HG2      LYS  15 115.371  -2.550   3.953
  108    HG3  LYS  15           HG3      LYS  15 114.578  -1.535   5.164
  109    HD2  LYS  15           HD2      LYS  15 114.726  -3.582   6.739
  110    HD3  LYS  15           HD3      LYS  15 115.790  -4.305   5.513
  111    HE2  LYS  15           HE2      LYS  15 117.201  -2.151   5.685
  112    HE3  LYS  15           HE3      LYS  15 116.203  -1.720   7.081
  113    HZ1  LYS  15           HZ1      LYS  15 118.050  -4.027   6.812
  114    HZ2  LYS  15           HZ2      LYS  15 118.125  -2.831   7.904
  115    HZ3  LYS  15           HZ3      LYS  15 116.935  -3.949   8.037
  116    H    GLY  16           H        GLY  16 114.209  -0.629   2.369
  117    HA2  GLY  16           HA2      GLY  16 114.212  -1.381  -0.378
  118    HA3  GLY  16           HA3      GLY  16 115.365  -0.297   0.393
  119    HA   PRO  17           HA       PRO  17 117.382  -4.448  -0.764
  120    HB2  PRO  17           HB2      PRO  17 118.527  -3.939  -3.191
  121    HB3  PRO  17           HB3      PRO  17 116.822  -4.457  -3.011
  122    HG2  PRO  17           HG2      PRO  17 117.883  -1.634  -3.325
  123    HG3  PRO  17           HG3      PRO  17 116.558  -2.421  -4.242
  124    HD2  PRO  17           HD2      PRO  17 116.057  -0.811  -2.096
  125    HD3  PRO  17           HD3      PRO  17 115.075  -2.269  -2.418
  126    H    LYS  18           H        LYS  18 119.573  -4.921  -0.515
  127    HA   LYS  18           HA       LYS  18 121.199  -3.103   0.942
  128    HB2  LYS  18           HB2      LYS  18 121.209  -5.599   1.088
  129    HB3  LYS  18           HB3      LYS  18 121.933  -5.681  -0.522
  130    HG2  LYS  18           HG2      LYS  18 123.959  -4.563   0.294
  131    HG3  LYS  18           HG3      LYS  18 123.231  -4.349   1.900
  132    HD2  LYS  18           HD2      LYS  18 123.174  -6.753   2.258
  133    HD3  LYS  18           HD3      LYS  18 123.656  -7.063   0.573
  134    HE2  LYS  18           HE2      LYS  18 125.811  -5.936   0.953
  135    HE3  LYS  18           HE3      LYS  18 125.368  -5.598   2.636
  136    HZ1  LYS  18           HZ1      LYS  18 125.560  -8.346   1.509
  137    HZ2  LYS  18           HZ2      LYS  18 126.794  -7.609   2.277
  138    HZ3  LYS  18           HZ3      LYS  18 125.400  -7.950   3.093
  139    H    GLY  19           H        GLY  19 123.061  -1.976   0.504
  140    HA2  GLY  19           HA2      GLY  19 123.367  -0.852  -2.157
  141    HA3  GLY  19           HA3      GLY  19 124.332  -0.477  -0.738
  142    HA   PRO  20           HA       PRO  20 126.728  -3.169  -3.824
  143    HB2  PRO  20           HB2      PRO  20 128.227  -1.354  -5.203
  144    HB3  PRO  20           HB3      PRO  20 126.528  -1.725  -5.624
  145    HG2  PRO  20           HG2      PRO  20 127.558   0.579  -3.936
  146    HG3  PRO  20           HG3      PRO  20 126.427   0.649  -5.325
  147    HD2  PRO  20           HD2      PRO  20 125.527   0.597  -2.749
  148    HD3  PRO  20           HD3      PRO  20 124.660  -0.256  -4.057
  149    H    LYS  21           H        LYS  21 128.871  -3.860  -3.653
  150    HA   LYS  21           HA       LYS  21 130.322  -3.411  -1.239
  151    HB2  LYS  21           HB2      LYS  21 130.390  -5.485  -2.635
  152    HB3  LYS  21           HB3      LYS  21 131.225  -4.591  -3.911
  153    HG2  LYS  21           HG2      LYS  21 133.154  -4.223  -2.442
  154    HG3  LYS  21           HG3      LYS  21 132.320  -5.017  -1.093
  155    HD2  LYS  21           HD2      LYS  21 132.353  -7.151  -2.266
  156    HD3  LYS  21           HD3      LYS  21 132.970  -6.378  -3.747
  157    HE2  LYS  21           HE2      LYS  21 135.022  -5.691  -2.565
  158    HE3  LYS  21           HE3      LYS  21 134.437  -6.425  -1.065
  159    HZ1  LYS  21           HZ1      LYS  21 134.939  -7.948  -3.573
  160    HZ2  LYS  21           HZ2      LYS  21 136.008  -7.831  -2.342
  161    HZ3  LYS  21           HZ3      LYS  21 134.564  -8.590  -2.111
  162    H    GLY  22           H        GLY  22 132.154  -2.303  -0.718
  163    HA2  GLY  22           HA2      GLY  22 132.679   0.194  -2.110
  164    HA3  GLY  22           HA3      GLY  22 133.479  -0.390  -0.656
  165    HA   PRO  23           HA       PRO  23 136.254  -0.833  -4.483
  166    HB2  PRO  23           HB2      PRO  23 137.754   1.439  -4.488
  167    HB3  PRO  23           HB3      PRO  23 136.107   1.374  -5.186
  168    HG2  PRO  23           HG2      PRO  23 136.917   2.328  -2.422
  169    HG3  PRO  23           HG3      PRO  23 135.884   3.174  -3.620
  170    HD2  PRO  23           HD2      PRO  23 134.815   1.684  -1.591
  171    HD3  PRO  23           HD3      PRO  23 134.066   1.735  -3.214
  172    H    LYS  24           H        LYS  24 138.442  -1.426  -4.532
  173    HA   LYS  24           HA       LYS  24 139.655  -2.466  -2.177
  174    HB2  LYS  24           HB2      LYS  24 139.992  -3.288  -4.514
  175    HB3  LYS  24           HB3      LYS  24 140.831  -1.788  -4.916
  176    HG2  LYS  24           HG2      LYS  24 142.649  -2.333  -3.370
  177    HG3  LYS  24           HG3      LYS  24 141.794  -3.793  -2.826
  178    HD2  LYS  24           HD2      LYS  24 141.978  -4.789  -5.038
  179    HD3  LYS  24           HD3      LYS  24 142.610  -3.274  -5.722
  180    HE2  LYS  24           HE2      LYS  24 144.603  -3.430  -4.270
  181    HE3  LYS  24           HE3      LYS  24 143.998  -4.943  -3.575
  182    HZ1  LYS  24           HZ1      LYS  24 144.642  -4.547  -6.457
  183    HZ2  LYS  24           HZ2      LYS  24 145.622  -5.292  -5.382
  184    HZ3  LYS  24           HZ3      LYS  24 144.172  -5.960  -5.771
  185    H    GLY  25           H        GLY  25 141.339  -1.851  -0.901
  186    HA2  GLY  25           HA2      GLY  25 141.736   0.973  -0.424
  187    HA3  GLY  25           HA3      GLY  25 142.518  -0.357   0.419
  188    HA   PRO  26           HA       PRO  26 145.509   1.876  -2.502
  189    HB2  PRO  26           HB2      PRO  26 146.845   3.581  -0.852
  190    HB3  PRO  26           HB3      PRO  26 145.240   3.976  -1.540
  191    HG2  PRO  26           HG2      PRO  26 145.857   2.819   1.193
  192    HG3  PRO  26           HG3      PRO  26 144.825   4.233   0.806
  193    HD2  PRO  26           HD2      PRO  26 143.770   1.741   1.201
  194    HD3  PRO  26           HD3      PRO  26 143.089   2.867  -0.008
  195    H    LYS  27           H        LYS  27 147.783   1.589  -2.697
  196    HA   LYS  27           HA       LYS  27 148.924  -0.795  -1.686
  197    HB2  LYS  27           HB2      LYS  27 149.557   0.401  -3.791
  198    HB3  LYS  27           HB3      LYS  27 150.282   1.694  -2.828
  199    HG2  LYS  27           HG2      LYS  27 151.960   0.144  -1.934
  200    HG3  LYS  27           HG3      LYS  27 151.194  -1.219  -2.778
  201    HD2  LYS  27           HD2      LYS  27 151.733  -0.247  -4.949
  202    HD3  LYS  27           HD3      LYS  27 152.314   1.250  -4.183
  203    HE2  LYS  27           HE2      LYS  27 154.102  -0.003  -3.038
  204    HE3  LYS  27           HE3      LYS  27 153.547  -1.515  -3.773
  205    HZ1  LYS  27           HZ1      LYS  27 154.468   0.833  -5.354
  206    HZ2  LYS  27           HZ2      LYS  27 155.446  -0.403  -4.930
  207    HZ3  LYS  27           HZ3      LYS  27 154.162  -0.672  -5.931
  208    H    GLY  28           H        GLY  28 150.300  -1.319  -0.052
  209    HA2  GLY  28           HA2      GLY  28 150.266   0.243   2.345
  210    HA3  GLY  28           HA3      GLY  28 151.183  -1.236   2.081
  211    HA   PRO  29           HA       PRO  29 154.071   2.545   2.247
  212    HB2  PRO  29           HB2      PRO  29 154.893   2.565   4.853
  213    HB3  PRO  29           HB3      PRO  29 153.387   3.362   4.310
  214    HG2  PRO  29           HG2      PRO  29 153.684   0.615   5.566
  215    HG3  PRO  29           HG3      PRO  29 152.538   1.920   6.012
  216    HD2  PRO  29           HD2      PRO  29 151.833  -0.151   4.366
  217    HD3  PRO  29           HD3      PRO  29 151.182   1.501   4.141
  218    H    LYS  30           H        LYS  30 156.326   2.337   2.044
  219    HA   LYS  30           HA       LYS  30 157.355  -0.350   1.677
  220    HB2  LYS  30           HB2      LYS  30 158.780   2.345   1.576
  221    HB3  LYS  30           HB3      LYS  30 159.438   0.801   1.014
  222    HG2  LYS  30           HG2      LYS  30 157.517   0.609  -0.596
  223    HG3  LYS  30           HG3      LYS  30 157.003   2.239  -0.127
  224    HD2  LYS  30           HD2      LYS  30 159.209   3.139  -0.843
  225    HD3  LYS  30           HD3      LYS  30 159.710   1.505  -1.332
  226    HE2  LYS  30           HE2      LYS  30 157.795   1.418  -2.935
  227    HE3  LYS  30           HE3      LYS  30 157.338   3.062  -2.466
  228    HZ1  LYS  30           HZ1      LYS  30 159.927   2.310  -3.732
  229    HZ2  LYS  30           HZ2      LYS  30 158.687   3.054  -4.489
  230    HZ3  LYS  30           HZ3      LYS  30 159.498   3.831  -3.304
  231    H    GLY  31           H        GLY  31 157.374   1.619   4.484
  232    HA2  GLY  31           HA2      GLY  31 158.338  -0.249   6.254
  233    HA3  GLY  31           HA3      GLY  31 159.818   0.530   5.685
  234    HN1  NH2  32           HN1      NH2  32 158.344   3.245   5.477
  235    HN2  NH2  32           HN2      NH2  32 158.224   3.761   7.146
  236    H1   ACE  33           H1       ACE  33  73.246   0.750   6.048
  237    H2   ACE  33           H2       ACE  33  74.212   2.200   6.412
  238    H3   ACE  33           H3       ACE  33  72.615   2.364   5.645
  239    H    ASP  34           H        ASP  34  74.317   3.675   4.295
  240    HA   ASP  34           HA       ASP  34  74.702   2.383   1.761
  241    HB2  ASP  34           HB2      ASP  34  75.700   4.467   1.074
  242    HB3  ASP  34           HB3      ASP  34  74.267   4.800   2.032
  243    HA   HYP  35           HA       HYP  35  78.835   0.768   2.430
  244    HB2  HYP  35           HB2      HYP  35  79.820   0.554  -0.103
  245    HB3  HYP  35           HB3      HYP  35  78.545  -0.512   0.557
  246    HG   HYP  35           HG       HYP  35  78.232   1.904  -1.248
  247   HD22  HYP  35          HD22      HYP  35  76.330   2.612  -0.175
  248   HD23  HYP  35          HD23      HYP  35  75.844   0.956   0.289
  249    HD1  HYP  35           HD1      HYP  35  78.007  -0.215  -2.125
  250    H    GLY  36           H        GLY  36  80.742   1.691   3.000
  251    HA2  GLY  36           HA2      GLY  36  81.180   4.538   2.562
  252    HA3  GLY  36           HA3      GLY  36  82.189   3.446   3.494
  253    H    ASP  37           H        ASP  37  83.316   5.424   1.991
  254    HA   ASP  37           HA       ASP  37  84.123   4.631  -0.634
  255    HB2  ASP  37           HB2      ASP  37  85.094   6.707   1.368
  256    HB3  ASP  37           HB3      ASP  37  85.755   6.558  -0.248
  257    HA   HYP  38           HA       HYP  38  87.825   2.160   0.020
  258    HB2  HYP  38           HB2      HYP  38  89.254   4.078  -1.799
  259    HB3  HYP  38           HB3      HYP  38  89.190   2.298  -1.879
  260    HG   HYP  38           HG       HYP  38  87.728   3.904  -3.553
  261   HD22  HYP  38          HD22      HYP  38  86.557   5.210  -2.015
  262   HD23  HYP  38          HD23      HYP  38  85.400   3.855  -2.149
  263    HD1  HYP  38           HD1      HYP  38  87.509   1.664  -3.655
  264    H    GLY  39           H        GLY  39  89.832   2.121   1.078
  265    HA2  GLY  39           HA2      GLY  39  90.535   4.423   2.768
  266    HA3  GLY  39           HA3      GLY  39  91.217   2.804   2.828
  267    H    ASP  40           H        ASP  40  92.781   5.053   3.104
  268    HA   ASP  40           HA       ASP  40  93.958   5.946   0.649
  269    HB2  ASP  40           HB2      ASP  40  94.629   6.328   3.589
  270    HB3  ASP  40           HB3      ASP  40  95.458   7.153   2.276
  271    HA   HYP  41           HA       HYP  41  97.473   3.157   0.170
  272    HB2  HYP  41           HB2      HYP  41  99.065   5.645  -0.375
  273    HB3  HYP  41           HB3      HYP  41  98.978   4.139  -1.327
  274    HG   HYP  41           HG       HYP  41  97.668   6.442  -2.056
  275   HD22  HYP  41          HD22      HYP  41  96.361   6.862  -0.174
  276   HD23  HYP  41          HD23      HYP  41  95.237   5.763  -1.023
  277    HD1  HYP  41           HD1      HYP  41  97.446   4.577  -3.291
  278    H    GLY  42           H        GLY  42  99.391   2.477   1.178
  279    HA2  GLY  42           HA2      GLY  42 100.077   3.577   3.806
  280    HA3  GLY  42           HA3      GLY  42 100.792   2.184   3.014
  281    H    ASP  43           H        ASP  43 102.311   4.000   4.456
  282    HA   ASP  43           HA       ASP  43 103.676   5.852   2.661
  283    HB2  ASP  43           HB2      ASP  43 103.809   5.157   5.595
  284    HB3  ASP  43           HB3      ASP  43 105.108   6.068   4.849
  285    HA   HYP  44           HA       HYP  44 106.978   3.450   1.155
  286    HB2  HYP  44           HB2      HYP  44 109.022   5.391   2.167
  287    HB3  HYP  44           HB3      HYP  44 108.754   4.801   0.506
  288    HG   HYP  44           HG       HYP  44 107.987   7.304   1.357
  289   HD22  HYP  44          HD22      HYP  44 106.570   6.762   3.123
  290   HD23  HYP  44          HD23      HYP  44 105.373   6.711   1.801
  291    HD1  HYP  44           HD1      HYP  44 107.603   6.598  -0.761
  292    H    GLY  45           H        GLY  45 108.602   1.957   1.577
  293    HA2  GLY  45           HA2      GLY  45 109.244   1.041   4.239
  294    HA3  GLY  45           HA3      GLY  45 110.021   0.575   2.749
  295    H    ASP  46           H        ASP  46 111.353   0.840   5.180
  296    HA   ASP  46           HA       ASP  46 112.874   3.285   5.329
  297    HB2  ASP  46           HB2      ASP  46 113.161   0.485   6.486
  298    HB3  ASP  46           HB3      ASP  46 114.308   1.772   6.809
  299    HA   HYP  47           HA       HYP  47 116.030   2.567   2.236
  300    HB2  HYP  47           HB2      HYP  47 118.065   3.202   4.347
  301    HB3  HYP  47           HB3      HYP  47 117.897   3.882   2.706
  302    HG   HYP  47           HG       HYP  47 117.121   5.232   4.966
  303   HD22  HYP  47          HD22      HYP  47 115.575   3.756   5.903
  304   HD23  HYP  47          HD23      HYP  47 114.458   4.605   4.798
  305    HD1  HYP  47           HD1      HYP  47 115.723   6.384   3.634
  306    H    GLY  48           H        GLY  48 117.533   1.045   1.533
  307    HA2  GLY  48           HA2      GLY  48 117.737  -1.479   2.906
  308    HA3  GLY  48           HA3      GLY  48 118.612  -1.006   1.464
  309    H    ASP  49           H        ASP  49 119.749  -2.643   3.372
  310    HA   ASP  49           HA       ASP  49 121.335  -1.257   5.301
  311    HB2  ASP  49           HB2      ASP  49 121.416  -4.035   4.064
  312    HB3  ASP  49           HB3      ASP  49 122.528  -3.509   5.317
  313    HA   HYP  50           HA       HYP  50 124.849   0.148   2.924
  314    HB2  HYP  50           HB2      HYP  50 126.590  -1.070   5.049
  315    HB3  HYP  50           HB3      HYP  50 126.619   0.587   4.390
  316    HG   HYP  50           HG       HYP  50 125.548  -0.023   6.846
  317   HD22  HYP  50          HD22      HYP  50 123.946  -1.613   6.267
  318   HD23  HYP  50          HD23      HYP  50 122.948  -0.148   6.047
  319    HD1  HYP  50           HD1      HYP  50 125.491   2.092   6.074
  320    H    GLY  51           H        GLY  51 126.351  -0.606   1.433
  321    HA2  GLY  51           HA2      GLY  51 126.627  -3.432   0.842
  322    HA3  GLY  51           HA3      GLY  51 127.564  -2.119   0.149
  323    H    ASP  52           H        ASP  52 128.738  -4.585   0.748
  324    HA   ASP  52           HA       ASP  52 130.025  -4.606   3.304
  325    HB2  ASP  52           HB2      ASP  52 130.362  -6.104   0.696
  326    HB3  ASP  52           HB3      ASP  52 131.519  -6.296   1.998
  327    HA   HYP  53           HA       HYP  53 133.590  -1.920   2.672
  328    HB2  HYP  53           HB2      HYP  53 135.140  -4.107   4.026
  329    HB3  HYP  53           HB3      HYP  53 135.122  -2.361   4.386
  330    HG   HYP  53           HG       HYP  53 133.800  -4.202   5.924
  331   HD22  HYP  53          HD22      HYP  53 132.426  -5.231   4.336
  332   HD23  HYP  53          HD23      HYP  53 131.338  -3.886   4.785
  333    HD1  HYP  53           HD1      HYP  53 132.402  -2.527   6.518
  334    H    GLY  54           H        GLY  54 135.313  -1.707   1.248
  335    HA2  GLY  54           HA2      GLY  54 135.777  -3.701  -0.801
  336    HA3  GLY  54           HA3      GLY  54 136.694  -2.223  -0.544
  337    H    ASP  55           H        ASP  55 137.923  -4.588  -1.360
  338    HA   ASP  55           HA       ASP  55 139.061  -6.078   0.811
  339    HB2  ASP  55           HB2      ASP  55 139.634  -5.780  -2.154
  340    HB3  ASP  55           HB3      ASP  55 140.680  -6.731  -1.115
  341    HA   HYP  56           HA       HYP  56 142.581  -3.558   2.056
  342    HB2  HYP  56           HB2      HYP  56 144.213  -6.065   1.776
  343    HB3  HYP  56           HB3      HYP  56 144.119  -4.939   3.155
  344    HG   HYP  56           HG       HYP  56 142.879  -7.385   3.139
  345   HD22  HYP  56          HD22      HYP  56 141.527  -7.215   1.245
  346   HD23  HYP  56          HD23      HYP  56 140.398  -6.481   2.419
  347    HD1  HYP  56           HD1      HYP  56 141.450  -6.534   4.654
  348    H    GLY  57           H        GLY  57 144.363  -2.500   1.120
  349    HA2  GLY  57           HA2      GLY  57 144.973  -2.817  -1.698
  350    HA3  GLY  57           HA3      GLY  57 145.882  -1.871  -0.527
  351    H    ASP  58           H        ASP  58 147.235  -3.235  -2.511
  352    HA   ASP  58           HA       ASP  58 148.288  -5.758  -1.523
  353    HB2  ASP  58           HB2      ASP  58 148.936  -3.852  -3.788
  354    HB3  ASP  58           HB3      ASP  58 150.033  -5.153  -3.375
  355    HA   HYP  59           HA       HYP  59 151.466  -4.423   1.217
  356    HB2  HYP  59           HB2      HYP  59 153.491  -5.975  -0.356
  357    HB3  HYP  59           HB3      HYP  59 153.133  -6.040   1.389
  358    HG   HYP  59           HG       HYP  59 152.300  -7.951  -0.429
  359   HD22  HYP  59          HD22      HYP  59 150.926  -6.755  -1.849
  360   HD23  HYP  59          HD23      HYP  59 149.715  -7.010  -0.563
  361    HD1  HYP  59           HD1      HYP  59 151.886  -8.134   1.786
  362    H    GLY  60           H        GLY  60 153.261  -3.026   1.489
  363    HA2  GLY  60           HA2      GLY  60 154.165  -1.308  -0.683
  364    HA3  GLY  60           HA3      GLY  60 154.898  -1.458   0.914
  365    H    ASP  61           H        ASP  61 156.502  -1.179  -1.365
  366    HA   ASP  61           HA       ASP  61 157.552  -3.672  -2.329
  367    HB2  ASP  61           HB2      ASP  61 158.608  -0.820  -2.177
  368    HB3  ASP  61           HB3      ASP  61 159.488  -2.132  -2.925
  369    HA   HYP  62           HA       HYP  62 159.982  -5.232   0.941
  370    HB2  HYP  62           HB2      HYP  62 162.426  -5.095  -0.824
  371    HB3  HYP  62           HB3      HYP  62 161.858  -6.441   0.208
  372    HG   HYP  62           HG       HYP  62 161.415  -6.425  -2.478
  373   HD22  HYP  62          HD22      HYP  62 160.409  -4.332  -2.770
  374   HD23  HYP  62          HD23      HYP  62 158.933  -5.285  -2.452
  375    HD1  HYP  62           HD1      HYP  62 159.497  -7.598  -2.068
  376    H    GLY  63           H        GLY  63 160.988  -4.530   2.722
  377    HA2  GLY  63           HA2      GLY  63 163.162  -2.739   2.985
  378    HA3  GLY  63           HA3      GLY  63 161.688  -1.768   3.055
  379    HN1  NH2  64           HN1      NH2  64 161.357  -4.996   4.416
  380    HN2  NH2  64           HN2      NH2  64 161.474  -4.487   6.089
  381    H1   ACE  65           H1       ACE  65  79.527  -5.916   3.549
  382    H2   ACE  65           H2       ACE  65  77.856  -5.494   3.989
  383    H3   ACE  65           H3       ACE  65  79.130  -5.521   5.232
  384    HA   PRO  66           HA       PRO  66  78.434  -1.116   3.727
  385    HB2  PRO  66           HB2      PRO  66  78.915  -0.738   6.680
  386    HB3  PRO  66           HB3      PRO  66  77.835   0.172   5.581
  387    HG2  PRO  66           HG2      PRO  66  76.825  -1.742   7.211
  388    HG3  PRO  66           HG3      PRO  66  76.265  -1.619   5.511
  389    HD2  PRO  66           HD2      PRO  66  78.281  -3.540   6.692
  390    HD3  PRO  66           HD3      PRO  66  76.966  -3.854   5.521
  391    HA   HYP  67           HA       HYP  67  82.924  -0.235   5.600
  392    HB2  HYP  67           HB2      HYP  67  83.869  -3.084   5.284
  393    HB3  HYP  67           HB3      HYP  67  84.527  -1.792   6.332
  394    HG   HYP  67           HG       HYP  67  82.856  -3.675   7.341
  395   HD22  HYP  67          HD22      HYP  67  81.139  -3.617   5.769
  396   HD23  HYP  67          HD23      HYP  67  80.479  -2.426   6.924
  397    HD1  HYP  67           HD1      HYP  67  83.424  -1.864   8.589
  398    H    GLY  68           H        GLY  68  83.907   0.848   4.025
  399    HA2  GLY  68           HA2      GLY  68  84.146  -0.038   1.270
  400    HA3  GLY  68           HA3      GLY  68  84.960   1.342   2.004
  401    HA   PRO  69           HA       PRO  69  87.693  -2.530   1.445
  402    HB2  PRO  69           HB2      PRO  69  89.118  -2.010  -0.848
  403    HB3  PRO  69           HB3      PRO  69  87.519  -2.812  -0.815
  404    HG2  PRO  69           HG2      PRO  69  88.124   0.115  -1.304
  405    HG3  PRO  69           HG3      PRO  69  87.061  -0.967  -2.260
  406    HD2  PRO  69           HD2      PRO  69  86.048   0.715  -0.373
  407    HD3  PRO  69           HD3      PRO  69  85.374  -0.925  -0.605
  408    HA   HYP  70           HA       HYP  70  91.264  -0.378   3.327
  409    HB2  HYP  70           HB2      HYP  70  92.816  -2.721   2.269
  410    HB3  HYP  70           HB3      HYP  70  92.827  -2.021   3.908
  411    HG   HYP  70           HG       HYP  70  91.518  -4.358   3.281
  412   HD22  HYP  70          HD22      HYP  70  90.050  -3.665   1.615
  413   HD23  HYP  70          HD23      HYP  70  89.039  -3.247   3.031
  414    HD1  HYP  70           HD1      HYP  70  91.443  -3.542   5.375
  415    H    GLY  71           H        GLY  71  93.097   0.812   2.673
  416    HA2  GLY  71           HA2      GLY  71  93.528   1.225  -0.205
  417    HA3  GLY  71           HA3      GLY  71  94.374   2.022   1.109
  418    HA   PRO  72           HA       PRO  72  96.818  -1.557  -0.843
  419    HB2  PRO  72           HB2      PRO  72  98.497  -0.321  -2.626
  420    HB3  PRO  72           HB3      PRO  72  96.817  -0.794  -3.020
  421    HG2  PRO  72           HG2      PRO  72  97.817   1.922  -2.107
  422    HG3  PRO  72           HG3      PRO  72  96.772   1.548  -3.517
  423    HD2  PRO  72           HD2      PRO  72  95.717   2.357  -1.140
  424    HD3  PRO  72           HD3      PRO  72  94.906   1.114  -2.137
  425    HA   HYP  73           HA       HYP  73 100.512  -0.969   1.751
  426    HB2  HYP  73           HB2      HYP  73 102.028  -2.287  -0.482
  427    HB3  HYP  73           HB3      HYP  73 102.047  -2.666   1.261
  428    HG   HYP  73           HG       HYP  73 100.698  -4.193  -0.582
  429   HD22  HYP  73          HD22      HYP  73  99.280  -2.618  -1.550
  430   HD23  HYP  73          HD23      HYP  73  98.241  -3.096  -0.176
  431    HD1  HYP  73           HD1      HYP  73 100.621  -4.709   1.610
  432    H    GLY  74           H        GLY  74 102.368   0.363   1.880
  433    HA2  GLY  74           HA2      GLY  74 102.684   2.446  -0.113
  434    HA3  GLY  74           HA3      GLY  74 103.696   2.200   1.305
  435    HA   PRO  75           HA       PRO  75 105.791   0.845  -2.709
  436    HB2  PRO  75           HB2      PRO  75 107.604   3.092  -2.822
  437    HB3  PRO  75           HB3      PRO  75 106.317   2.634  -3.964
  438    HG2  PRO  75           HG2      PRO  75 106.306   4.857  -2.169
  439    HG3  PRO  75           HG3      PRO  75 104.965   4.277  -3.186
  440    HD2  PRO  75           HD2      PRO  75 105.376   3.916  -0.285
  441    HD3  PRO  75           HD3      PRO  75 103.890   3.771  -1.259
  442    HA   HYP  76           HA       HYP  76 109.427  -0.793  -0.571
  443    HB2  HYP  76           HB2      HYP  76 110.963  -0.211  -3.086
  444    HB3  HYP  76           HB3      HYP  76 110.893  -1.722  -2.142
  445    HG   HYP  76           HG       HYP  76 109.535  -1.366  -4.509
  446   HD22  HYP  76          HD22      HYP  76 108.208   0.485  -4.039
  447   HD23  HYP  76          HD23      HYP  76 107.124  -0.773  -3.377
  448    HD1  HYP  76           HD1      HYP  76 109.349  -3.302  -3.393
  449    H    GLY  77           H        GLY  77 111.270  -0.070   0.535
  450    HA2  GLY  77           HA2      GLY  77 111.856   2.757   0.644
  451    HA3  GLY  77           HA3      GLY  77 112.780   1.474   1.419
  452    HA   PRO  78           HA       PRO  78 114.935   3.176  -2.464
  453    HB2  PRO  78           HB2      PRO  78 116.832   4.816  -1.030
  454    HB3  PRO  78           HB3      PRO  78 115.590   5.309  -2.208
  455    HG2  PRO  78           HG2      PRO  78 115.566   5.764   0.620
  456    HG3  PRO  78           HG3      PRO  78 114.265   6.102  -0.549
  457    HD2  PRO  78           HD2      PRO  78 114.478   3.887   1.382
  458    HD3  PRO  78           HD3      PRO  78 113.057   4.505   0.500
  459    HA   HYP  79           HA       HYP  79 118.317   0.243  -1.925
  460    HB2  HYP  79           HB2      HYP  79 120.037   2.159  -3.466
  461    HB3  HYP  79           HB3      HYP  79 119.798   0.410  -3.721
  462    HG   HYP  79           HG       HYP  79 118.605   2.334  -5.288
  463   HD22  HYP  79          HD22      HYP  79 117.383   3.556  -3.731
  464   HD23  HYP  79          HD23      HYP  79 116.185   2.264  -4.028
  465    HD1  HYP  79           HD1      HYP  79 118.228   0.148  -5.672
  466    H    GLY  80           H        GLY  80 120.092  -0.128  -0.621
  467    HA2  GLY  80           HA2      GLY  80 120.800   1.802   1.394
  468    HA3  GLY  80           HA3      GLY  80 121.548   0.226   1.144
  469    HA   PRO  81           HA       PRO  81 124.314   3.820  -0.279
  470    HB2  PRO  81           HB2      PRO  81 125.965   4.244   1.864
  471    HB3  PRO  81           HB3      PRO  81 124.339   4.981   1.731
  472    HG2  PRO  81           HG2      PRO  81 125.127   2.457   3.212
  473    HG3  PRO  81           HG3      PRO  81 124.170   3.841   3.830
  474    HD2  PRO  81           HD2      PRO  81 122.978   1.580   2.866
  475    HD3  PRO  81           HD3      PRO  81 122.267   3.199   2.599
  476    HA   HYP  82           HA       HYP  82 127.612   1.025  -1.437
  477    HB2  HYP  82           HB2      HYP  82 129.823   2.830  -1.446
  478    HB3  HYP  82           HB3      HYP  82 128.759   2.401  -2.803
  479    HG   HYP  82           HG       HYP  82 128.751   4.823  -1.073
  480   HD22  HYP  82          HD22      HYP  82 126.559   4.818  -0.471
  481   HD23  HYP  82          HD23      HYP  82 126.027   4.068  -2.002
  482    HD1  HYP  82           HD1      HYP  82 127.984   5.732  -2.978
  483    H    GLY  83           H        GLY  83 129.307  -0.185  -0.532
  484    HA2  GLY  83           HA2      GLY  83 129.925   0.066   2.292
  485    HA3  GLY  83           HA3      GLY  83 130.735  -0.982   1.131
  486    HA   PRO  84           HA       PRO  84 133.258   2.947   2.107
  487    HB2  PRO  84           HB2      PRO  84 134.904   2.212   4.176
  488    HB3  PRO  84           HB3      PRO  84 133.258   2.873   4.415
  489    HG2  PRO  84           HG2      PRO  84 134.101  -0.041   4.358
  490    HG3  PRO  84           HG3      PRO  84 133.099   0.793   5.591
  491    HD2  PRO  84           HD2      PRO  84 131.966  -0.636   3.568
  492    HD3  PRO  84           HD3      PRO  84 131.234   0.890   4.142
  493    HA   HYP  85           HA       HYP  85 136.858   1.377  -0.180
  494    HB2  HYP  85           HB2      HYP  85 138.483   3.222   1.543
  495    HB3  HYP  85           HB3      HYP  85 138.501   3.040  -0.231
  496    HG   HYP  85           HG       HYP  85 137.271   5.146   1.034
  497   HD22  HYP  85          HD22      HYP  85 135.788   4.027   2.447
  498   HD23  HYP  85          HD23      HYP  85 134.745   4.129   0.998
  499    HD1  HYP  85           HD1      HYP  85 137.189   4.946  -1.212
  500    H    GLY  86           H        GLY  86 138.434  -0.205   0.142
  501    HA2  GLY  86           HA2      GLY  86 138.682  -1.536   2.689
  502    HA3  GLY  86           HA3      GLY  86 139.673  -1.827   1.264
  503    HA   PRO  87           HA       PRO  87 141.989   0.590   4.642
  504    HB2  PRO  87           HB2      PRO  87 143.481  -1.357   5.874
  505    HB3  PRO  87           HB3      PRO  87 141.802  -0.961   6.348
  506    HG2  PRO  87           HG2      PRO  87 142.744  -3.166   4.493
  507    HG3  PRO  87           HG3      PRO  87 141.617  -3.302   5.882
  508    HD2  PRO  87           HD2      PRO  87 140.704  -3.055   3.327
  509    HD3  PRO  87           HD3      PRO  87 139.872  -2.247   4.688
  510    HA   HYP  88           HA       HYP  88 145.832   0.765   2.224
  511    HB2  HYP  88           HB2      HYP  88 147.230   0.931   4.876
  512    HB3  HYP  88           HB3      HYP  88 147.431   1.965   3.436
  513    HG   HYP  88           HG       HYP  88 146.036   2.771   5.652
  514   HD22  HYP  88          HD22      HYP  88 144.439   1.073   5.831
  515   HD23  HYP  88          HD23      HYP  88 143.539   2.149   4.725
  516    HD1  HYP  88           HD1      HYP  88 144.901   4.160   4.283
  517    H    GLY  89           H        GLY  89 147.347  -0.739   1.533
  518    HA2  GLY  89           HA2      GLY  89 147.191  -3.424   2.449
  519    HA3  GLY  89           HA3      GLY  89 148.431  -2.790   1.368
  520    HA   PRO  90           HA       PRO  90 150.112  -3.822   5.661
  521    HB2  PRO  90           HB2      PRO  90 151.513  -6.179   4.749
  522    HB3  PRO  90           HB3      PRO  90 150.241  -6.038   5.994
  523    HG2  PRO  90           HG2      PRO  90 149.933  -7.243   3.445
  524    HG3  PRO  90           HG3      PRO  90 148.635  -6.728   4.540
  525    HD2  PRO  90           HD2      PRO  90 149.656  -5.335   2.117
  526    HD3  PRO  90           HD3      PRO  90 148.028  -5.338   2.845
  527    HA   HYP  91           HA       HYP  91 153.848  -1.789   4.792
  528    HB2  HYP  91           HB2      HYP  91 155.602  -2.909   6.753
  529    HB3  HYP  91           HB3      HYP  91 154.558  -1.477   6.894
  530    HG   HYP  91           HG       HYP  91 154.172  -4.211   7.980
  531   HD22  HYP  91          HD22      HYP  91 152.237  -4.767   6.975
  532   HD23  HYP  91          HD23      HYP  91 151.566  -3.125   7.178
  533    HD1  HYP  91           HD1      HYP  91 154.096  -2.390   9.327
  534    H    GLY  92           H        GLY  92 156.082  -1.934   4.067
  535    HA2  GLY  92           HA2      GLY  92 156.543  -3.857   2.134
  536    HA3  GLY  92           HA3      GLY  92 157.776  -2.793   2.792
  537    HA   PRO  93           HA       PRO  93 157.960  -7.227   4.764
  538    HB2  PRO  93           HB2      PRO  93 158.411  -9.157   2.855
  539    HB3  PRO  93           HB3      PRO  93 156.781  -8.577   3.301
  540    HG2  PRO  93           HG2      PRO  93 158.513  -7.676   0.983
  541    HG3  PRO  93           HG3      PRO  93 156.793  -8.189   0.944
  542    HD2  PRO  93           HD2      PRO  93 157.521  -5.570   1.056
  543    HD3  PRO  93           HD3      PRO  93 156.077  -6.172   1.927
  544    HA   HYP  94           HA       HYP  94 162.442  -7.204   4.639
  545    HB2  HYP  94           HB2      HYP  94 163.219  -9.696   5.474
  546    HB3  HYP  94           HB3      HYP  94 162.487  -8.460   6.535
  547    HG   HYP  94           HG       HYP  94 161.136 -10.823   5.195
  548   HD22  HYP  94          HD22      HYP  94 159.175  -9.644   4.895
  549   HD23  HYP  94          HD23      HYP  94 159.502  -8.527   6.248
  550    HD1  HYP  94           HD1      HYP  94 161.664 -10.939   7.441
  551    H    GLY  95           H        GLY  95 160.740  -9.337   2.503
  552    HA2  GLY  95           HA2      GLY  95 162.498  -8.850   0.341
  553    HA3  GLY  95           HA3      GLY  95 162.828 -10.475   0.948
  554    HN1  NH2  96           HN1      NH2  96 161.972 -10.343  -1.609
  555    HN2  NH2  96           HN2      NH2  96 160.303 -10.861  -1.737
  Start of MODEL    3
    1    H1   ACE   1           H1       ACE   1  69.996   3.274   5.186
    2    H2   ACE   1           H2       ACE   1  70.684   4.253   3.867
    3    H3   ACE   1           H3       ACE   1  70.158   2.578   3.558
    4    HA   PRO   2           HA       PRO   2  74.327   1.280   4.542
    5    HB2  PRO   2           HB2      PRO   2  75.863   1.883   2.359
    6    HB3  PRO   2           HB3      PRO   2  74.573   0.645   2.332
    7    HG2  PRO   2           HG2      PRO   2  74.406   3.532   1.418
    8    HG3  PRO   2           HG3      PRO   2  73.876   2.060   0.541
    9    HD2  PRO   2           HD2      PRO   2  72.144   3.606   1.983
   10    HD3  PRO   2           HD3      PRO   2  71.966   1.828   1.901
   11    H    LYS   3           H        LYS   3  76.584   1.945   4.837
   12    HA   LYS   3           HA       LYS   3  76.967   4.859   5.447
   13    HB2  LYS   3           HB2      LYS   3  76.248   3.496   7.432
   14    HB3  LYS   3           HB3      LYS   3  77.682   2.497   7.236
   15    HG2  LYS   3           HG2      LYS   3  77.949   4.114   9.032
   16    HG3  LYS   3           HG3      LYS   3  79.128   4.425   7.760
   17    HD2  LYS   3           HD2      LYS   3  77.815   6.332   6.944
   18    HD3  LYS   3           HD3      LYS   3  76.494   5.947   8.073
   19    HE2  LYS   3           HE2      LYS   3  77.982   6.368   9.991
   20    HE3  LYS   3           HE3      LYS   3  79.343   6.671   8.901
   21    HZ1  LYS   3           HZ1      LYS   3  76.864   8.316   9.015
   22    HZ2  LYS   3           HZ2      LYS   3  78.308   8.745   9.643
   23    HZ3  LYS   3           HZ3      LYS   3  78.139   8.600   8.027
   24    H    GLY   4           H        GLY   4  78.376   1.894   4.305
   25    HA2  GLY   4           HA3      GLY   4  80.365   1.397   3.275
   26    HA3  GLY   4           HA2      GLY   4  80.109   2.967   2.526
   27    HA   PRO   5           HA       PRO   5  83.200   4.072   6.011
   28    HB2  PRO   5           HB2      PRO   5  84.165   2.173   7.754
   29    HB3  PRO   5           HB3      PRO   5  82.666   3.113   8.016
   30    HG2  PRO   5           HG2      PRO   5  82.929   0.315   6.890
   31    HG3  PRO   5           HG3      PRO   5  81.801   0.901   8.148
   32    HD2  PRO   5           HD2      PRO   5  81.069   0.631   5.532
   33    HD3  PRO   5           HD3      PRO   5  80.434   1.956   6.556
   34    H    LYS   6           H        LYS   6  85.297   4.406   5.491
   35    HA   LYS   6           HA       LYS   6  86.528   3.001   3.341
   36    HB2  LYS   6           HB2      LYS   6  86.831   5.452   4.084
   37    HB3  LYS   6           HB3      LYS   6  87.939   4.835   5.316
   38    HG2  LYS   6           HG2      LYS   6  89.238   3.737   3.374
   39    HG3  LYS   6           HG3      LYS   6  88.181   4.608   2.285
   40    HD2  LYS   6           HD2      LYS   6  90.218   5.827   2.446
   41    HD3  LYS   6           HD3      LYS   6  88.986   6.767   3.307
   42    HE2  LYS   6           HE2      LYS   6  89.819   5.914   5.471
   43    HE3  LYS   6           HE3      LYS   6  90.968   4.852   4.644
   44    HZ1  LYS   6           HZ1      LYS   6  91.037   7.820   4.425
   45    HZ2  LYS   6           HZ2      LYS   6  91.966   6.959   5.458
   46    HZ3  LYS   6           HZ3      LYS   6  92.174   6.772   3.853
   47    H    GLY   7           H        GLY   7  88.175   1.551   3.195
   48    HA2  GLY   7           HA2      GLY   7  88.850  -0.222   5.365
   49    HA3  GLY   7           HA3      GLY   7  89.590  -0.180   3.768
   50    HA   PRO   8           HA       PRO   8  92.416   1.655   7.104
   51    HB2  PRO   8           HB2      PRO   8  93.956  -0.436   7.921
   52    HB3  PRO   8           HB3      PRO   8  92.303  -0.160   8.554
   53    HG2  PRO   8           HG2      PRO   8  93.138  -2.006   6.292
   54    HG3  PRO   8           HG3      PRO   8  92.141  -2.412   7.730
   55    HD2  PRO   8           HD2      PRO   8  90.997  -1.759   5.341
   56    HD3  PRO   8           HD3      PRO   8  90.282  -1.229   6.892
   57    H    LYS   9           H        LYS   9  94.628   2.178   6.988
   58    HA   LYS   9           HA       LYS   9  95.892   2.289   4.437
   59    HB2  LYS   9           HB2      LYS   9  96.208   3.918   6.312
   60    HB3  LYS   9           HB3      LYS   9  96.987   2.657   7.263
   61    HG2  LYS   9           HG2      LYS   9  98.856   2.555   5.700
   62    HG3  LYS   9           HG3      LYS   9  98.067   3.729   4.620
   63    HD2  LYS   9           HD2      LYS   9  98.237   5.481   6.317
   64    HD3  LYS   9           HD3      LYS   9  98.732   4.304   7.536
   65    HE2  LYS   9           HE2      LYS   9 100.706   5.408   6.978
   66    HE3  LYS   9           HE3      LYS   9 100.814   3.836   6.191
   67    HZ1  LYS   9           HZ1      LYS   9 100.046   6.380   4.841
   68    HZ2  LYS   9           HZ2      LYS   9 101.530   5.691   4.793
   69    HZ3  LYS   9           HZ3      LYS   9 100.238   4.933   4.074
   70    H    GLY  10           H        GLY  10  97.562   1.138   3.479
   71    HA2  GLY  10           HA2      GLY  10  97.797  -1.645   4.104
   72    HA3  GLY  10           HA3      GLY  10  98.687  -0.760   2.870
   73    HA   PRO  11           HA       PRO  11 101.428  -2.017   6.541
   74    HB2  PRO  11           HB2      PRO  11 102.811  -4.146   5.510
   75    HB3  PRO  11           HB3      PRO  11 101.197  -4.300   6.268
   76    HG2  PRO  11           HG2      PRO  11 101.842  -4.033   3.314
   77    HG3  PRO  11           HG3      PRO  11 100.804  -5.265   4.107
   78    HD2  PRO  11           HD2      PRO  11  99.713  -3.056   2.972
   79    HD3  PRO  11           HD3      PRO  11  99.089  -3.684   4.522
   80    H    LYS  12           H        LYS  12 103.594  -1.545   6.833
   81    HA   LYS  12           HA       LYS  12 104.916   0.233   5.036
   82    HB2  LYS  12           HB2      LYS  12 105.170   0.188   7.542
   83    HB3  LYS  12           HB3      LYS  12 105.969  -1.370   7.428
   84    HG2  LYS  12           HG2      LYS  12 107.900  -0.431   6.367
   85    HG3  LYS  12           HG3      LYS  12 107.076   1.110   6.055
   86    HD2  LYS  12           HD2      LYS  12 106.976   1.657   8.391
   87    HD3  LYS  12           HD3      LYS  12 107.542   0.057   8.883
   88    HE2  LYS  12           HE2      LYS  12 109.234   1.902   7.142
   89    HE3  LYS  12           HE3      LYS  12 109.211   2.054   8.903
   90    HZ1  LYS  12           HZ1      LYS  12 109.977  -0.438   7.472
   91    HZ2  LYS  12           HZ2      LYS  12 111.025   0.611   8.175
   92    HZ3  LYS  12           HZ3      LYS  12 109.971  -0.227   9.098
   93    H    GLY  13           H        GLY  13 106.631   0.031   3.631
   94    HA2  GLY  13           HA2      GLY  13 106.775  -2.417   2.173
   95    HA3  GLY  13           HA3      GLY  13 107.714  -0.958   1.875
   96    HA   PRO  14           HA       PRO  14 110.346  -4.463   3.699
   97    HB2  PRO  14           HB2      PRO  14 111.531  -5.560   1.501
   98    HB3  PRO  14           HB3      PRO  14 109.889  -6.021   2.044
   99    HG2  PRO  14           HG2      PRO  14 110.642  -4.008  -0.095
  100    HG3  PRO  14           HG3      PRO  14 109.464  -5.354  -0.218
  101    HD2  PRO  14           HD2      PRO  14 108.671  -2.805   0.354
  102    HD3  PRO  14           HD3      PRO  14 107.882  -4.220   1.111
  103    H    LYS  15           H        LYS  15 112.550  -4.399   4.108
  104    HA   LYS  15           HA       LYS  15 114.013  -1.972   3.721
  105    HB2  LYS  15           HB2      LYS  15 114.327  -3.615   5.601
  106    HB3  LYS  15           HB3      LYS  15 114.985  -4.786   4.450
  107    HG2  LYS  15           HG2      LYS  15 116.908  -3.332   3.994
  108    HG3  LYS  15           HG3      LYS  15 116.219  -2.049   5.016
  109    HD2  LYS  15           HD2      LYS  15 116.439  -3.443   7.011
  110    HD3  LYS  15           HD3      LYS  15 116.859  -4.851   6.031
  111    HE2  LYS  15           HE2      LYS  15 118.872  -4.076   7.011
  112    HE3  LYS  15           HE3      LYS  15 118.949  -3.734   5.285
  113    HZ1  LYS  15           HZ1      LYS  15 118.272  -1.731   7.385
  114    HZ2  LYS  15           HZ2      LYS  15 119.743  -1.906   6.685
  115    HZ3  LYS  15           HZ3      LYS  15 118.459  -1.393   5.780
  116    H    GLY  16           H        GLY  16 115.590  -1.360   2.293
  117    HA2  GLY  16           HA2      GLY  16 115.555  -2.426  -0.357
  118    HA3  GLY  16           HA3      GLY  16 116.643  -1.186   0.249
  119    HA   PRO  17           HA       PRO  17 118.905  -5.297  -0.483
  120    HB2  PRO  17           HB2      PRO  17 120.023  -4.962  -2.953
  121    HB3  PRO  17           HB3      PRO  17 118.349  -5.552  -2.714
  122    HG2  PRO  17           HG2      PRO  17 119.255  -2.724  -3.315
  123    HG3  PRO  17           HG3      PRO  17 117.965  -3.666  -4.132
  124    HD2  PRO  17           HD2      PRO  17 117.418  -1.868  -2.144
  125    HD3  PRO  17           HD3      PRO  17 116.486  -3.385  -2.323
  126    H    LYS  18           H        LYS  18 121.101  -5.620  -0.151
  127    HA   LYS  18           HA       LYS  18 122.631  -3.531   1.061
  128    HB2  LYS  18           HB2      LYS  18 122.690  -5.978   1.595
  129    HB3  LYS  18           HB3      LYS  18 123.458  -6.289   0.037
  130    HG2  LYS  18           HG2      LYS  18 125.443  -5.036   0.705
  131    HG3  LYS  18           HG3      LYS  18 124.667  -4.541   2.226
  132    HD2  LYS  18           HD2      LYS  18 124.612  -6.833   3.021
  133    HD3  LYS  18           HD3      LYS  18 125.126  -7.448   1.432
  134    HE2  LYS  18           HE2      LYS  18 127.269  -6.256   1.634
  135    HE3  LYS  18           HE3      LYS  18 126.803  -5.628   3.225
  136    HZ1  LYS  18           HZ1      LYS  18 126.918  -8.541   2.643
  137    HZ2  LYS  18           HZ2      LYS  18 128.231  -7.721   3.135
  138    HZ3  LYS  18           HZ3      LYS  18 126.900  -7.822   4.121
  139    H    GLY  19           H        GLY  19 124.540  -2.509   0.497
  140    HA2  GLY  19           HA2      GLY  19 124.817  -1.731  -2.284
  141    HA3  GLY  19           HA3      GLY  19 125.803  -1.188  -0.936
  142    HA   PRO  20           HA       PRO  20 128.192  -4.228  -3.693
  143    HB2  PRO  20           HB2      PRO  20 129.631  -2.581  -5.321
  144    HB3  PRO  20           HB3      PRO  20 127.929  -3.016  -5.660
  145    HG2  PRO  20           HG2      PRO  20 128.964  -0.522  -4.272
  146    HG3  PRO  20           HG3      PRO  20 127.821  -0.618  -5.651
  147    HD2  PRO  20           HD2      PRO  20 126.930  -0.373  -3.088
  148    HD3  PRO  20           HD3      PRO  20 126.072  -1.394  -4.275
  149    H    LYS  21           H        LYS  21 130.445  -4.751  -3.605
  150    HA   LYS  21           HA       LYS  21 131.848  -4.045  -1.223
  151    HB2  LYS  21           HB2      LYS  21 132.026  -6.194  -2.564
  152    HB3  LYS  21           HB3      LYS  21 132.978  -5.302  -3.759
  153    HG2  LYS  21           HG2      LYS  21 134.600  -4.741  -1.875
  154    HG3  LYS  21           HG3      LYS  21 133.673  -5.789  -0.825
  155    HD2  LYS  21           HD2      LYS  21 135.529  -7.053  -1.537
  156    HD3  LYS  21           HD3      LYS  21 134.170  -7.678  -2.491
  157    HE2  LYS  21           HE2      LYS  21 134.865  -6.275  -4.411
  158    HE3  LYS  21           HE3      LYS  21 136.143  -5.535  -3.431
  159    HZ1  LYS  21           HZ1      LYS  21 136.044  -8.440  -4.079
  160    HZ2  LYS  21           HZ2      LYS  21 136.953  -7.352  -4.891
  161    HZ3  LYS  21           HZ3      LYS  21 137.276  -7.651  -3.320
  162    H    GLY  22           H        GLY  22 133.641  -2.779  -0.810
  163    HA2  GLY  22           HA2      GLY  22 134.189  -0.467  -2.518
  164    HA3  GLY  22           HA3      GLY  22 134.957  -0.853  -0.987
  165    HA   PRO  23           HA       PRO  23 137.835  -1.821  -4.630
  166    HB2  PRO  23           HB2      PRO  23 139.401   0.398  -4.813
  167    HB3  PRO  23           HB3      PRO  23 137.772   0.315  -5.549
  168    HG2  PRO  23           HG2      PRO  23 138.533   1.496  -2.855
  169    HG3  PRO  23           HG3      PRO  23 137.580   2.268  -4.164
  170    HD2  PRO  23           HD2      PRO  23 136.367   1.018  -2.064
  171    HD3  PRO  23           HD3      PRO  23 135.696   0.925  -3.717
  172    H    LYS  24           H        LYS  24 140.078  -2.338  -4.588
  173    HA   LYS  24           HA       LYS  24 141.181  -3.318  -2.170
  174    HB2  LYS  24           HB2      LYS  24 141.664  -4.139  -4.480
  175    HB3  LYS  24           HB3      LYS  24 142.475  -2.618  -4.849
  176    HG2  LYS  24           HG2      LYS  24 144.253  -3.106  -3.252
  177    HG3  LYS  24           HG3      LYS  24 143.420  -4.584  -2.717
  178    HD2  LYS  24           HD2      LYS  24 143.686  -5.591  -4.918
  179    HD3  LYS  24           HD3      LYS  24 144.295  -4.065  -5.597
  180    HE2  LYS  24           HE2      LYS  24 146.265  -4.165  -4.114
  181    HE3  LYS  24           HE3      LYS  24 145.684  -5.693  -3.421
  182    HZ1  LYS  24           HZ1      LYS  24 146.353  -5.293  -6.296
  183    HZ2  LYS  24           HZ2      LYS  24 147.346  -5.996  -5.208
  184    HZ3  LYS  24           HZ3      LYS  24 145.922  -6.715  -5.603
  185    H    GLY  25           H        GLY  25 142.790  -2.697  -0.804
  186    HA2  GLY  25           HA2      GLY  25 143.186   0.149  -0.355
  187    HA3  GLY  25           HA3      GLY  25 143.822  -1.177   0.606
  188    HA   PRO  26           HA       PRO  26 147.210   0.905  -1.955
  189    HB2  PRO  26           HB2      PRO  26 148.458   2.479  -0.116
  190    HB3  PRO  26           HB3      PRO  26 146.941   2.977  -0.926
  191    HG2  PRO  26           HG2      PRO  26 147.257   1.674   1.794
  192    HG3  PRO  26           HG3      PRO  26 146.332   3.156   1.387
  193    HD2  PRO  26           HD2      PRO  26 145.138   0.702   1.569
  194    HD3  PRO  26           HD3      PRO  26 144.612   1.916   0.365
  195    H    LYS  27           H        LYS  27 149.531   0.573  -1.881
  196    HA   LYS  27           HA       LYS  27 150.369  -1.924  -0.884
  197    HB2  LYS  27           HB2      LYS  27 151.366  -0.635  -2.853
  198    HB3  LYS  27           HB3      LYS  27 152.090   0.489  -1.703
  199    HG2  LYS  27           HG2      LYS  27 153.491  -1.323  -0.771
  200    HG3  LYS  27           HG3      LYS  27 152.669  -2.509  -1.803
  201    HD2  LYS  27           HD2      LYS  27 153.515  -1.348  -3.826
  202    HD3  LYS  27           HD3      LYS  27 154.251  -0.107  -2.816
  203    HE2  LYS  27           HE2      LYS  27 155.982  -1.580  -3.541
  204    HE3  LYS  27           HE3      LYS  27 155.767  -1.793  -1.804
  205    HZ1  LYS  27           HZ1      LYS  27 154.580  -3.604  -3.853
  206    HZ2  LYS  27           HZ2      LYS  27 155.992  -3.901  -3.098
  207    HZ3  LYS  27           HZ3      LYS  27 154.605  -3.861  -2.221
  208    H    GLY  28           H        GLY  28 151.575  -2.613   0.905
  209    HA2  GLY  28           HA2      GLY  28 151.298  -1.203   3.345
  210    HA3  GLY  28           HA3      GLY  28 152.256  -2.655   3.068
  211    HA   PRO  29           HA       PRO  29 154.866   1.277   3.844
  212    HB2  PRO  29           HB2      PRO  29 155.758   0.779   6.422
  213    HB3  PRO  29           HB3      PRO  29 154.292   1.714   6.005
  214    HG2  PRO  29           HG2      PRO  29 154.486  -1.199   6.792
  215    HG3  PRO  29           HG3      PRO  29 153.330   0.036   7.383
  216    HD2  PRO  29           HD2      PRO  29 152.632  -1.731   5.440
  217    HD3  PRO  29           HD3      PRO  29 152.084  -0.033   5.377
  218    H    LYS  30           H        LYS  30 156.953   1.296   3.295
  219    HA   LYS  30           HA       LYS  30 158.225  -1.217   2.561
  220    HB2  LYS  30           HB2      LYS  30 157.918   0.926   1.189
  221    HB3  LYS  30           HB3      LYS  30 159.228   1.631   2.142
  222    HG2  LYS  30           HG2      LYS  30 160.803  -0.034   1.234
  223    HG3  LYS  30           HG3      LYS  30 159.467  -0.932   0.503
  224    HD2  LYS  30           HD2      LYS  30 160.659   0.322  -1.192
  225    HD3  LYS  30           HD3      LYS  30 159.015   0.955  -1.024
  226    HE2  LYS  30           HE2      LYS  30 159.877   2.827   0.374
  227    HE3  LYS  30           HE3      LYS  30 161.516   2.171   0.250
  228    HZ1  LYS  30           HZ1      LYS  30 159.891   3.144  -2.048
  229    HZ2  LYS  30           HZ2      LYS  30 161.139   3.945  -1.367
  230    HZ3  LYS  30           HZ3      LYS  30 161.410   2.545  -2.160
  231    H    GLY  31           H        GLY  31 158.305   0.079   5.497
  232    HA2  GLY  31           HA2      GLY  31 160.819  -1.166   6.250
  233    HA3  GLY  31           HA3      GLY  31 160.881   0.593   6.378
  234    HN1  NH2  32           HN1      NH2  32 161.316  -0.555   8.695
  235    HN2  NH2  32           HN2      NH2  32 159.897  -0.538   9.733
  236    H1   ACE  33           H1       ACE  33  76.354  -6.269   4.704
  237    H2   ACE  33           H2       ACE  33  77.801  -6.380   3.678
  238    H3   ACE  33           H3       ACE  33  77.960  -5.967   5.401
  239    H    ASP  34           H        ASP  34  79.176  -4.323   3.716
  240    HA   ASP  34           HA       ASP  34  77.437  -2.045   3.015
  241    HB2  ASP  34           HB2      ASP  34  79.249  -2.101   5.355
  242    HB3  ASP  34           HB3      ASP  34  79.628  -0.802   4.242
  243    HA   HYP  35           HA       HYP  35  80.389  -2.046  -0.303
  244    HB2  HYP  35           HB2      HYP  35  79.457  -0.050  -1.841
  245    HB3  HYP  35           HB3      HYP  35  78.405  -1.405  -1.362
  246    HG   HYP  35           HG       HYP  35  78.583   1.348  -0.072
  247   HD22  HYP  35          HD22      HYP  35  77.125  -0.864   1.303
  248   HD23  HYP  35          HD23      HYP  35  78.154   0.428   1.990
  249    HD1  HYP  35           HD1      HYP  35  76.896   0.923  -1.608
  250    H    GLY  36           H        GLY  36  81.682  -0.990   2.013
  251    HA2  GLY  36           HA2      GLY  36  82.562   1.700   1.780
  252    HA3  GLY  36           HA3      GLY  36  83.354   0.494   2.751
  253    H    ASP  37           H        ASP  37  84.541   2.606   1.392
  254    HA   ASP  37           HA       ASP  37  85.672   1.775  -1.131
  255    HB2  ASP  37           HB2      ASP  37  85.922   4.198   0.659
  256    HB3  ASP  37           HB3      ASP  37  86.919   4.010  -0.752
  257    HA   HYP  38           HA       HYP  38  89.596   0.008   0.084
  258    HB2  HYP  38           HB2      HYP  38  90.870   1.846  -1.926
  259    HB3  HYP  38           HB3      HYP  38  91.058   0.082  -1.745
  260    HG   HYP  38           HG       HYP  38  89.506   1.230  -3.702
  261   HD22  HYP  38          HD22      HYP  38  88.005   2.490  -2.449
  262   HD23  HYP  38          HD23      HYP  38  87.119   0.941  -2.408
  263    HD1  HYP  38           HD1      HYP  38  89.662  -1.013  -3.512
  264    H    GLY  39           H        GLY  39  91.426   0.391   1.325
  265    HA2  GLY  39           HA2      GLY  39  91.824   3.015   2.579
  266    HA3  GLY  39           HA3      GLY  39  92.687   1.529   2.917
  267    H    ASP  40           H        ASP  40  94.062   3.808   2.934
  268    HA   ASP  40           HA       ASP  40  95.260   4.543   0.434
  269    HB2  ASP  40           HB2      ASP  40  95.853   5.170   3.354
  270    HB3  ASP  40           HB3      ASP  40  96.702   5.910   2.009
  271    HA   HYP  41           HA       HYP  41  98.892   1.935   0.160
  272    HB2  HYP  41           HB2      HYP  41 100.488   4.447  -0.211
  273    HB3  HYP  41           HB3      HYP  41 100.486   2.959  -1.196
  274    HG   HYP  41           HG       HYP  41  99.193   5.271  -1.953
  275   HD22  HYP  41          HD22      HYP  41  97.699   5.610  -0.208
  276   HD23  HYP  41          HD23      HYP  41  96.699   4.461  -1.144
  277    HD1  HYP  41           HD1      HYP  41  99.155   3.389  -3.224
  278    H    GLY  42           H        GLY  42 100.557   1.137   1.384
  279    HA2  GLY  42           HA2      GLY  42 101.081   2.124   4.060
  280    HA3  GLY  42           HA3      GLY  42 101.896   0.800   3.242
  281    H    ASP  43           H        ASP  43 103.275   2.504   4.930
  282    HA   ASP  43           HA       ASP  43 104.548   4.658   3.531
  283    HB2  ASP  43           HB2      ASP  43 105.092   3.218   6.154
  284    HB3  ASP  43           HB3      ASP  43 105.956   4.656   5.625
  285    HA   HYP  44           HA       HYP  44 107.941   2.697   1.483
  286    HB2  HYP  44           HB2      HYP  44 109.771   4.766   2.667
  287    HB3  HYP  44           HB3      HYP  44 109.561   4.301   0.957
  288    HG   HYP  44           HG       HYP  44 108.496   6.604   1.989
  289   HD22  HYP  44          HD22      HYP  44 107.268   5.738   3.783
  290   HD23  HYP  44          HD23      HYP  44 106.013   5.678   2.513
  291    HD1  HYP  44           HD1      HYP  44 108.056   6.085  -0.141
  292    H    GLY  45           H        GLY  45 109.628   1.239   1.762
  293    HA2  GLY  45           HA2      GLY  45 110.324   0.299   4.430
  294    HA3  GLY  45           HA3      GLY  45 110.981  -0.263   2.897
  295    H    ASP  46           H        ASP  46 112.595  -0.012   5.141
  296    HA   ASP  46           HA       ASP  46 114.029   2.500   5.187
  297    HB2  ASP  46           HB2      ASP  46 114.374  -0.235   6.458
  298    HB3  ASP  46           HB3      ASP  46 115.604   1.005   6.612
  299    HA   HYP  47           HA       HYP  47 117.143   1.819   2.048
  300    HB2  HYP  47           HB2      HYP  47 119.184   2.605   4.106
  301    HB3  HYP  47           HB3      HYP  47 118.962   3.231   2.451
  302    HG   HYP  47           HG       HYP  47 118.168   4.619   4.676
  303   HD22  HYP  47          HD22      HYP  47 116.740   3.075   5.700
  304   HD23  HYP  47          HD23      HYP  47 115.544   3.860   4.628
  305    HD1  HYP  47           HD1      HYP  47 116.660   5.642   3.348
  306    H    GLY  48           H        GLY  48 118.719   0.346   1.362
  307    HA2  GLY  48           HA2      GLY  48 119.261  -2.053   2.908
  308    HA3  GLY  48           HA3      GLY  48 120.030  -1.586   1.400
  309    H    ASP  49           H        ASP  49 121.443  -2.819   3.491
  310    HA   ASP  49           HA       ASP  49 122.802  -0.875   5.112
  311    HB2  ASP  49           HB2      ASP  49 123.203  -3.834   4.551
  312    HB3  ASP  49           HB3      ASP  49 124.082  -2.925   5.734
  313    HA   HYP  50           HA       HYP  50 126.336   0.143   2.561
  314    HB2  HYP  50           HB2      HYP  50 128.059  -0.644   4.893
  315    HB3  HYP  50           HB3      HYP  50 128.092   0.855   3.931
  316    HG   HYP  50           HG       HYP  50 126.986   0.722   6.442
  317   HD22  HYP  50          HD22      HYP  50 125.394  -0.950   6.168
  318   HD23  HYP  50          HD23      HYP  50 124.396   0.433   5.636
  319    HD1  HYP  50           HD1      HYP  50 126.936   2.649   5.285
  320    H    GLY  51           H        GLY  51 127.755  -0.882   1.185
  321    HA2  GLY  51           HA2      GLY  51 127.911  -3.759   1.060
  322    HA3  GLY  51           HA3      GLY  51 128.856  -2.614   0.115
  323    H    ASP  52           H        ASP  52 130.028  -4.966   0.905
  324    HA   ASP  52           HA       ASP  52 131.375  -4.824   3.404
  325    HB2  ASP  52           HB2      ASP  52 131.611  -6.508   0.926
  326    HB3  ASP  52           HB3      ASP  52 132.846  -6.609   2.173
  327    HA   HYP  53           HA       HYP  53 134.949  -2.207   2.589
  328    HB2  HYP  53           HB2      HYP  53 136.428  -4.263   4.203
  329    HB3  HYP  53           HB3      HYP  53 136.426  -2.490   4.383
  330    HG   HYP  53           HG       HYP  53 135.031  -4.141   6.064
  331   HD22  HYP  53          HD22      HYP  53 133.709  -5.325   4.536
  332   HD23  HYP  53          HD23      HYP  53 132.615  -3.942   4.825
  333    HD1  HYP  53           HD1      HYP  53 133.592  -2.405   6.394
  334    H    GLY  54           H        GLY  54 136.645  -2.154   1.148
  335    HA2  GLY  54           HA2      GLY  54 137.110  -4.212  -0.756
  336    HA3  GLY  54           HA3      GLY  54 138.116  -2.803  -0.484
  337    H    ASP  55           H        ASP  55 139.159  -5.186  -1.339
  338    HA   ASP  55           HA       ASP  55 140.184  -6.871   0.705
  339    HB2  ASP  55           HB2      ASP  55 140.963  -6.306  -2.181
  340    HB3  ASP  55           HB3      ASP  55 141.771  -7.511  -1.191
  341    HA   HYP  56           HA       HYP  56 143.760  -4.601   2.251
  342    HB2  HYP  56           HB2      HYP  56 145.244  -7.199   1.986
  343    HB3  HYP  56           HB3      HYP  56 145.127  -6.115   3.397
  344    HG   HYP  56           HG       HYP  56 143.733  -8.478   3.209
  345   HD22  HYP  56          HD22      HYP  56 142.537  -8.149   1.236
  346   HD23  HYP  56          HD23      HYP  56 141.377  -7.398   2.370
  347    HD1  HYP  56           HD1      HYP  56 143.461  -7.200   5.022
  348    H    GLY  57           H        GLY  57 145.586  -3.579   1.407
  349    HA2  GLY  57           HA2      GLY  57 146.298  -3.813  -1.377
  350    HA3  GLY  57           HA3      GLY  57 147.192  -2.948  -0.141
  351    H    ASP  58           H        ASP  58 148.696  -4.114  -2.043
  352    HA   ASP  58           HA       ASP  58 149.626  -6.752  -1.262
  353    HB2  ASP  58           HB2      ASP  58 150.493  -4.625  -3.233
  354    HB3  ASP  58           HB3      ASP  58 151.543  -5.977  -2.868
  355    HA   HYP  59           HA       HYP  59 152.497  -5.836   1.904
  356    HB2  HYP  59           HB2      HYP  59 154.671  -7.265   0.409
  357    HB3  HYP  59           HB3      HYP  59 154.095  -7.527   2.076
  358    HG   HYP  59           HG       HYP  59 153.453  -9.183  -0.031
  359   HD22  HYP  59          HD22      HYP  59 152.378  -7.730  -1.482
  360   HD23  HYP  59          HD23      HYP  59 150.969  -8.130  -0.462
  361    HD1  HYP  59           HD1      HYP  59 152.696  -9.595   2.053
  362    H    GLY  60           H        GLY  60 154.355  -4.619   2.574
  363    HA2  GLY  60           HA2      GLY  60 155.562  -2.653   0.810
  364    HA3  GLY  60           HA3      GLY  60 156.170  -3.117   2.380
  365    H    ASP  61           H        ASP  61 157.836  -2.580   0.239
  366    HA   ASP  61           HA       ASP  61 158.213  -4.847  -1.442
  367    HB2  ASP  61           HB2      ASP  61 158.885  -2.144  -1.682
  368    HB3  ASP  61           HB3      ASP  61 160.439  -2.812  -1.253
  369    HA   HYP  62           HA       HYP  62 162.172  -6.279   0.640
  370    HB2  HYP  62           HB2      HYP  62 163.146  -5.327   2.968
  371    HB3  HYP  62           HB3      HYP  62 163.372  -4.464   1.422
  372    HG   HYP  62           HG       HYP  62 161.324  -3.911   3.589
  373   HD22  HYP  62          HD22      HYP  62 159.714  -3.370   2.051
  374   HD23  HYP  62          HD23      HYP  62 160.907  -2.731   0.883
  375    HD1  HYP  62           HD1      HYP  62 161.944  -1.768   3.072
  376    H    GLY  63           H        GLY  63 162.674  -7.869   2.407
  377    HA2  GLY  63           HA2      GLY  63 161.113  -8.363   4.673
  378    HA3  GLY  63           HA3      GLY  63 160.280  -9.198   3.360
  379    HN1  NH2  64           HN1      NH2  64 162.860  -9.950   1.958
  380    HN2  NH2  64           HN2      NH2  64 163.548 -11.211   2.958
  381    H1   ACE  65           H1       ACE  65  78.206  -2.980   8.473
  382    H2   ACE  65           H2       ACE  65  78.487  -3.767   6.909
  383    H3   ACE  65           H3       ACE  65  78.550  -4.723   8.409
  384    HA   PRO  66           HA       PRO  66  82.835  -4.061   8.685
  385    HB2  PRO  66           HB2      PRO  66  84.125  -5.470   6.719
  386    HB3  PRO  66           HB3      PRO  66  83.149  -6.247   8.002
  387    HG2  PRO  66           HG2      PRO  66  82.289  -5.542   5.177
  388    HG3  PRO  66           HG3      PRO  66  82.089  -7.103   6.037
  389    HD2  PRO  66           HD2      PRO  66  80.099  -5.237   5.909
  390    HD3  PRO  66           HD3      PRO  66  80.338  -6.251   7.366
  391    HA   HYP  67           HA       HYP  67  84.732  -0.710   6.256
  392    HB2  HYP  67           HB2      HYP  67  87.246  -2.347   6.467
  393    HB3  HYP  67           HB3      HYP  67  87.008  -0.606   6.784
  394    HG   HYP  67           HG       HYP  67  87.232  -2.418   8.800
  395   HD22  HYP  67          HD22      HYP  67  85.583  -3.968   8.175
  396   HD23  HYP  67          HD23      HYP  67  84.578  -2.896   9.192
  397    HD1  HYP  67           HD1      HYP  67  85.991  -1.017  10.053
  398    H    GLY  68           H        GLY  68  85.670  -0.266   4.183
  399    HA2  GLY  68           HA2      GLY  68  85.668  -2.213   2.039
  400    HA3  GLY  68           HA3      GLY  68  86.476  -0.649   2.040
  401    HA   PRO  69           HA       PRO  69  89.411  -4.325   2.365
  402    HB2  PRO  69           HB2      PRO  69  90.805  -4.117  -0.002
  403    HB3  PRO  69           HB3      PRO  69  89.248  -4.981   0.178
  404    HG2  PRO  69           HG2      PRO  69  89.708  -2.147  -0.782
  405    HG3  PRO  69           HG3      PRO  69  88.695  -3.417  -1.541
  406    HD2  PRO  69           HD2      PRO  69  87.613  -1.497   0.060
  407    HD3  PRO  69           HD3      PRO  69  87.008  -3.181   0.103
  408    HA   HYP  70           HA       HYP  70  92.961  -1.874   3.799
  409    HB2  HYP  70           HB2      HYP  70  94.612  -4.165   2.781
  410    HB3  HYP  70           HB3      HYP  70  94.682  -3.352   4.366
  411    HG   HYP  70           HG       HYP  70  93.504  -5.811   3.989
  412   HD22  HYP  70          HD22      HYP  70  91.878  -5.336   2.394
  413   HD23  HYP  70          HD23      HYP  70  90.937  -4.885   3.846
  414    HD1  HYP  70           HD1      HYP  70  93.535  -4.818   6.022
  415    H    GLY  71           H        GLY  71  94.536  -0.516   2.904
  416    HA2  GLY  71           HA2      GLY  71  94.650  -0.187   0.024
  417    HA3  GLY  71           HA3      GLY  71  95.624   0.672   1.210
  418    HA   PRO  72           HA       PRO  72  98.060  -2.613  -1.151
  419    HB2  PRO  72           HB2      PRO  72  99.670  -0.749  -2.674
  420    HB3  PRO  72           HB3      PRO  72  98.410  -1.930  -3.229
  421    HG2  PRO  72           HG2      PRO  72  98.161   0.947  -3.127
  422    HG3  PRO  72           HG3      PRO  72  96.914  -0.256  -3.618
  423    HD2  PRO  72           HD2      PRO  72  97.194   1.200  -1.049
  424    HD3  PRO  72           HD3      PRO  72  95.789   0.349  -1.743
  425    HA   HYP  73           HA       HYP  73 101.642  -2.224   1.618
  426    HB2  HYP  73           HB2      HYP  73 103.236  -3.373  -0.655
  427    HB3  HYP  73           HB3      HYP  73 103.186  -3.885   1.054
  428    HG   HYP  73           HG       HYP  73 101.905  -5.250  -0.953
  429   HD22  HYP  73          HD22      HYP  73 100.488  -3.619  -1.833
  430   HD23  HYP  73          HD23      HYP  73  99.442  -4.192  -0.499
  431    HD1  HYP  73           HD1      HYP  73 100.476  -5.998   0.650
  432    H    GLY  74           H        GLY  74 103.481  -0.942   1.955
  433    HA2  GLY  74           HA2      GLY  74 103.945   1.322   0.203
  434    HA3  GLY  74           HA3      GLY  74 104.871   0.896   1.639
  435    HA   PRO  75           HA       PRO  75 107.056  -0.186  -2.447
  436    HB2  PRO  75           HB2      PRO  75 108.746   1.942  -2.868
  437    HB3  PRO  75           HB3      PRO  75 107.049   1.891  -3.433
  438    HG2  PRO  75           HG2      PRO  75 108.131   3.161  -0.900
  439    HG3  PRO  75           HG3      PRO  75 107.032   3.888  -2.117
  440    HD2  PRO  75           HD2      PRO  75 106.072   2.772   0.175
  441    HD3  PRO  75           HD3      PRO  75 105.201   2.593  -1.377
  442    HA   HYP  76           HA       HYP  76 110.799  -1.692  -0.339
  443    HB2  HYP  76           HB2      HYP  76 112.195  -1.157  -2.945
  444    HB3  HYP  76           HB3      HYP  76 112.214  -2.635  -1.948
  445    HG   HYP  76           HG       HYP  76 110.749  -2.404  -4.265
  446   HD22  HYP  76          HD22      HYP  76 109.394  -0.573  -3.794
  447   HD23  HYP  76          HD23      HYP  76 108.368  -1.841  -3.063
  448    HD1  HYP  76           HD1      HYP  76 110.679  -4.306  -3.075
  449    H    GLY  77           H        GLY  77 112.621  -0.807   0.678
  450    HA2  GLY  77           HA2      GLY  77 113.214   2.039   0.440
  451    HA3  GLY  77           HA3      GLY  77 114.132   0.852   1.354
  452    HA   PRO  78           HA       PRO  78 116.207   2.032  -2.759
  453    HB2  PRO  78           HB2      PRO  78 118.125   3.844  -1.994
  454    HB3  PRO  78           HB3      PRO  78 116.439   4.296  -2.392
  455    HG2  PRO  78           HG2      PRO  78 117.627   3.764   0.350
  456    HG3  PRO  78           HG3      PRO  78 116.648   5.175  -0.174
  457    HD2  PRO  78           HD2      PRO  78 115.511   3.070   1.122
  458    HD3  PRO  78           HD3      PRO  78 114.658   3.894  -0.218
  459    HA   HYP  79           HA       HYP  79 119.710  -0.751  -2.097
  460    HB2  HYP  79           HB2      HYP  79 121.291   1.097  -3.863
  461    HB3  HYP  79           HB3      HYP  79 121.123  -0.677  -3.960
  462    HG   HYP  79           HG       HYP  79 119.795   1.046  -5.643
  463   HD22  HYP  79          HD22      HYP  79 118.605   2.362  -4.137
  464   HD23  HYP  79          HD23      HYP  79 117.426   1.031  -4.293
  465    HD1  HYP  79           HD1      HYP  79 119.502  -1.190  -5.793
  466    H    GLY  80           H        GLY  80 121.508  -0.889  -0.756
  467    HA2  GLY  80           HA2      GLY  80 122.247   1.349   0.924
  468    HA3  GLY  80           HA3      GLY  80 123.011  -0.238   0.898
  469    HA   PRO  81           HA       PRO  81 125.610   3.088  -1.289
  470    HB2  PRO  81           HB2      PRO  81 127.342   3.970   0.642
  471    HB3  PRO  81           HB3      PRO  81 125.697   4.640   0.422
  472    HG2  PRO  81           HG2      PRO  81 126.590   2.495   2.370
  473    HG3  PRO  81           HG3      PRO  81 125.621   3.965   2.717
  474    HD2  PRO  81           HD2      PRO  81 124.446   1.536   2.300
  475    HD3  PRO  81           HD3      PRO  81 123.695   3.050   1.710
  476    HA   HYP  82           HA       HYP  82 129.096   0.295  -2.034
  477    HB2  HYP  82           HB2      HYP  82 130.835   2.738  -2.020
  478    HB3  HYP  82           HB3      HYP  82 130.755   1.428  -3.226
  479    HG   HYP  82           HG       HYP  82 129.619   3.901  -3.623
  480   HD22  HYP  82          HD22      HYP  82 128.169   4.063  -1.811
  481   HD23  HYP  82          HD23      HYP  82 127.078   3.189  -2.924
  482    HD1  HYP  82           HD1      HYP  82 129.438   2.282  -5.182
  483    H    GLY  83           H        GLY  83 130.643  -0.780  -0.842
  484    HA2  GLY  83           HA2      GLY  83 131.185  -0.088   1.917
  485    HA3  GLY  83           HA3      GLY  83 131.991  -1.339   0.973
  486    HA   PRO  84           HA       PRO  84 134.646   2.577   1.481
  487    HB2  PRO  84           HB2      PRO  84 136.210   2.057   3.669
  488    HB3  PRO  84           HB3      PRO  84 134.564   2.749   3.789
  489    HG2  PRO  84           HG2      PRO  84 135.383  -0.162   4.061
  490    HG3  PRO  84           HG3      PRO  84 134.362   0.805   5.176
  491    HD2  PRO  84           HD2      PRO  84 133.265  -0.819   3.278
  492    HD3  PRO  84           HD3      PRO  84 132.529   0.758   3.690
  493    HA   HYP  85           HA       HYP  85 138.293   0.732  -0.496
  494    HB2  HYP  85           HB2      HYP  85 139.912   2.623   1.178
  495    HB3  HYP  85           HB3      HYP  85 140.005   2.315  -0.577
  496    HG   HYP  85           HG       HYP  85 138.811   4.547   0.473
  497   HD22  HYP  85          HD22      HYP  85 137.206   3.598   1.882
  498   HD23  HYP  85          HD23      HYP  85 136.239   3.623   0.380
  499    HD1  HYP  85           HD1      HYP  85 137.601   4.638  -1.422
  500    H    GLY  86           H        GLY  86 139.772  -0.873  -0.029
  501    HA2  GLY  86           HA2      GLY  86 139.730  -2.165   2.527
  502    HA3  GLY  86           HA3      GLY  86 140.810  -2.547   1.187
  503    HA   PRO  87           HA       PRO  87 143.041  -0.392   4.775
  504    HB2  PRO  87           HB2      PRO  87 144.259  -2.482   6.062
  505    HB3  PRO  87           HB3      PRO  87 142.574  -1.982   6.398
  506    HG2  PRO  87           HG2      PRO  87 143.530  -4.194   4.559
  507    HG3  PRO  87           HG3      PRO  87 142.269  -4.287   5.830
  508    HD2  PRO  87           HD2      PRO  87 141.642  -3.891   3.201
  509    HD3  PRO  87           HD3      PRO  87 140.718  -3.097   4.511
  510    HA   HYP  88           HA       HYP  88 147.076  -0.465   2.703
  511    HB2  HYP  88           HB2      HYP  88 148.252  -0.583   5.463
  512    HB3  HYP  88           HB3      HYP  88 148.675   0.500   4.110
  513    HG   HYP  88           HG       HYP  88 147.173   1.318   6.255
  514   HD22  HYP  88          HD22      HYP  88 145.404  -0.204   6.194
  515   HD23  HYP  88          HD23      HYP  88 144.719   1.007   5.072
  516    HD1  HYP  88           HD1      HYP  88 146.310   2.892   4.891
  517    H    GLY  89           H        GLY  89 148.506  -2.075   2.049
  518    HA2  GLY  89           HA2      GLY  89 148.079  -4.791   2.821
  519    HA3  GLY  89           HA3      GLY  89 149.440  -4.198   1.871
  520    HA   PRO  90           HA       PRO  90 150.657  -5.612   6.152
  521    HB2  PRO  90           HB2      PRO  90 152.239  -7.810   5.139
  522    HB3  PRO  90           HB3      PRO  90 150.892  -7.828   6.324
  523    HG2  PRO  90           HG2      PRO  90 150.750  -8.770   3.641
  524    HG3  PRO  90           HG3      PRO  90 149.373  -8.326   4.671
  525    HD2  PRO  90           HD2      PRO  90 150.584  -6.739   2.469
  526    HD3  PRO  90           HD3      PRO  90 148.909  -6.786   3.075
  527    HA   HYP  91           HA       HYP  91 154.495  -3.325   5.924
  528    HB2  HYP  91           HB2      HYP  91 155.585  -5.123   8.066
  529    HB3  HYP  91           HB3      HYP  91 155.567  -3.343   8.001
  530    HG   HYP  91           HG       HYP  91 153.823  -4.804   9.548
  531   HD22  HYP  91          HD22      HYP  91 152.737  -6.131   7.965
  532   HD23  HYP  91          HD23      HYP  91 151.750  -4.653   7.853
  533    HD1  HYP  91           HD1      HYP  91 153.679  -2.570   9.533
  534    H    GLY  92           H        GLY  92 156.446  -3.385   4.911
  535    HA2  GLY  92           HA2      GLY  92 157.751  -5.961   4.172
  536    HA3  GLY  92           HA3      GLY  92 158.093  -4.383   3.488
  537    HA   PRO  93           HA       PRO  93 160.391  -4.831   7.854
  538    HB2  PRO  93           HB2      PRO  93 161.359  -7.615   7.189
  539    HB3  PRO  93           HB3      PRO  93 161.099  -6.858   8.789
  540    HG2  PRO  93           HG2      PRO  93 159.285  -8.596   7.769
  541    HG3  PRO  93           HG3      PRO  93 158.739  -7.105   8.601
  542    HD2  PRO  93           HD2      PRO  93 158.946  -7.623   5.626
  543    HD3  PRO  93           HD3      PRO  93 157.651  -6.830   6.573
  544    HA   HYP  94           HA       HYP  94 163.518  -3.697   4.821
  545    HB2  HYP  94           HB2      HYP  94 165.179  -2.120   6.311
  546    HB3  HYP  94           HB3      HYP  94 163.537  -1.646   5.791
  547    HG   HYP  94           HG       HYP  94 164.413  -2.747   8.478
  548   HD22  HYP  94          HD22      HYP  94 162.447  -3.931   8.737
  549   HD23  HYP  94          HD23      HYP  94 161.511  -2.809   7.709
  550    HD1  HYP  94           HD1      HYP  94 164.014  -0.498   8.268
  551    H    GLY  95           H        GLY  95 164.222  -5.816   7.404
  552    HA2  GLY  95           HA2      GLY  95 166.724  -6.722   6.031
  553    HA3  GLY  95           HA3      GLY  95 166.658  -6.547   7.787
  554    HN1  NH2  96           HN1      NH2  96 163.767  -7.746   6.117
  555    HN2  NH2  96           HN2      NH2  96 163.958  -9.412   6.631
  Start of MODEL    4
    1    H1   ACE   1           H1       ACE   1  75.134  14.398   5.534
    2    H2   ACE   1           H2       ACE   1  75.686  13.501   6.963
    3    H3   ACE   1           H3       ACE   1  76.876  14.246   5.872
    4    HA   PRO   2           HA       PRO   2  75.413  10.937   2.773
    5    HB2  PRO   2           HB2      PRO   2  77.922  12.033   1.490
    6    HB3  PRO   2           HB3      PRO   2  76.440  11.406   0.704
    7    HG2  PRO   2           HG2      PRO   2  76.841  14.073   0.919
    8    HG3  PRO   2           HG3      PRO   2  75.221  13.385   1.269
    9    HD2  PRO   2           HD2      PRO   2  77.373  14.221   3.227
   10    HD3  PRO   2           HD3      PRO   2  75.608  14.510   3.286
   11    H    LYS   3           H        LYS   3  76.322   8.975   2.358
   12    HA   LYS   3           HA       LYS   3  77.442   7.042   2.593
   13    HB2  LYS   3           HB2      LYS   3  79.848   8.898   2.724
   14    HB3  LYS   3           HB3      LYS   3  79.985   7.165   2.813
   15    HG2  LYS   3           HG2      LYS   3  80.465   7.684   0.635
   16    HG3  LYS   3           HG3      LYS   3  78.876   6.929   0.600
   17    HD2  LYS   3           HD2      LYS   3  77.786   9.036   0.197
   18    HD3  LYS   3           HD3      LYS   3  79.252   9.962   0.562
   19    HE2  LYS   3           HE2      LYS   3  79.048   7.962  -1.737
   20    HE3  LYS   3           HE3      LYS   3  78.634   9.670  -1.910
   21    HZ1  LYS   3           HZ1      LYS   3  81.344   8.659  -1.133
   22    HZ2  LYS   3           HZ2      LYS   3  80.919   9.283  -2.579
   23    HZ3  LYS   3           HZ3      LYS   3  80.915  10.237  -1.258
   24    H    GLY   4           H        GLY   4  78.360   5.500   3.864
   25    HA2  GLY   4           HA2      GLY   4  78.696   5.868   6.774
   26    HA3  GLY   4           HA3      GLY   4  78.958   4.401   5.831
   27    HA   PRO   5           HA       PRO   5  82.924   6.546   7.116
   28    HB2  PRO   5           HB2      PRO   5  84.233   4.367   8.260
   29    HB3  PRO   5           HB3      PRO   5  83.179   5.530   9.112
   30    HG2  PRO   5           HG2      PRO   5  82.494   2.789   8.081
   31    HG3  PRO   5           HG3      PRO   5  81.993   3.562   9.609
   32    HD2  PRO   5           HD2      PRO   5  80.361   3.418   7.409
   33    HD3  PRO   5           HD3      PRO   5  80.308   4.798   8.547
   34    H    LYS   6           H        LYS   6  84.726   6.768   5.963
   35    HA   LYS   6           HA       LYS   6  85.314   5.303   3.543
   36    HB2  LYS   6           HB2      LYS   6  85.847   7.709   3.966
   37    HB3  LYS   6           HB3      LYS   6  86.972   7.232   5.240
   38    HG2  LYS   6           HG2      LYS   6  88.414   6.119   3.588
   39    HG3  LYS   6           HG3      LYS   6  87.267   6.509   2.290
   40    HD2  LYS   6           HD2      LYS   6  87.680   8.875   2.528
   41    HD3  LYS   6           HD3      LYS   6  88.581   8.629   4.042
   42    HE2  LYS   6           HE2      LYS   6  90.312   7.361   2.851
   43    HE3  LYS   6           HE3      LYS   6  89.446   7.553   1.319
   44    HZ1  LYS   6           HZ1      LYS   6  90.426   9.857   2.924
   45    HZ2  LYS   6           HZ2      LYS   6  91.312   9.158   1.747
   46    HZ3  LYS   6           HZ3      LYS   6  89.882   9.896   1.375
   47    H    GLY   7           H        GLY   7  86.961   3.853   3.086
   48    HA2  GLY   7           HA2      GLY   7  87.649   1.896   5.056
   49    HA3  GLY   7           HA3      GLY   7  88.330   2.013   3.436
   50    HA   PRO   8           HA       PRO   8  91.332   3.485   6.852
   51    HB2  PRO   8           HB2      PRO   8  92.733   1.260   7.592
   52    HB3  PRO   8           HB3      PRO   8  91.142   1.686   8.294
   53    HG2  PRO   8           HG2      PRO   8  91.713  -0.225   6.008
   54    HG3  PRO   8           HG3      PRO   8  90.726  -0.531   7.477
   55    HD2  PRO   8           HD2      PRO   8  89.567   0.218   5.131
   56    HD3  PRO   8           HD3      PRO   8  88.970   0.837   6.693
   57    H    LYS   9           H        LYS   9  93.554   3.906   6.670
   58    HA   LYS   9           HA       LYS   9  94.751   3.943   4.073
   59    HB2  LYS   9           HB2      LYS   9  95.182   5.508   6.038
   60    HB3  LYS   9           HB3      LYS   9  96.115   4.204   6.786
   61    HG2  LYS   9           HG2      LYS   9  97.554   4.204   4.678
   62    HG3  LYS   9           HG3      LYS   9  96.678   5.629   4.143
   63    HD2  LYS   9           HD2      LYS   9  98.726   6.380   5.103
   64    HD3  LYS   9           HD3      LYS   9  97.460   6.784   6.278
   65    HE2  LYS   9           HE2      LYS   9  98.039   4.772   7.605
   66    HE3  LYS   9           HE3      LYS   9  99.228   4.285   6.386
   67    HZ1  LYS   9           HZ1      LYS   9 100.563   6.206   6.925
   68    HZ2  LYS   9           HZ2      LYS   9  99.411   6.824   7.931
   69    HZ3  LYS   9           HZ3      LYS   9 100.209   5.455   8.328
   70    H    GLY  10           H        GLY  10  96.350   2.713   3.125
   71    HA2  GLY  10           HA2      GLY  10  96.645  -0.066   3.839
   72    HA3  GLY  10           HA3      GLY  10  97.539   0.794   2.594
   73    HA   PRO  11           HA       PRO  11 100.253  -0.110   6.396
   74    HB2  PRO  11           HB2      PRO  11 101.536  -2.420   5.731
   75    HB3  PRO  11           HB3      PRO  11  99.892  -2.410   6.440
   76    HG2  PRO  11           HG2      PRO  11 100.645  -2.583   3.502
   77    HG3  PRO  11           HG3      PRO  11  99.538  -3.657   4.419
   78    HD2  PRO  11           HD2      PRO  11  98.597  -1.566   2.943
   79    HD3  PRO  11           HD3      PRO  11  97.856  -2.004   4.509
   80    H    LYS  12           H        LYS  12 102.538   0.136   6.561
   81    HA   LYS  12           HA       LYS  12 103.858   1.719   4.614
   82    HB2  LYS  12           HB2      LYS  12 104.345   1.599   7.083
   83    HB3  LYS  12           HB3      LYS  12 105.093   0.016   6.816
   84    HG2  LYS  12           HG2      LYS  12 106.674   1.163   5.191
   85    HG3  LYS  12           HG3      LYS  12 105.971   2.704   5.660
   86    HD2  LYS  12           HD2      LYS  12 108.013   2.448   6.863
   87    HD3  LYS  12           HD3      LYS  12 106.708   2.214   8.041
   88    HE2  LYS  12           HE2      LYS  12 106.968  -0.247   7.842
   89    HE3  LYS  12           HE3      LYS  12 108.197  -0.028   6.582
   90    HZ1  LYS  12           HZ1      LYS  12 108.495   0.950   9.381
   91    HZ2  LYS  12           HZ2      LYS  12 109.155  -0.433   8.814
   92    HZ3  LYS  12           HZ3      LYS  12 109.652   0.999   8.208
   93    H    GLY  13           H        GLY  13 105.336   1.328   3.031
   94    HA2  GLY  13           HA2      GLY  13 105.310  -1.170   1.621
   95    HA3  GLY  13           HA3      GLY  13 106.334   0.217   1.270
   96    HA   PRO  14           HA       PRO  14 108.796  -3.423   3.064
   97    HB2  PRO  14           HB2      PRO  14 109.981  -4.463   0.830
   98    HB3  PRO  14           HB3      PRO  14 108.325  -4.906   1.345
   99    HG2  PRO  14           HG2      PRO  14 109.138  -2.821  -0.704
  100    HG3  PRO  14           HG3      PRO  14 107.935  -4.139  -0.893
  101    HD2  PRO  14           HD2      PRO  14 107.168  -1.614  -0.229
  102    HD3  PRO  14           HD3      PRO  14 106.373  -3.038   0.499
  103    H    LYS  15           H        LYS  15 110.967  -3.395   3.566
  104    HA   LYS  15           HA       LYS  15 112.548  -1.042   3.269
  105    HB2  LYS  15           HB2      LYS  15 112.744  -2.740   5.096
  106    HB3  LYS  15           HB3      LYS  15 113.365  -3.911   3.931
  107    HG2  LYS  15           HG2      LYS  15 115.372  -2.561   3.564
  108    HG3  LYS  15           HG3      LYS  15 114.734  -1.268   4.605
  109    HD2  LYS  15           HD2      LYS  15 114.836  -2.707   6.567
  110    HD3  LYS  15           HD3      LYS  15 115.160  -4.125   5.567
  111    HE2  LYS  15           HE2      LYS  15 117.215  -3.556   6.571
  112    HE3  LYS  15           HE3      LYS  15 117.342  -3.143   4.865
  113    HZ1  LYS  15           HZ1      LYS  15 116.807  -1.195   7.055
  114    HZ2  LYS  15           HZ2      LYS  15 118.263  -1.457   6.351
  115    HZ3  LYS  15           HZ3      LYS  15 117.030  -0.794   5.469
  116    H    GLY  16           H        GLY  16 114.167  -0.445   1.900
  117    HA2  GLY  16           HA2      GLY  16 114.123  -1.415  -0.790
  118    HA3  GLY  16           HA3      GLY  16 115.268  -0.250  -0.131
  119    HA   PRO  17           HA       PRO  17 117.358  -4.431  -0.963
  120    HB2  PRO  17           HB2      PRO  17 118.488  -4.101  -3.423
  121    HB3  PRO  17           HB3      PRO  17 116.791  -4.622  -3.197
  122    HG2  PRO  17           HG2      PRO  17 117.818  -1.823  -3.753
  123    HG3  PRO  17           HG3      PRO  17 116.489  -2.699  -4.581
  124    HD2  PRO  17           HD2      PRO  17 116.028  -0.909  -2.558
  125    HD3  PRO  17           HD3      PRO  17 115.020  -2.372  -2.776
  126    H    LYS  18           H        LYS  18 119.573  -4.859  -0.772
  127    HA   LYS  18           HA       LYS  18 121.163  -2.971   0.627
  128    HB2  LYS  18           HB2      LYS  18 121.196  -5.463   0.810
  129    HB3  LYS  18           HB3      LYS  18 121.952  -5.560  -0.784
  130    HG2  LYS  18           HG2      LYS  18 123.952  -4.424   0.050
  131    HG3  LYS  18           HG3      LYS  18 123.184  -4.156   1.631
  132    HD2  LYS  18           HD2      LYS  18 123.103  -6.550   2.063
  133    HD3  LYS  18           HD3      LYS  18 123.642  -6.913   0.406
  134    HE2  LYS  18           HE2      LYS  18 125.781  -5.773   0.825
  135    HE3  LYS  18           HE3      LYS  18 125.282  -5.386   2.481
  136    HZ1  LYS  18           HZ1      LYS  18 125.497  -8.166   1.443
  137    HZ2  LYS  18           HZ2      LYS  18 126.721  -7.403   2.198
  138    HZ3  LYS  18           HZ3      LYS  18 125.314  -7.719   3.013
  139    H    GLY  19           H        GLY  19 123.063  -1.881   0.168
  140    HA2  GLY  19           HA2      GLY  19 123.331  -0.772  -2.509
  141    HA3  GLY  19           HA3      GLY  19 124.298  -0.370  -1.099
  142    HA   PRO  20           HA       PRO  20 126.801  -3.030  -4.123
  143    HB2  PRO  20           HB2      PRO  20 128.218  -1.188  -5.536
  144    HB3  PRO  20           HB3      PRO  20 126.524  -1.600  -5.943
  145    HG2  PRO  20           HG2      PRO  20 127.512   0.734  -4.266
  146    HG3  PRO  20           HG3      PRO  20 126.383   0.779  -5.659
  147    HD2  PRO  20           HD2      PRO  20 125.480   0.710  -3.081
  148    HD3  PRO  20           HD3      PRO  20 124.629  -0.149  -4.395
  149    H    LYS  21           H        LYS  21 129.071  -3.510  -4.023
  150    HA   LYS  21           HA       LYS  21 130.367  -3.093  -1.536
  151    HB2  LYS  21           HB2      LYS  21 130.725  -4.984  -3.207
  152    HB3  LYS  21           HB3      LYS  21 131.697  -3.860  -4.168
  153    HG2  LYS  21           HG2      LYS  21 133.163  -3.543  -2.112
  154    HG3  LYS  21           HG3      LYS  21 132.221  -4.781  -1.303
  155    HD2  LYS  21           HD2      LYS  21 134.235  -5.787  -2.062
  156    HD3  LYS  21           HD3      LYS  21 132.945  -6.401  -3.112
  157    HE2  LYS  21           HE2      LYS  21 133.581  -4.787  -4.867
  158    HE3  LYS  21           HE3      LYS  21 134.776  -4.044  -3.790
  159    HZ1  LYS  21           HZ1      LYS  21 134.922  -6.884  -4.674
  160    HZ2  LYS  21           HZ2      LYS  21 135.731  -5.666  -5.402
  161    HZ3  LYS  21           HZ3      LYS  21 136.089  -6.050  -3.861
  162    H    GLY  22           H        GLY  22 132.032  -1.814  -0.821
  163    HA2  GLY  22           HA2      GLY  22 132.442   0.803  -1.994
  164    HA3  GLY  22           HA3      GLY  22 133.277   0.133  -0.597
  165    HA   PRO  23           HA       PRO  23 136.143   0.217  -4.382
  166    HB2  PRO  23           HB2      PRO  23 137.502   2.557  -4.097
  167    HB3  PRO  23           HB3      PRO  23 135.879   2.486  -4.849
  168    HG2  PRO  23           HG2      PRO  23 136.561   3.160  -1.967
  169    HG3  PRO  23           HG3      PRO  23 135.526   4.090  -3.100
  170    HD2  PRO  23           HD2      PRO  23 134.471   2.330  -1.295
  171    HD3  PRO  23           HD3      PRO  23 133.771   2.530  -2.928
  172    H    LYS  24           H        LYS  24 138.446  -0.079  -4.397
  173    HA   LYS  24           HA       LYS  24 139.623  -1.421  -2.211
  174    HB2  LYS  24           HB2      LYS  24 140.264  -1.531  -4.664
  175    HB3  LYS  24           HB3      LYS  24 141.046   0.042  -4.471
  176    HG2  LYS  24           HG2      LYS  24 142.433  -1.092  -2.594
  177    HG3  LYS  24           HG3      LYS  24 141.768  -2.612  -3.157
  178    HD2  LYS  24           HD2      LYS  24 143.917  -2.380  -4.141
  179    HD3  LYS  24           HD3      LYS  24 142.754  -2.078  -5.446
  180    HE2  LYS  24           HE2      LYS  24 143.061   0.372  -5.150
  181    HE3  LYS  24           HE3      LYS  24 144.142   0.086  -3.779
  182    HZ1  LYS  24           HZ1      LYS  24 144.694  -0.791  -6.570
  183    HZ2  LYS  24           HZ2      LYS  24 145.374   0.504  -5.841
  184    HZ3  LYS  24           HZ3      LYS  24 145.710  -1.000  -5.293
  185    H    GLY  25           H        GLY  25 141.030  -0.887  -0.598
  186    HA2  GLY  25           HA2      GLY  25 141.147   1.812   0.438
  187    HA3  GLY  25           HA3      GLY  25 142.011   0.406   1.053
  188    HA   PRO  26           HA       PRO  26 144.876   3.409  -1.226
  189    HB2  PRO  26           HB2      PRO  26 145.983   4.882   0.773
  190    HB3  PRO  26           HB3      PRO  26 144.354   5.238   0.120
  191    HG2  PRO  26           HG2      PRO  26 145.050   3.620   2.591
  192    HG3  PRO  26           HG3      PRO  26 143.885   4.977   2.459
  193    HD2  PRO  26           HD2      PRO  26 143.091   2.364   2.305
  194    HD3  PRO  26           HD3      PRO  26 142.310   3.642   1.330
  195    H    LYS  27           H        LYS  27 147.185   3.392  -1.353
  196    HA   LYS  27           HA       LYS  27 148.511   0.968  -0.718
  197    HB2  LYS  27           HB2      LYS  27 149.096   2.544  -2.565
  198    HB3  LYS  27           HB3      LYS  27 149.676   3.713  -1.372
  199    HG2  LYS  27           HG2      LYS  27 151.444   2.159  -0.660
  200    HG3  LYS  27           HG3      LYS  27 150.829   0.912  -1.768
  201    HD2  LYS  27           HD2      LYS  27 151.388   2.265  -3.705
  202    HD3  LYS  27           HD3      LYS  27 151.771   3.667  -2.679
  203    HE2  LYS  27           HE2      LYS  27 153.614   2.398  -1.618
  204    HE3  LYS  27           HE3      LYS  27 153.268   1.004  -2.652
  205    HZ1  LYS  27           HZ1      LYS  27 154.042   3.687  -3.688
  206    HZ2  LYS  27           HZ2      LYS  27 155.095   2.460  -3.464
  207    HZ3  LYS  27           HZ3      LYS  27 153.888   2.317  -4.575
  208    H    GLY  28           H        GLY  28 149.916   0.320   0.859
  209    HA2  GLY  28           HA2      GLY  28 149.540   1.324   3.491
  210    HA3  GLY  28           HA3      GLY  28 150.696   0.085   3.015
  211    HA   PRO  29           HA       PRO  29 152.823   4.199   4.189
  212    HB2  PRO  29           HB2      PRO  29 153.525   3.785   6.809
  213    HB3  PRO  29           HB3      PRO  29 151.942   4.448   6.308
  214    HG2  PRO  29           HG2      PRO  29 152.613   1.574   7.005
  215    HG3  PRO  29           HG3      PRO  29 151.247   2.567   7.603
  216    HD2  PRO  29           HD2      PRO  29 150.948   0.821   5.534
  217    HD3  PRO  29           HD3      PRO  29 150.099   2.393   5.552
  218    H    LYS  30           H        LYS  30 154.953   4.370   3.745
  219    HA   LYS  30           HA       LYS  30 156.557   2.115   3.075
  220    HB2  LYS  30           HB2      LYS  30 156.578   4.374   2.039
  221    HB3  LYS  30           HB3      LYS  30 157.372   5.029   3.476
  222    HG2  LYS  30           HG2      LYS  30 159.368   3.714   3.050
  223    HG3  LYS  30           HG3      LYS  30 158.543   2.782   1.785
  224    HD2  LYS  30           HD2      LYS  30 158.320   4.812   0.401
  225    HD3  LYS  30           HD3      LYS  30 159.136   5.768   1.660
  226    HE2  LYS  30           HE2      LYS  30 161.165   4.380   1.427
  227    HE3  LYS  30           HE3      LYS  30 160.357   3.353   0.238
  228    HZ1  LYS  30           HZ1      LYS  30 160.930   6.251  -0.134
  229    HZ2  LYS  30           HZ2      LYS  30 161.755   5.032  -0.837
  230    HZ3  LYS  30           HZ3      LYS  30 160.194   5.294  -1.238
  231    H    GLY  31           H        GLY  31 156.336   3.761   6.129
  232    HA2  GLY  31           HA2      GLY  31 158.557   2.063   7.240
  233    HA3  GLY  31           HA3      GLY  31 158.303   3.743   7.711
  234    HN1  NH2  32           HN1      NH2  32 155.436   1.723   7.235
  235    HN2  NH2  32           HN2      NH2  32 155.083   1.534   8.944
  236    H1   ACE  33           H1       ACE  33  76.438   6.423  -1.339
  237    H2   ACE  33           H2       ACE  33  77.242   5.075  -0.515
  238    H3   ACE  33           H3       ACE  33  76.309   6.273   0.419
  239    H    ASP  34           H        ASP  34  73.769   3.658   0.092
  240    HA   ASP  34           HA       ASP  34  74.875   4.992   2.169
  241    HB2  ASP  34           HB2      ASP  34  73.219   3.186   2.404
  242    HB3  ASP  34           HB3      ASP  34  74.494   1.990   2.178
  243    HA   HYP  35           HA       HYP  35  78.704   1.987   2.467
  244    HB2  HYP  35           HB2      HYP  35  79.196   1.659  -0.498
  245    HB3  HYP  35           HB3      HYP  35  79.639   0.555   0.832
  246    HG   HYP  35           HG       HYP  35  77.428   0.097  -0.667
  247   HD22  HYP  35          HD22      HYP  35  76.417   2.206  -0.599
  248   HD23  HYP  35          HD23      HYP  35  75.601   1.466   0.806
  249    HD1  HYP  35           HD1      HYP  35  77.765  -1.148   1.183
  250    H    GLY  36           H        GLY  36  80.439   3.104   3.093
  251    HA2  GLY  36           HA2      GLY  36  81.331   5.594   1.982
  252    HA3  GLY  36           HA3      GLY  36  82.165   4.632   3.191
  253    H    ASP  37           H        ASP  37  83.574   6.073   1.411
  254    HA   ASP  37           HA       ASP  37  84.241   4.676  -1.024
  255    HB2  ASP  37           HB2      ASP  37  85.214   7.189   0.384
  256    HB3  ASP  37           HB3      ASP  37  85.921   6.639  -1.123
  257    HA   HYP  38           HA       HYP  38  87.907   2.326  -0.008
  258    HB2  HYP  38           HB2      HYP  38  89.389   3.845  -2.136
  259    HB3  HYP  38           HB3      HYP  38  89.250   2.084  -1.915
  260    HG   HYP  38           HG       HYP  38  87.839   3.456  -3.824
  261   HD22  HYP  38          HD22      HYP  38  86.731   5.034  -2.531
  262   HD23  HYP  38          HD23      HYP  38  85.525   3.723  -2.420
  263    HD1  HYP  38           HD1      HYP  38  87.517   1.250  -3.590
  264    H    GLY  39           H        GLY  39  89.969   2.363   0.985
  265    HA2  GLY  39           HA2      GLY  39  90.829   4.870   2.258
  266    HA3  GLY  39           HA3      GLY  39  91.474   3.262   2.529
  267    H    ASP  40           H        ASP  40  93.086   5.541   2.333
  268    HA   ASP  40           HA       ASP  40  94.226   5.814  -0.313
  269    HB2  ASP  40           HB2      ASP  40  94.802   6.970   2.433
  270    HB3  ASP  40           HB3      ASP  40  95.818   7.311   1.048
  271    HA   HYP  41           HA       HYP  41  97.706   3.003  -0.184
  272    HB2  HYP  41           HB2      HYP  41  99.433   5.329  -0.971
  273    HB3  HYP  41           HB3      HYP  41  99.315   3.716  -1.722
  274    HG   HYP  41           HG       HYP  41  98.159   5.967  -2.800
  275   HD22  HYP  41          HD22      HYP  41  96.767   6.665  -1.079
  276   HD23  HYP  41          HD23      HYP  41  95.645   5.503  -1.840
  277    HD1  HYP  41           HD1      HYP  41  97.930   3.967  -3.811
  278    H    GLY  42           H        GLY  42  99.560   2.424   1.004
  279    HA2  GLY  42           HA2      GLY  42 100.068   3.710   3.549
  280    HA3  GLY  42           HA3      GLY  42 100.895   2.328   2.881
  281    H    ASP  43           H        ASP  43 102.275   4.019   4.388
  282    HA   ASP  43           HA       ASP  43 103.661   6.098   2.948
  283    HB2  ASP  43           HB2      ASP  43 104.009   4.702   5.625
  284    HB3  ASP  43           HB3      ASP  43 105.133   5.926   5.057
  285    HA   HYP  44           HA       HYP  44 106.887   3.800   0.994
  286    HB2  HYP  44           HB2      HYP  44 108.934   5.739   1.987
  287    HB3  HYP  44           HB3      HYP  44 108.560   5.251   0.312
  288    HG   HYP  44           HG       HYP  44 107.796   7.675   1.366
  289   HD22  HYP  44          HD22      HYP  44 106.556   6.945   3.216
  290   HD23  HYP  44          HD23      HYP  44 105.254   7.008   1.996
  291    HD1  HYP  44           HD1      HYP  44 107.240   7.105  -0.752
  292    H    GLY  45           H        GLY  45 108.426   2.228   1.331
  293    HA2  GLY  45           HA2      GLY  45 109.159   1.213   3.903
  294    HA3  GLY  45           HA3      GLY  45 109.897   0.809   2.375
  295    H    ASP  46           H        ASP  46 111.228   0.964   4.833
  296    HA   ASP  46           HA       ASP  46 112.806   3.357   5.054
  297    HB2  ASP  46           HB2      ASP  46 113.020   0.517   6.124
  298    HB3  ASP  46           HB3      ASP  46 114.216   1.751   6.469
  299    HA   HYP  47           HA       HYP  47 115.904   2.672   1.904
  300    HB2  HYP  47           HB2      HYP  47 117.976   3.240   4.000
  301    HB3  HYP  47           HB3      HYP  47 117.796   3.958   2.377
  302    HG   HYP  47           HG       HYP  47 117.066   5.275   4.665
  303   HD22  HYP  47          HD22      HYP  47 115.546   3.766   5.608
  304   HD23  HYP  47          HD23      HYP  47 114.403   4.663   4.569
  305    HD1  HYP  47           HD1      HYP  47 115.727   6.487   3.373
  306    H    GLY  48           H        GLY  48 117.377   1.146   1.136
  307    HA2  GLY  48           HA2      GLY  48 117.744  -1.372   2.503
  308    HA3  GLY  48           HA3      GLY  48 118.602  -0.827   1.064
  309    H    ASP  49           H        ASP  49 119.861  -2.336   3.046
  310    HA   ASP  49           HA       ASP  49 121.319  -0.632   4.876
  311    HB2  ASP  49           HB2      ASP  49 121.518  -3.553   4.046
  312    HB3  ASP  49           HB3      ASP  49 122.503  -2.815   5.291
  313    HA   HYP  50           HA       HYP  50 124.833   0.479   2.383
  314    HB2  HYP  50           HB2      HYP  50 126.588  -0.547   4.592
  315    HB3  HYP  50           HB3      HYP  50 126.636   1.030   3.757
  316    HG   HYP  50           HG       HYP  50 125.578   0.702   6.276
  317   HD22  HYP  50          HD22      HYP  50 123.917  -0.886   5.899
  318   HD23  HYP  50          HD23      HYP  50 122.963   0.566   5.487
  319    HD1  HYP  50           HD1      HYP  50 125.585   2.713   5.218
  320    H    GLY  51           H        GLY  51 126.334  -0.408   0.968
  321    HA2  GLY  51           HA2      GLY  51 126.506  -3.265   0.553
  322    HA3  GLY  51           HA3      GLY  51 127.504  -2.037  -0.205
  323    H    ASP  52           H        ASP  52 128.686  -4.419   0.408
  324    HA   ASP  52           HA       ASP  52 129.910  -4.470   2.985
  325    HB2  ASP  52           HB2      ASP  52 130.303  -5.933   0.381
  326    HB3  ASP  52           HB3      ASP  52 131.484  -6.103   1.668
  327    HA   HYP  53           HA       HYP  53 133.441  -1.771   2.621
  328    HB2  HYP  53           HB2      HYP  53 135.052  -4.002   3.814
  329    HB3  HYP  53           HB3      HYP  53 134.942  -2.296   4.324
  330    HG   HYP  53           HG       HYP  53 133.671  -4.317   5.666
  331   HD22  HYP  53          HD22      HYP  53 132.406  -5.262   3.937
  332   HD23  HYP  53          HD23      HYP  53 131.235  -4.036   4.500
  333    HD1  HYP  53           HD1      HYP  53 132.127  -2.761   6.307
  334    H    GLY  54           H        GLY  54 135.130  -1.366   1.238
  335    HA2  GLY  54           HA2      GLY  54 135.690  -3.058  -1.009
  336    HA3  GLY  54           HA3      GLY  54 136.548  -1.602  -0.555
  337    H    ASP  55           H        ASP  55 137.852  -3.623  -1.758
  338    HA   ASP  55           HA       ASP  55 139.084  -5.528  -0.041
  339    HB2  ASP  55           HB2      ASP  55 139.661  -4.422  -2.803
  340    HB3  ASP  55           HB3      ASP  55 140.725  -5.598  -2.045
  341    HA   HYP  56           HA       HYP  56 142.362  -3.237   1.971
  342    HB2  HYP  56           HB2      HYP  56 144.174  -5.515   1.223
  343    HB3  HYP  56           HB3      HYP  56 143.922  -4.762   2.820
  344    HG   HYP  56           HG       HYP  56 142.828  -7.185   2.137
  345   HD22  HYP  56          HD22      HYP  56 141.634  -6.619   0.213
  346   HD23  HYP  56          HD23      HYP  56 140.372  -6.264   1.427
  347    HD1  HYP  56           HD1      HYP  56 142.364  -6.329   4.145
  348    H    GLY  57           H        GLY  57 144.085  -1.877   1.504
  349    HA2  GLY  57           HA2      GLY  57 144.853  -1.281  -1.199
  350    HA3  GLY  57           HA3      GLY  57 145.611  -0.687   0.263
  351    H    ASP  58           H        ASP  58 147.078  -1.161  -2.005
  352    HA   ASP  58           HA       ASP  58 148.487  -3.673  -1.923
  353    HB2  ASP  58           HB2      ASP  58 149.031  -0.952  -3.181
  354    HB3  ASP  58           HB3      ASP  58 150.049  -2.363  -3.412
  355    HA   HYP  59           HA       HYP  59 151.297  -2.895   1.447
  356    HB2  HYP  59           HB2      HYP  59 153.556  -3.864  -0.255
  357    HB3  HYP  59           HB3      HYP  59 153.038  -4.424   1.356
  358    HG   HYP  59           HG       HYP  59 152.552  -5.795  -0.998
  359   HD22  HYP  59          HD22      HYP  59 151.169  -4.358  -2.173
  360   HD23  HYP  59          HD23      HYP  59 149.898  -5.030  -1.114
  361    HD1  HYP  59           HD1      HYP  59 150.942  -6.858   0.156
  362    H    GLY  60           H        GLY  60 152.926  -1.526   2.239
  363    HA2  GLY  60           HA2      GLY  60 153.760   0.782   0.649
  364    HA3  GLY  60           HA3      GLY  60 154.326   0.366   2.264
  365    H    ASP  61           H        ASP  61 156.006   1.365   0.261
  366    HA   ASP  61           HA       ASP  61 157.663  -0.745  -0.884
  367    HB2  ASP  61           HB2      ASP  61 157.870   2.269  -0.526
  368    HB3  ASP  61           HB3      ASP  61 159.216   1.328  -1.130
  369    HA   HYP  62           HA       HYP  62 160.377  -1.731   2.481
  370    HB2  HYP  62           HB2      HYP  62 162.692  -0.721   0.829
  371    HB3  HYP  62           HB3      HYP  62 162.553  -2.235   1.762
  372    HG   HYP  62           HG       HYP  62 162.224  -2.195  -0.943
  373   HD22  HYP  62          HD22      HYP  62 160.625  -0.502  -1.170
  374   HD23  HYP  62          HD23      HYP  62 159.515  -1.892  -1.007
  375    HD1  HYP  62           HD1      HYP  62 161.787  -4.057   0.409
  376    H    GLY  63           H        GLY  63 161.100  -0.814   4.327
  377    HA2  GLY  63           HA2      GLY  63 162.727   1.285   4.889
  378    HA3  GLY  63           HA3      GLY  63 161.201   2.119   4.582
  379    HN1  NH2  64           HN1      NH2  64 160.282  -0.817   5.985
  380    HN2  NH2  64           HN2      NH2  64 160.252  -0.281   7.652
  381    H1   ACE  65           H1       ACE  65  84.445  -3.479  10.329
  382    H2   ACE  65           H2       ACE  65  85.955  -2.934   9.566
  383    H3   ACE  65           H3       ACE  65  85.244  -2.000  10.906
  384    HA   PRO  66           HA       PRO  66  83.342   0.650   7.921
  385    HB2  PRO  66           HB2      PRO  66  85.825   0.766   6.193
  386    HB3  PRO  66           HB3      PRO  66  84.805   2.117   6.776
  387    HG2  PRO  66           HG2      PRO  66  87.146   1.580   8.005
  388    HG3  PRO  66           HG3      PRO  66  85.686   1.931   8.987
  389    HD2  PRO  66           HD2      PRO  66  86.889  -0.767   8.313
  390    HD3  PRO  66           HD3      PRO  66  86.285  -0.158   9.884
  391    HA   HYP  67           HA       HYP  67  81.985  -1.780   4.355
  392    HB2  HYP  67           HB2      HYP  67  80.602   0.043   2.893
  393    HB3  HYP  67           HB3      HYP  67  80.030  -0.515   4.495
  394    HG   HYP  67           HG       HYP  67  81.696   1.963   3.879
  395   HD22  HYP  67          HD22      HYP  67  82.522   1.906   6.051
  396   HD23  HYP  67          HD23      HYP  67  81.201   0.859   6.650
  397    HD1  HYP  67           HD1      HYP  67  79.282   1.540   5.362
  398    H    GLY  68           H        GLY  68  83.851   1.232   3.828
  399    HA2  GLY  68           HA2      GLY  68  84.475   0.656   1.042
  400    HA3  GLY  68           HA3      GLY  68  85.187   1.916   2.043
  401    HA   PRO  69           HA       PRO  69  87.728  -2.164   1.913
  402    HB2  PRO  69           HB2      PRO  69  89.257  -2.114  -0.375
  403    HB3  PRO  69           HB3      PRO  69  87.612  -2.812  -0.281
  404    HG2  PRO  69           HG2      PRO  69  88.404  -0.034  -1.199
  405    HG3  PRO  69           HG3      PRO  69  87.329  -1.205  -2.030
  406    HD2  PRO  69           HD2      PRO  69  86.311   0.791  -0.491
  407    HD3  PRO  69           HD3      PRO  69  85.580  -0.841  -0.475
  408    HA   HYP  70           HA       HYP  70  91.438  -0.025   3.485
  409    HB2  HYP  70           HB2      HYP  70  92.893  -2.489   2.582
  410    HB3  HYP  70           HB3      HYP  70  92.969  -1.660   4.159
  411    HG   HYP  70           HG       HYP  70  91.586  -3.997   3.761
  412   HD22  HYP  70          HD22      HYP  70  90.093  -3.396   2.073
  413   HD23  HYP  70          HD23      HYP  70  89.124  -2.844   3.471
  414    HD1  HYP  70           HD1      HYP  70  90.311  -3.396   5.526
  415    H    GLY  71           H        GLY  71  93.241   1.087   2.659
  416    HA2  GLY  71           HA2      GLY  71  93.610   1.246  -0.238
  417    HA3  GLY  71           HA3      GLY  71  94.554   2.074   0.988
  418    HA   PRO  72           HA       PRO  72  96.812  -1.718  -0.781
  419    HB2  PRO  72           HB2      PRO  72  98.402  -0.687  -2.747
  420    HB3  PRO  72           HB3      PRO  72  96.686  -1.123  -3.014
  421    HG2  PRO  72           HG2      PRO  72  97.832   1.607  -2.353
  422    HG3  PRO  72           HG3      PRO  72  96.716   1.180  -3.692
  423    HD2  PRO  72           HD2      PRO  72  95.793   2.197  -1.339
  424    HD3  PRO  72           HD3      PRO  72  94.892   0.924  -2.214
  425    HA   HYP  73           HA       HYP  73 100.616  -1.034   1.567
  426    HB2  HYP  73           HB2      HYP  73 102.068  -2.329  -0.716
  427    HB3  HYP  73           HB3      HYP  73 102.177  -2.684   1.029
  428    HG   HYP  73           HG       HYP  73 100.784  -4.268  -0.724
  429   HD22  HYP  73          HD22      HYP  73  99.257  -2.745  -1.643
  430   HD23  HYP  73          HD23      HYP  73  98.315  -3.217  -0.206
  431    HD1  HYP  73           HD1      HYP  73  99.511  -4.887   1.056
  432    H    GLY  74           H        GLY  74 102.335   0.406   1.682
  433    HA2  GLY  74           HA2      GLY  74 102.493   2.545  -0.236
  434    HA3  GLY  74           HA3      GLY  74 103.562   2.302   1.142
  435    HA   PRO  75           HA       PRO  75 105.720   1.415  -2.952
  436    HB2  PRO  75           HB2      PRO  75 107.405   3.747  -2.717
  437    HB3  PRO  75           HB3      PRO  75 106.271   3.305  -4.021
  438    HG2  PRO  75           HG2      PRO  75 105.912   5.385  -2.112
  439    HG3  PRO  75           HG3      PRO  75 104.667   4.678  -3.164
  440    HD2  PRO  75           HD2      PRO  75 105.131   4.170  -0.279
  441    HD3  PRO  75           HD3      PRO  75 103.639   4.055  -1.245
  442    HA   HYP  76           HA       HYP  76 109.283  -0.422  -0.825
  443    HB2  HYP  76           HB2      HYP  76 110.766   0.123  -3.378
  444    HB3  HYP  76           HB3      HYP  76 110.672  -1.390  -2.440
  445    HG   HYP  76           HG       HYP  76 109.267  -0.980  -4.768
  446   HD22  HYP  76          HD22      HYP  76 108.019   0.918  -4.257
  447   HD23  HYP  76          HD23      HYP  76 106.915  -0.321  -3.583
  448    HD1  HYP  76           HD1      HYP  76 109.050  -2.911  -3.627
  449    H    GLY  77           H        GLY  77 111.200   0.222   0.204
  450    HA2  GLY  77           HA2      GLY  77 111.959   3.037   0.216
  451    HA3  GLY  77           HA3      GLY  77 112.798   1.721   1.028
  452    HA   PRO  78           HA       PRO  78 114.980   3.096  -2.972
  453    HB2  PRO  78           HB2      PRO  78 116.945   4.791  -2.074
  454    HB3  PRO  78           HB3      PRO  78 115.282   5.327  -2.458
  455    HG2  PRO  78           HG2      PRO  78 116.419   4.585   0.257
  456    HG3  PRO  78           HG3      PRO  78 115.498   6.060  -0.188
  457    HD2  PRO  78           HD2      PRO  78 114.274   3.918   0.962
  458    HD3  PRO  78           HD3      PRO  78 113.465   4.862  -0.322
  459    HA   HYP  79           HA       HYP  79 118.395   0.170  -2.446
  460    HB2  HYP  79           HB2      HYP  79 120.046   2.116  -4.027
  461    HB3  HYP  79           HB3      HYP  79 119.860   0.358  -4.258
  462    HG   HYP  79           HG       HYP  79 118.592   2.215  -5.841
  463   HD22  HYP  79          HD22      HYP  79 117.386   3.443  -4.271
  464   HD23  HYP  79          HD23      HYP  79 116.190   2.143  -4.543
  465    HD1  HYP  79           HD1      HYP  79 118.289  -0.018  -6.124
  466    H    GLY  80           H        GLY  80 120.131  -0.115  -1.063
  467    HA2  GLY  80           HA2      GLY  80 120.707   1.877   0.893
  468    HA3  GLY  80           HA3      GLY  80 121.570   0.353   0.696
  469    HA   PRO  81           HA       PRO  81 124.165   4.059  -0.714
  470    HB2  PRO  81           HB2      PRO  81 125.762   4.100   1.696
  471    HB3  PRO  81           HB3      PRO  81 124.795   5.410   0.967
  472    HG2  PRO  81           HG2      PRO  81 124.174   3.996   3.355
  473    HG3  PRO  81           HG3      PRO  81 123.068   5.006   2.399
  474    HD2  PRO  81           HD2      PRO  81 123.242   2.040   2.472
  475    HD3  PRO  81           HD3      PRO  81 121.858   3.113   2.129
  476    HA   HYP  82           HA       HYP  82 127.603   1.359  -1.932
  477    HB2  HYP  82           HB2      HYP  82 129.307   3.805  -1.581
  478    HB3  HYP  82           HB3      HYP  82 129.237   2.675  -2.960
  479    HG   HYP  82           HG       HYP  82 128.062   5.159  -3.012
  480   HD22  HYP  82          HD22      HYP  82 126.637   5.045  -1.170
  481   HD23  HYP  82          HD23      HYP  82 125.548   4.338  -2.401
  482    HD1  HYP  82           HD1      HYP  82 127.860   3.799  -4.783
  483    H    GLY  83           H        GLY  83 129.105   0.125  -0.840
  484    HA2  GLY  83           HA2      GLY  83 129.316   0.307   1.991
  485    HA3  GLY  83           HA3      GLY  83 130.312  -0.718   0.957
  486    HA   PRO  84           HA       PRO  84 132.723   2.921   2.774
  487    HB2  PRO  84           HB2      PRO  84 134.124   1.209   4.647
  488    HB3  PRO  84           HB3      PRO  84 133.200   2.702   4.964
  489    HG2  PRO  84           HG2      PRO  84 132.383   0.083   5.649
  490    HG3  PRO  84           HG3      PRO  84 131.317   1.493   5.464
  491    HD2  PRO  84           HD2      PRO  84 131.730  -0.742   3.544
  492    HD3  PRO  84           HD3      PRO  84 130.292   0.262   3.861
  493    HA   HYP  85           HA       HYP  85 136.354   1.844   0.275
  494    HB2  HYP  85           HB2      HYP  85 137.857   3.556   2.231
  495    HB3  HYP  85           HB3      HYP  85 137.892   3.596   0.448
  496    HG   HYP  85           HG       HYP  85 136.537   5.450   1.941
  497   HD22  HYP  85          HD22      HYP  85 135.105   4.085   3.191
  498   HD23  HYP  85          HD23      HYP  85 134.081   4.307   1.738
  499    HD1  HYP  85           HD1      HYP  85 135.195   5.738   0.140
  500    H    GLY  86           H        GLY  86 138.063   0.365   0.422
  501    HA2  GLY  86           HA2      GLY  86 138.228  -1.370   2.692
  502    HA3  GLY  86           HA3      GLY  86 139.351  -1.343   1.336
  503    HA   PRO  87           HA       PRO  87 141.307   0.380   5.302
  504    HB2  PRO  87           HB2      PRO  87 142.851  -1.736   6.133
  505    HB3  PRO  87           HB3      PRO  87 141.140  -1.516   6.606
  506    HG2  PRO  87           HG2      PRO  87 142.251  -3.235   4.369
  507    HG3  PRO  87           HG3      PRO  87 141.057  -3.692   5.626
  508    HD2  PRO  87           HD2      PRO  87 140.291  -2.917   3.123
  509    HD3  PRO  87           HD3      PRO  87 139.338  -2.472   4.571
  510    HA   HYP  88           HA       HYP  88 145.193   1.318   3.165
  511    HB2  HYP  88           HB2      HYP  88 146.503   0.987   5.846
  512    HB3  HYP  88           HB3      HYP  88 146.669   2.322   4.675
  513    HG   HYP  88           HG       HYP  88 145.144   2.518   6.955
  514   HD22  HYP  88          HD22      HYP  88 143.656   0.747   6.682
  515   HD23  HYP  88          HD23      HYP  88 142.739   1.983   5.773
  516    HD1  HYP  88           HD1      HYP  88 145.258   4.242   5.516
  517    H    GLY  89           H        GLY  89 146.909   0.139   2.278
  518    HA2  GLY  89           HA2      GLY  89 146.963  -2.703   2.572
  519    HA3  GLY  89           HA3      GLY  89 148.184  -1.736   1.745
  520    HA   PRO  90           HA       PRO  90 149.711  -3.639   5.755
  521    HB2  PRO  90           HB2      PRO  90 151.621  -5.238   4.217
  522    HB3  PRO  90           HB3      PRO  90 150.526  -5.736   5.536
  523    HG2  PRO  90           HG2      PRO  90 150.118  -6.347   2.842
  524    HG3  PRO  90           HG3      PRO  90 148.819  -6.177   4.039
  525    HD2  PRO  90           HD2      PRO  90 149.616  -4.229   1.932
  526    HD3  PRO  90           HD3      PRO  90 148.019  -4.579   2.639
  527    HA   HYP  91           HA       HYP  91 153.007  -0.570   5.832
  528    HB2  HYP  91           HB2      HYP  91 154.265  -2.278   7.955
  529    HB3  HYP  91           HB3      HYP  91 153.938  -0.524   7.970
  530    HG   HYP  91           HG       HYP  91 152.392  -2.337   9.329
  531   HD22  HYP  91          HD22      HYP  91 151.667  -3.749   7.616
  532   HD23  HYP  91          HD23      HYP  91 150.417  -2.474   7.482
  533    HD1  HYP  91           HD1      HYP  91 150.689  -0.823   9.109
  534    H    GLY  92           H        GLY  92 155.073  -0.249   5.050
  535    HA2  GLY  92           HA2      GLY  92 156.182  -2.159   3.296
  536    HA3  GLY  92           HA3      GLY  92 156.959  -0.671   3.844
  537    HA   PRO  93           HA       PRO  93 158.605  -4.631   6.041
  538    HB2  PRO  93           HB2      PRO  93 160.390  -5.844   4.334
  539    HB3  PRO  93           HB3      PRO  93 158.635  -6.195   4.345
  540    HG2  PRO  93           HG2      PRO  93 160.135  -4.269   2.547
  541    HG3  PRO  93           HG3      PRO  93 158.967  -5.544   2.063
  542    HD2  PRO  93           HD2      PRO  93 158.206  -2.949   2.350
  543    HD3  PRO  93           HD3      PRO  93 157.132  -4.285   2.867
  544    HA   HYP  94           HA       HYP  94 162.197  -2.483   7.500
  545    HB2  HYP  94           HB2      HYP  94 163.579  -5.168   7.616
  546    HB3  HYP  94           HB3      HYP  94 163.548  -3.873   8.848
  547    HG   HYP  94           HG       HYP  94 161.924  -6.038   9.061
  548   HD22  HYP  94          HD22      HYP  94 160.958  -6.087   6.924
  549   HD23  HYP  94          HD23      HYP  94 159.753  -5.066   7.757
  550    HD1  HYP  94           HD1      HYP  94 161.687  -4.243  10.451
  551    H    GLY  95           H        GLY  95 162.750  -4.589   4.713
  552    HA2  GLY  95           HA2      GLY  95 164.583  -2.704   3.485
  553    HA3  GLY  95           HA3      GLY  95 165.405  -4.164   4.037
  554    HN1  NH2  96           HN1      NH2  96 165.672  -3.830   1.449
  555    HN2  NH2  96           HN2      NH2  96 164.573  -4.829   0.519
  Start of MODEL    5
    1    H1   ACE   1           H1       ACE   1  72.297   3.281   0.200
    2    H2   ACE   1           H2       ACE   1  71.529   4.823  -0.222
    3    H3   ACE   1           H3       ACE   1  71.395   4.189   1.437
    4    HA   PRO   2           HA       PRO   2  75.177   6.978   0.875
    5    HB2  PRO   2           HB2      PRO   2  74.390   9.370   1.892
    6    HB3  PRO   2           HB3      PRO   2  73.847   8.804   0.292
    7    HG2  PRO   2           HG2      PRO   2  72.358   8.542   2.930
    8    HG3  PRO   2           HG3      PRO   2  71.760   9.248   1.391
    9    HD2  PRO   2           HD2      PRO   2  71.295   6.639   2.088
   10    HD3  PRO   2           HD3      PRO   2  71.551   7.138   0.389
   11    H    LYS   3           H        LYS   3  74.720   4.978   2.883
   12    HA   LYS   3           HA       LYS   3  74.911   5.911   5.586
   13    HB2  LYS   3           HB2      LYS   3  75.778   3.243   4.390
   14    HB3  LYS   3           HB3      LYS   3  75.560   3.584   6.111
   15    HG2  LYS   3           HG2      LYS   3  73.135   4.108   5.668
   16    HG3  LYS   3           HG3      LYS   3  73.381   3.653   3.979
   17    HD2  LYS   3           HD2      LYS   3  72.438   1.751   4.982
   18    HD3  LYS   3           HD3      LYS   3  74.155   1.363   4.803
   19    HE2  LYS   3           HE2      LYS   3  74.518   1.954   7.209
   20    HE3  LYS   3           HE3      LYS   3  72.808   2.382   7.354
   21    HZ1  LYS   3           HZ1      LYS   3  73.844  -0.340   6.742
   22    HZ2  LYS   3           HZ2      LYS   3  73.192   0.138   8.159
   23    HZ3  LYS   3           HZ3      LYS   3  72.257   0.054   6.826
   24    H    GLY   4           H        GLY   4  77.290   6.006   3.248
   25    HA2  GLY   4           HA2      GLY   4  79.645   6.836   3.362
   26    HA3  GLY   4           HA3      GLY   4  79.134   7.231   4.965
   27    HA   PRO   5           HA       PRO   5  81.558   3.307   5.939
   28    HB2  PRO   5           HB2      PRO   5  81.284   0.929   4.689
   29    HB3  PRO   5           HB3      PRO   5  80.013   1.575   5.764
   30    HG2  PRO   5           HG2      PRO   5  80.125   1.791   2.733
   31    HG3  PRO   5           HG3      PRO   5  78.771   1.200   3.749
   32    HD2  PRO   5           HD2      PRO   5  78.939   3.776   2.860
   33    HD3  PRO   5           HD3      PRO   5  78.230   3.357   4.449
   34    H    LYS   6           H        LYS   6  82.990   4.999   4.843
   35    HA   LYS   6           HA       LYS   6  84.295   4.623   2.348
   36    HB2  LYS   6           HB2      LYS   6  84.467   6.720   3.700
   37    HB3  LYS   6           HB3      LYS   6  85.292   5.840   4.982
   38    HG2  LYS   6           HG2      LYS   6  87.248   5.491   3.653
   39    HG3  LYS   6           HG3      LYS   6  86.458   6.067   2.181
   40    HD2  LYS   6           HD2      LYS   6  86.290   8.327   3.117
   41    HD3  LYS   6           HD3      LYS   6  86.995   7.791   4.647
   42    HE2  LYS   6           HE2      LYS   6  88.410   7.629   1.939
   43    HE3  LYS   6           HE3      LYS   6  88.574   8.985   3.058
   44    HZ1  LYS   6           HZ1      LYS   6  89.366   6.185   3.673
   45    HZ2  LYS   6           HZ2      LYS   6  90.387   7.437   3.356
   46    HZ3  LYS   6           HZ3      LYS   6  89.478   7.449   4.716
   47    H    GLY   7           H        GLY   7  86.086   3.563   1.634
   48    HA2  GLY   7           HA2      GLY   7  86.785   1.071   2.885
   49    HA3  GLY   7           HA3      GLY   7  87.523   1.754   1.443
   50    HA   PRO   8           HA       PRO   8  90.249   2.296   5.340
   51    HB2  PRO   8           HB2      PRO   8  91.671  -0.030   5.612
   52    HB3  PRO   8           HB3      PRO   8  90.039   0.212   6.304
   53    HG2  PRO   8           HG2      PRO   8  90.760  -1.109   3.668
   54    HG3  PRO   8           HG3      PRO   8  89.707  -1.754   4.972
   55    HD2  PRO   8           HD2      PRO   8  88.632  -0.496   2.825
   56    HD3  PRO   8           HD3      PRO   8  87.978  -0.225   4.461
   57    H    LYS   9           H        LYS   9  92.430   2.767   5.460
   58    HA   LYS   9           HA       LYS   9  93.919   3.374   3.072
   59    HB2  LYS   9           HB2      LYS   9  94.051   4.669   5.208
   60    HB3  LYS   9           HB3      LYS   9  94.670   3.244   6.038
   61    HG2  LYS   9           HG2      LYS   9  96.741   3.306   4.825
   62    HG3  LYS   9           HG3      LYS   9  96.140   4.560   3.721
   63    HD2  LYS   9           HD2      LYS   9  96.054   6.199   5.472
   64    HD3  LYS   9           HD3      LYS   9  96.346   5.001   6.737
   65    HE2  LYS   9           HE2      LYS   9  98.359   5.558   4.515
   66    HE3  LYS   9           HE3      LYS   9  98.315   6.506   6.005
   67    HZ1  LYS   9           HZ1      LYS   9  98.719   3.559   5.929
   68    HZ2  LYS   9           HZ2      LYS   9  99.893   4.677   6.193
   69    HZ3  LYS   9           HZ3      LYS   9  98.691   4.488   7.280
   70    H    GLY  10           H        GLY  10  95.663   2.437   2.112
   71    HA2  GLY  10           HA2      GLY  10  95.897  -0.437   2.308
   72    HA3  GLY  10           HA3      GLY  10  96.818   0.621   1.250
   73    HA   PRO  11           HA       PRO  11  99.445  -0.997   4.878
   74    HB2  PRO  11           HB2      PRO  11 100.745  -3.142   3.797
   75    HB3  PRO  11           HB3      PRO  11  99.092  -3.262   4.475
   76    HG2  PRO  11           HG2      PRO  11  99.877  -2.837   1.570
   77    HG3  PRO  11           HG3      PRO  11  98.782  -4.095   2.236
   78    HD2  PRO  11           HD2      PRO  11  97.780  -1.792   1.218
   79    HD3  PRO  11           HD3      PRO  11  97.091  -2.499   2.704
   80    H    LYS  12           H        LYS  12 101.723  -0.885   5.135
   81    HA   LYS  12           HA       LYS  12 103.170   0.969   3.505
   82    HB2  LYS  12           HB2      LYS  12 103.532   0.599   5.951
   83    HB3  LYS  12           HB3      LYS  12 104.106  -1.036   5.618
   84    HG2  LYS  12           HG2      LYS  12 106.059  -0.184   4.444
   85    HG3  LYS  12           HG3      LYS  12 105.471   1.481   4.563
   86    HD2  LYS  12           HD2      LYS  12 105.632   1.365   7.034
   87    HD3  LYS  12           HD3      LYS  12 106.158  -0.331   6.922
   88    HE2  LYS  12           HE2      LYS  12 108.124   0.404   5.556
   89    HE3  LYS  12           HE3      LYS  12 107.626   2.089   5.770
   90    HZ1  LYS  12           HZ1      LYS  12 107.947   1.820   8.167
   91    HZ2  LYS  12           HZ2      LYS  12 108.344   0.237   7.990
   92    HZ3  LYS  12           HZ3      LYS  12 109.327   1.390   7.379
   93    H    GLY  13           H        GLY  13 104.739   0.739   1.980
   94    HA2  GLY  13           HA2      GLY  13 104.770  -1.642   0.346
   95    HA3  GLY  13           HA3      GLY  13 105.751  -0.199   0.120
   96    HA   PRO  14           HA       PRO  14 108.174  -3.909   1.835
   97    HB2  PRO  14           HB2      PRO  14 109.413  -4.937  -0.378
   98    HB3  PRO  14           HB3      PRO  14 107.737  -5.355   0.090
   99    HG2  PRO  14           HG2      PRO  14 108.639  -3.260  -1.907
  100    HG3  PRO  14           HG3      PRO  14 107.418  -4.553  -2.146
  101    HD2  PRO  14           HD2      PRO  14 106.670  -2.028  -1.471
  102    HD3  PRO  14           HD3      PRO  14 105.842  -3.448  -0.774
  103    H    LYS  15           H        LYS  15 110.332  -4.014   2.368
  104    HA   LYS  15           HA       LYS  15 111.996  -1.696   2.278
  105    HB2  LYS  15           HB2      LYS  15 112.027  -3.503   4.006
  106    HB3  LYS  15           HB3      LYS  15 112.701  -4.619   2.812
  107    HG2  LYS  15           HG2      LYS  15 114.723  -3.201   2.621
  108    HG3  LYS  15           HG3      LYS  15 114.038  -2.052   3.789
  109    HD2  LYS  15           HD2      LYS  15 114.063  -3.777   5.543
  110    HD3  LYS  15           HD3      LYS  15 114.589  -5.002   4.365
  111    HE2  LYS  15           HE2      LYS  15 116.650  -3.654   3.927
  112    HE3  LYS  15           HE3      LYS  15 116.161  -2.513   5.188
  113    HZ1  LYS  15           HZ1      LYS  15 116.636  -5.412   5.673
  114    HZ2  LYS  15           HZ2      LYS  15 117.763  -4.257   5.913
  115    HZ3  LYS  15           HZ3      LYS  15 116.384  -4.267   6.820
  116    H    GLY  16           H        GLY  16 113.678  -1.074   1.002
  117    HA2  GLY  16           HA2      GLY  16 113.802  -2.017  -1.714
  118    HA3  GLY  16           HA3      GLY  16 114.858  -0.816  -0.982
  119    HA   PRO  17           HA       PRO  17 117.115  -4.960  -1.644
  120    HB2  PRO  17           HB2      PRO  17 118.348  -4.643  -4.060
  121    HB3  PRO  17           HB3      PRO  17 116.660  -5.217  -3.901
  122    HG2  PRO  17           HG2      PRO  17 117.621  -2.398  -4.473
  123    HG3  PRO  17           HG3      PRO  17 116.360  -3.333  -5.339
  124    HD2  PRO  17           HD2      PRO  17 115.749  -1.517  -3.383
  125    HD3  PRO  17           HD3      PRO  17 114.803  -3.020  -3.607
  126    H    LYS  18           H        LYS  18 119.338  -5.318  -1.318
  127    HA   LYS  18           HA       LYS  18 120.862  -3.308  -0.027
  128    HB2  LYS  18           HB2      LYS  18 121.036  -5.810   0.257
  129    HB3  LYS  18           HB3      LYS  18 121.845  -5.886  -1.313
  130    HG2  LYS  18           HG2      LYS  18 123.595  -4.287  -0.325
  131    HG3  LYS  18           HG3      LYS  18 122.806  -4.493   1.230
  132    HD2  LYS  18           HD2      LYS  18 124.732  -5.922   1.128
  133    HD3  LYS  18           HD3      LYS  18 123.296  -6.962   1.082
  134    HE2  LYS  18           HE2      LYS  18 123.521  -7.248  -1.339
  135    HE3  LYS  18           HE3      LYS  18 124.804  -6.030  -1.411
  136    HZ1  LYS  18           HZ1      LYS  18 125.045  -8.621   0.032
  137    HZ2  LYS  18           HZ2      LYS  18 125.678  -8.312  -1.442
  138    HZ3  LYS  18           HZ3      LYS  18 126.243  -7.507  -0.140
  139    H    GLY  19           H        GLY  19 122.627  -2.070  -0.603
  140    HA2  GLY  19           HA2      GLY  19 122.823  -1.122  -3.332
  141    HA3  GLY  19           HA3      GLY  19 123.823  -0.624  -1.975
  142    HA   PRO  20           HA       PRO  20 126.281  -3.309  -5.010
  143    HB2  PRO  20           HB2      PRO  20 127.684  -1.446  -6.426
  144    HB3  PRO  20           HB3      PRO  20 125.998  -1.891  -6.825
  145    HG2  PRO  20           HG2      PRO  20 126.951   0.473  -5.171
  146    HG3  PRO  20           HG3      PRO  20 125.802   0.480  -6.547
  147    HD2  PRO  20           HD2      PRO  20 124.934   0.417  -3.962
  148    HD3  PRO  20           HD3      PRO  20 124.091  -0.485  -5.252
  149    H    LYS  21           H        LYS  21 128.387  -3.983  -4.740
  150    HA   LYS  21           HA       LYS  21 129.875  -3.296  -2.390
  151    HB2  LYS  21           HB2      LYS  21 129.876  -5.540  -3.492
  152    HB3  LYS  21           HB3      LYS  21 130.612  -4.842  -4.930
  153    HG2  LYS  21           HG2      LYS  21 132.683  -4.415  -3.795
  154    HG3  LYS  21           HG3      LYS  21 131.995  -4.832  -2.218
  155    HD2  LYS  21           HD2      LYS  21 131.684  -7.148  -2.893
  156    HD3  LYS  21           HD3      LYS  21 132.196  -6.799  -4.547
  157    HE2  LYS  21           HE2      LYS  21 133.973  -6.440  -2.085
  158    HE3  LYS  21           HE3      LYS  21 133.927  -7.909  -3.066
  159    HZ1  LYS  21           HZ1      LYS  21 134.724  -5.229  -4.085
  160    HZ2  LYS  21           HZ2      LYS  21 135.732  -6.496  -3.800
  161    HZ3  LYS  21           HZ3      LYS  21 134.624  -6.591  -4.993
  162    H    GLY  22           H        GLY  22 131.819  -2.309  -2.045
  163    HA2  GLY  22           HA2      GLY  22 132.283   0.088  -3.623
  164    HA3  GLY  22           HA3      GLY  22 133.109  -0.374  -2.143
  165    HA   PRO  23           HA       PRO  23 135.906  -1.027  -5.924
  166    HB2  PRO  23           HB2      PRO  23 137.284   1.310  -6.139
  167    HB3  PRO  23           HB3      PRO  23 135.645   1.100  -6.825
  168    HG2  PRO  23           HG2      PRO  23 136.401   2.351  -4.165
  169    HG3  PRO  23           HG3      PRO  23 135.321   3.018  -5.434
  170    HD2  PRO  23           HD2      PRO  23 134.362   1.661  -3.255
  171    HD3  PRO  23           HD3      PRO  23 133.582   1.553  -4.861
  172    H    LYS  24           H        LYS  24 138.196  -1.331  -5.956
  173    HA   LYS  24           HA       LYS  24 139.399  -2.211  -3.518
  174    HB2  LYS  24           HB2      LYS  24 139.835  -3.114  -5.808
  175    HB3  LYS  24           HB3      LYS  24 140.608  -1.590  -6.253
  176    HG2  LYS  24           HG2      LYS  24 142.391  -1.977  -4.610
  177    HG3  LYS  24           HG3      LYS  24 141.608  -3.470  -4.063
  178    HD2  LYS  24           HD2      LYS  24 141.942  -4.498  -6.248
  179    HD3  LYS  24           HD3      LYS  24 142.513  -2.958  -6.932
  180    HE2  LYS  24           HE2      LYS  24 144.430  -2.973  -5.342
  181    HE3  LYS  24           HE3      LYS  24 143.892  -4.542  -4.717
  182    HZ1  LYS  24           HZ1      LYS  24 145.607  -4.822  -6.402
  183    HZ2  LYS  24           HZ2      LYS  24 144.207  -5.447  -6.978
  184    HZ3  LYS  24           HZ3      LYS  24 144.742  -3.994  -7.520
  185    H    GLY  25           H        GLY  25 141.041  -1.443  -2.258
  186    HA2  GLY  25           HA2      GLY  25 141.339   1.428  -1.950
  187    HA3  GLY  25           HA3      GLY  25 142.160   0.179  -1.023
  188    HA   PRO  26           HA       PRO  26 145.022   2.251  -4.204
  189    HB2  PRO  26           HB2      PRO  26 146.335   4.156  -2.757
  190    HB3  PRO  26           HB3      PRO  26 144.720   4.431  -3.479
  191    HG2  PRO  26           HG2      PRO  26 145.360   3.585  -0.636
  192    HG3  PRO  26           HG3      PRO  26 144.306   4.936  -1.170
  193    HD2  PRO  26           HD2      PRO  26 143.263   2.507  -0.515
  194    HD3  PRO  26           HD3      PRO  26 142.607   3.454  -1.878
  195    H    LYS  27           H        LYS  27 147.283   2.003  -4.435
  196    HA   LYS  27           HA       LYS  27 148.546  -0.205  -3.182
  197    HB2  LYS  27           HB2      LYS  27 149.091   0.727  -5.438
  198    HB3  LYS  27           HB3      LYS  27 149.778   2.163  -4.671
  199    HG2  LYS  27           HG2      LYS  27 151.516   0.792  -3.594
  200    HG3  LYS  27           HG3      LYS  27 150.808  -0.685  -4.275
  201    HD2  LYS  27           HD2      LYS  27 151.348   0.033  -6.537
  202    HD3  LYS  27           HD3      LYS  27 151.827   1.647  -5.961
  203    HE2  LYS  27           HE2      LYS  27 153.653   0.659  -4.633
  204    HE3  LYS  27           HE3      LYS  27 153.212  -0.965  -5.189
  205    HZ1  LYS  27           HZ1      LYS  27 155.079   0.156  -6.420
  206    HZ2  LYS  27           HZ2      LYS  27 153.864  -0.368  -7.407
  207    HZ3  LYS  27           HZ3      LYS  27 154.014   1.223  -7.037
  208    H    GLY  28           H        GLY  28 149.952  -0.458  -1.506
  209    HA2  GLY  28           HA2      GLY  28 149.955   1.440   0.633
  210    HA3  GLY  28           HA3      GLY  28 150.914  -0.037   0.552
  211    HA   PRO  29           HA       PRO  29 153.714   3.780  -0.027
  212    HB2  PRO  29           HB2      PRO  29 154.592   4.275   2.512
  213    HB3  PRO  29           HB3      PRO  29 153.064   4.954   1.877
  214    HG2  PRO  29           HG2      PRO  29 153.428   2.464   3.566
  215    HG3  PRO  29           HG3      PRO  29 152.289   3.822   3.842
  216    HD2  PRO  29           HD2      PRO  29 151.533   1.512   2.594
  217    HD3  PRO  29           HD3      PRO  29 150.872   3.102   2.104
  218    H    LYS  30           H        LYS  30 156.099   3.677   0.174
  219    HA   LYS  30           HA       LYS  30 157.075   0.917   0.159
  220    HB2  LYS  30           HB2      LYS  30 159.109   1.798  -0.725
  221    HB3  LYS  30           HB3      LYS  30 157.735   2.557  -1.525
  222    HG2  LYS  30           HG2      LYS  30 158.047   4.593  -0.086
  223    HG3  LYS  30           HG3      LYS  30 159.414   3.805   0.707
  224    HD2  LYS  30           HD2      LYS  30 160.227   5.365  -0.945
  225    HD3  LYS  30           HD3      LYS  30 160.634   3.716  -1.446
  226    HE2  LYS  30           HE2      LYS  30 158.765   3.701  -3.049
  227    HE3  LYS  30           HE3      LYS  30 158.217   5.282  -2.471
  228    HZ1  LYS  30           HZ1      LYS  30 160.832   4.784  -3.803
  229    HZ2  LYS  30           HZ2      LYS  30 159.530   5.464  -4.517
  230    HZ3  LYS  30           HZ3      LYS  30 160.288   6.243  -3.301
  231    H    GLY  31           H        GLY  31 156.594   2.823   2.774
  232    HA2  GLY  31           HA2      GLY  31 157.761   1.149   4.643
  233    HA3  GLY  31           HA3      GLY  31 159.025   2.337   4.308
  234    HN1  NH2  32           HN1      NH2  32 157.252   4.670   3.963
  235    HN2  NH2  32           HN2      NH2  32 156.584   5.011   5.545
  236    H1   ACE  33           H1       ACE  33  77.390   4.752  -7.499
  237    H2   ACE  33           H2       ACE  33  79.122   4.815  -7.108
  238    H3   ACE  33           H3       ACE  33  78.526   3.614  -8.270
  239    H    ASP  34           H        ASP  34  78.956   4.406  -4.940
  240    HA   ASP  34           HA       ASP  34  77.561   2.012  -3.904
  241    HB2  ASP  34           HB2      ASP  34  80.569   2.473  -3.855
  242    HB3  ASP  34           HB3      ASP  34  79.783   1.484  -2.639
  243    HA   HYP  35           HA       HYP  35  76.581   4.330  -0.324
  244    HB2  HYP  35           HB2      HYP  35  78.064   2.209   1.261
  245    HB3  HYP  35           HB3      HYP  35  76.512   2.993   1.672
  246    HG   HYP  35           HG       HYP  35  76.561   0.569   0.486
  247   HD22  HYP  35          HD22      HYP  35  78.064   0.922  -1.257
  248   HD23  HYP  35          HD23      HYP  35  76.568   1.364  -2.124
  249    HD1  HYP  35           HD1      HYP  35  74.905   2.750   0.192
  250    H    GLY  36           H        GLY  36  80.060   3.624  -0.532
  251    HA2  GLY  36           HA2      GLY  36  80.676   6.188   0.796
  252    HA3  GLY  36           HA3      GLY  36  81.278   4.738   1.598
  253    H    ASP  37           H        ASP  37  82.959   6.698   0.818
  254    HA   ASP  37           HA       ASP  37  83.971   6.537  -1.841
  255    HB2  ASP  37           HB2      ASP  37  84.851   7.854   0.746
  256    HB3  ASP  37           HB3      ASP  37  85.863   7.945  -0.685
  257    HA   HYP  38           HA       HYP  38  87.161   3.414  -1.702
  258    HB2  HYP  38           HB2      HYP  38  89.278   4.775  -3.047
  259    HB3  HYP  38           HB3      HYP  38  87.989   3.796  -3.776
  260    HG   HYP  38           HG       HYP  38  88.216   6.755  -3.592
  261   HD22  HYP  38          HD22      HYP  38  86.152   7.198  -2.805
  262   HD23  HYP  38          HD23      HYP  38  85.411   5.784  -3.603
  263    HD1  HYP  38           HD1      HYP  38  88.210   5.832  -5.622
  264    H    GLY  39           H        GLY  39  89.269   2.912  -0.765
  265    HA2  GLY  39           HA2      GLY  39  90.100   4.664   1.434
  266    HA3  GLY  39           HA3      GLY  39  90.717   3.065   1.066
  267    H    ASP  40           H        ASP  40  92.234   5.270   1.887
  268    HA   ASP  40           HA       ASP  40  93.607   6.542  -0.271
  269    HB2  ASP  40           HB2      ASP  40  94.130   6.328   2.719
  270    HB3  ASP  40           HB3      ASP  40  95.004   7.396   1.627
  271    HA   HYP  41           HA       HYP  41  97.113   3.798  -1.049
  272    HB2  HYP  41           HB2      HYP  41  98.781   6.294  -0.957
  273    HB3  HYP  41           HB3      HYP  41  98.734   5.023  -2.206
  274    HG   HYP  41           HG       HYP  41  97.528   7.477  -2.511
  275   HD22  HYP  41          HD22      HYP  41  96.063   7.527  -0.711
  276   HD23  HYP  41          HD23      HYP  41  95.009   6.648  -1.855
  277    HD1  HYP  41           HD1      HYP  41  97.373   5.989  -4.161
  278    H    GLY  42           H        GLY  42  98.906   2.859  -0.015
  279    HA2  GLY  42           HA2      GLY  42  99.294   3.426   2.839
  280    HA3  GLY  42           HA3      GLY  42  99.986   2.108   1.911
  281    H    ASP  43           H        ASP  43 101.542   3.234   3.768
  282    HA   ASP  43           HA       ASP  43 103.134   5.463   2.954
  283    HB2  ASP  43           HB2      ASP  43 103.388   3.287   5.063
  284    HB3  ASP  43           HB3      ASP  43 104.599   4.541   4.862
  285    HA   HYP  44           HA       HYP  44 106.147   3.482   0.306
  286    HB2  HYP  44           HB2      HYP  44 108.465   4.973   1.043
  287    HB3  HYP  44           HB3      HYP  44 107.300   5.346  -0.243
  288    HG   HYP  44           HG       HYP  44 107.619   6.597   2.406
  289   HD22  HYP  44          HD22      HYP  44 105.628   6.119   3.332
  290   HD23  HYP  44          HD23      HYP  44 104.754   6.517   1.827
  291    HD1  HYP  44           HD1      HYP  44 106.679   8.302   1.326
  292    H    GLY  45           H        GLY  45 107.860   1.922   0.384
  293    HA2  GLY  45           HA2      GLY  45 108.566   0.746   2.953
  294    HA3  GLY  45           HA3      GLY  45 109.254   0.326   1.392
  295    H    ASP  46           H        ASP  46 110.758   0.463   3.750
  296    HA   ASP  46           HA       ASP  46 112.271   2.946   3.831
  297    HB2  ASP  46           HB2      ASP  46 112.412   0.257   5.217
  298    HB3  ASP  46           HB3      ASP  46 113.740   1.390   5.333
  299    HA   HYP  47           HA       HYP  47 115.443   2.053   0.828
  300    HB2  HYP  47           HB2      HYP  47 117.471   2.889   2.875
  301    HB3  HYP  47           HB3      HYP  47 117.243   3.491   1.212
  302    HG   HYP  47           HG       HYP  47 116.465   4.919   3.424
  303   HD22  HYP  47          HD22      HYP  47 115.060   3.361   4.458
  304   HD23  HYP  47          HD23      HYP  47 113.861   4.194   3.430
  305    HD1  HYP  47           HD1      HYP  47 116.055   5.733   1.366
  306    H    GLY  48           H        GLY  48 117.144   0.583   0.299
  307    HA2  GLY  48           HA2      GLY  48 117.372  -1.832   1.884
  308    HA3  GLY  48           HA3      GLY  48 118.294  -1.430   0.442
  309    H    ASP  49           H        ASP  49 119.432  -2.817   2.542
  310    HA   ASP  49           HA       ASP  49 121.072  -1.146   4.239
  311    HB2  ASP  49           HB2      ASP  49 121.041  -4.065   3.408
  312    HB3  ASP  49           HB3      ASP  49 122.390  -3.409   4.317
  313    HA   HYP  50           HA       HYP  50 124.206   0.103   1.442
  314    HB2  HYP  50           HB2      HYP  50 126.590  -0.308   2.961
  315    HB3  HYP  50           HB3      HYP  50 125.553   1.137   2.922
  316    HG   HYP  50           HG       HYP  50 125.648  -1.065   4.934
  317   HD22  HYP  50          HD22      HYP  50 123.413  -1.429   5.107
  318   HD23  HYP  50          HD23      HYP  50 122.987   0.247   4.652
  319    HD1  HYP  50           HD1      HYP  50 126.245   0.999   5.574
  320    H    GLY  51           H        GLY  51 125.877  -0.612   0.029
  321    HA2  GLY  51           HA2      GLY  51 126.262  -3.443  -0.439
  322    HA3  GLY  51           HA3      GLY  51 127.151  -2.127  -1.171
  323    H    ASP  52           H        ASP  52 128.281  -4.575  -0.475
  324    HA   ASP  52           HA       ASP  52 129.584  -4.586   2.033
  325    HB2  ASP  52           HB2      ASP  52 130.042  -6.022  -0.602
  326    HB3  ASP  52           HB3      ASP  52 131.005  -6.341   0.836
  327    HA   HYP  53           HA       HYP  53 133.118  -1.883   1.478
  328    HB2  HYP  53           HB2      HYP  53 134.717  -4.019   2.860
  329    HB3  HYP  53           HB3      HYP  53 134.618  -2.275   3.228
  330    HG   HYP  53           HG       HYP  53 133.322  -4.146   4.735
  331   HD22  HYP  53          HD22      HYP  53 132.124  -5.273   3.050
  332   HD23  HYP  53          HD23      HYP  53 130.910  -4.048   3.516
  333    HD1  HYP  53           HD1      HYP  53 131.758  -2.543   5.187
  334    H    GLY  54           H        GLY  54 134.877  -1.581   0.123
  335    HA2  GLY  54           HA2      GLY  54 135.411  -3.475  -1.984
  336    HA3  GLY  54           HA3      GLY  54 136.263  -1.967  -1.676
  337    H    ASP  55           H        ASP  55 137.608  -4.172  -2.631
  338    HA   ASP  55           HA       ASP  55 138.840  -5.786  -0.620
  339    HB2  ASP  55           HB2      ASP  55 139.430  -5.147  -3.529
  340    HB3  ASP  55           HB3      ASP  55 140.457  -6.205  -2.575
  341    HA   HYP  56           HA       HYP  56 142.140  -3.058   0.845
  342    HB2  HYP  56           HB2      HYP  56 143.822  -5.546   0.782
  343    HB3  HYP  56           HB3      HYP  56 143.622  -4.363   2.102
  344    HG   HYP  56           HG       HYP  56 142.405  -6.818   2.123
  345   HD22  HYP  56          HD22      HYP  56 141.224  -6.757   0.103
  346   HD23  HYP  56          HD23      HYP  56 139.986  -6.010   1.155
  347    HD1  HYP  56           HD1      HYP  56 141.413  -5.906   3.752
  348    H    GLY  57           H        GLY  57 143.891  -1.948  -0.026
  349    HA2  GLY  57           HA2      GLY  57 144.701  -2.344  -2.781
  350    HA3  GLY  57           HA3      GLY  57 145.458  -1.271  -1.610
  351    H    ASP  58           H        ASP  58 146.965  -2.709  -3.479
  352    HA   ASP  58           HA       ASP  58 148.065  -5.095  -2.250
  353    HB2  ASP  58           HB2      ASP  58 148.655  -3.448  -4.717
  354    HB3  ASP  58           HB3      ASP  58 149.782  -4.670  -4.172
  355    HA   HYP  59           HA       HYP  59 151.316  -3.374   0.262
  356    HB2  HYP  59           HB2      HYP  59 153.184  -5.324  -1.044
  357    HB3  HYP  59           HB3      HYP  59 152.870  -5.054   0.692
  358    HG   HYP  59           HG       HYP  59 151.875  -7.210  -0.712
  359   HD22  HYP  59          HD22      HYP  59 150.601  -6.175  -2.351
  360   HD23  HYP  59          HD23      HYP  59 149.374  -6.169  -1.054
  361    HD1  HYP  59           HD1      HYP  59 151.429  -6.977   1.483
  362    H    GLY  60           H        GLY  60 153.189  -2.040   0.191
  363    HA2  GLY  60           HA2      GLY  60 153.700  -0.621  -2.279
  364    HA3  GLY  60           HA3      GLY  60 154.503  -0.376  -0.739
  365    H    ASP  61           H        ASP  61 156.085   0.012  -2.752
  366    HA   ASP  61           HA       ASP  61 157.630  -2.240  -3.681
  367    HB2  ASP  61           HB2      ASP  61 158.023   0.765  -3.513
  368    HB3  ASP  61           HB3      ASP  61 159.353  -0.282  -3.971
  369    HA   HYP  62           HA       HYP  62 160.247  -3.341  -0.248
  370    HB2  HYP  62           HB2      HYP  62 162.561  -2.729  -2.102
  371    HB3  HYP  62           HB3      HYP  62 162.357  -4.122  -1.008
  372    HG   HYP  62           HG       HYP  62 161.841  -4.335  -3.662
  373   HD22  HYP  62          HD22      HYP  62 160.410  -2.517  -4.011
  374   HD23  HYP  62          HD23      HYP  62 159.173  -3.739  -3.602
  375    HD1  HYP  62           HD1      HYP  62 160.157  -5.824  -3.130
  376    H    GLY  63           H        GLY  63 161.242  -2.397   1.494
  377    HA2  GLY  63           HA2      GLY  63 163.084  -0.534   1.860
  378    HA3  GLY  63           HA3      GLY  63 161.734   0.528   1.449
  379    HN1  NH2  64           HN1      NH2  64 160.094  -1.841   3.051
  380    HN2  NH2  64           HN2      NH2  64 160.281  -1.262   4.693
  381    H1   ACE  65           H1       ACE  65  75.436  -1.014   3.948
  382    H2   ACE  65           H2       ACE  65  75.160  -0.752   2.211
  383    H3   ACE  65           H3       ACE  65  74.912  -2.366   2.923
  384    HA   PRO  66           HA       PRO  66  78.932  -3.574   1.609
  385    HB2  PRO  66           HB2      PRO  66  78.701  -2.156  -1.046
  386    HB3  PRO  66           HB3      PRO  66  79.269  -3.818  -0.696
  387    HG2  PRO  66           HG2      PRO  66  76.750  -3.399  -1.600
  388    HG3  PRO  66           HG3      PRO  66  77.041  -4.567  -0.270
  389    HD2  PRO  66           HD2      PRO  66  76.032  -1.724  -0.088
  390    HD3  PRO  66           HD3      PRO  66  75.478  -3.183   0.786
  391    HA   HYP  67           HA       HYP  67  81.643  -0.042   2.634
  392    HB2  HYP  67           HB2      HYP  67  83.771  -2.039   1.896
  393    HB3  HYP  67           HB3      HYP  67  83.691  -0.961   3.317
  394    HG   HYP  67           HG       HYP  67  83.109  -3.618   3.489
  395   HD22  HYP  67          HD22      HYP  67  81.510  -3.812   1.776
  396   HD23  HYP  67          HD23      HYP  67  80.415  -3.464   3.145
  397    HD1  HYP  67           HD1      HYP  67  81.688  -3.096   5.193
  398    H    GLY  68           H        GLY  68  83.070   1.404   1.547
  399    HA2  GLY  68           HA2      GLY  68  83.448   1.264  -1.354
  400    HA3  GLY  68           HA3      GLY  68  84.257   2.361  -0.234
  401    HA   PRO  69           HA       PRO  69  86.802  -1.529  -1.411
  402    HB2  PRO  69           HB2      PRO  69  88.421  -0.711  -3.473
  403    HB3  PRO  69           HB3      PRO  69  86.772  -1.370  -3.698
  404    HG2  PRO  69           HG2      PRO  69  87.610   1.538  -3.562
  405    HG3  PRO  69           HG3      PRO  69  86.571   0.750  -4.792
  406    HD2  PRO  69           HD2      PRO  69  85.494   2.110  -2.695
  407    HD3  PRO  69           HD3      PRO  69  84.751   0.592  -3.284
  408    HA   HYP  70           HA       HYP  70  90.335  -0.009   1.061
  409    HB2  HYP  70           HB2      HYP  70  91.819  -2.214  -0.331
  410    HB3  HYP  70           HB3      HYP  70  91.764  -1.827   1.408
  411    HG   HYP  70           HG       HYP  70  90.368  -3.911   0.289
  412   HD22  HYP  70          HD22      HYP  70  89.033  -2.833  -1.289
  413   HD23  HYP  70          HD23      HYP  70  87.968  -2.587   0.125
  414    HD1  HYP  70           HD1      HYP  70  88.967  -3.738   2.047
  415    H    GLY  71           H        GLY  71  92.282   1.114   0.790
  416    HA2  GLY  71           HA2      GLY  71  92.908   2.139  -1.891
  417    HA3  GLY  71           HA3      GLY  71  93.693   2.575  -0.381
  418    HA   PRO  72           HA       PRO  72  96.131  -0.591  -2.943
  419    HB2  PRO  72           HB2      PRO  72  97.965   0.922  -4.305
  420    HB3  PRO  72           HB3      PRO  72  96.303   0.621  -4.895
  421    HG2  PRO  72           HG2      PRO  72  97.321   3.032  -3.360
  422    HG3  PRO  72           HG3      PRO  72  96.359   3.014  -4.873
  423    HD2  PRO  72           HD2      PRO  72  95.183   3.340  -2.435
  424    HD3  PRO  72           HD3      PRO  72  94.393   2.388  -3.727
  425    HA   HYP  73           HA       HYP  73  99.647  -0.677  -0.015
  426    HB2  HYP  73           HB2      HYP  73 101.162  -1.794  -2.356
  427    HB3  HYP  73           HB3      HYP  73 101.072  -2.409  -0.684
  428    HG   HYP  73           HG       HYP  73  99.713  -3.557  -2.769
  429   HD22  HYP  73          HD22      HYP  73  98.445  -1.761  -3.559
  430   HD23  HYP  73          HD23      HYP  73  97.313  -2.331  -2.298
  431    HD1  HYP  73           HD1      HYP  73  98.293  -4.363  -1.237
  432    H    GLY  74           H        GLY  74 101.575   0.485   0.371
  433    HA2  GLY  74           HA2      GLY  74 102.223   2.747  -1.357
  434    HA3  GLY  74           HA3      GLY  74 103.097   2.241   0.079
  435    HA   PRO  75           HA       PRO  75 105.263   0.976  -3.959
  436    HB2  PRO  75           HB2      PRO  75 107.159   2.931  -4.307
  437    HB3  PRO  75           HB3      PRO  75 105.472   3.080  -4.886
  438    HG2  PRO  75           HG2      PRO  75 106.647   4.135  -2.291
  439    HG3  PRO  75           HG3      PRO  75 105.677   5.031  -3.506
  440    HD2  PRO  75           HD2      PRO  75 104.521   3.968  -1.287
  441    HD3  PRO  75           HD3      PRO  75 103.687   3.921  -2.870
  442    HA   HYP  76           HA       HYP  76 108.863  -0.905  -1.897
  443    HB2  HYP  76           HB2      HYP  76 110.344  -0.274  -4.433
  444    HB3  HYP  76           HB3      HYP  76 110.257  -1.816  -3.543
  445    HG   HYP  76           HG       HYP  76 108.859  -1.335  -5.862
  446   HD22  HYP  76          HD22      HYP  76 107.597   0.530  -5.291
  447   HD23  HYP  76          HD23      HYP  76 106.486  -0.716  -4.654
  448    HD1  HYP  76           HD1      HYP  76 108.677  -3.306  -4.770
  449    H    GLY  77           H        GLY  77 110.765  -0.263  -0.842
  450    HA2  GLY  77           HA2      GLY  77 111.571   2.548  -0.844
  451    HA3  GLY  77           HA3      GLY  77 112.377   1.224  -0.012
  452    HA   PRO  78           HA       PRO  78 114.616   2.427  -4.046
  453    HB2  PRO  78           HB2      PRO  78 116.547   4.188  -3.224
  454    HB3  PRO  78           HB3      PRO  78 114.880   4.694  -3.632
  455    HG2  PRO  78           HG2      PRO  78 116.020   4.081  -0.888
  456    HG3  PRO  78           HG3      PRO  78 115.098   5.533  -1.398
  457    HD2  PRO  78           HD2      PRO  78 113.882   3.434  -0.155
  458    HD3  PRO  78           HD3      PRO  78 113.066   4.332  -1.468
  459    HA   HYP  79           HA       HYP  79 118.106  -0.372  -3.292
  460    HB2  HYP  79           HB2      HYP  79 119.749   1.590  -4.862
  461    HB3  HYP  79           HB3      HYP  79 119.643  -0.180  -5.046
  462    HG   HYP  79           HG       HYP  79 118.377   1.575  -6.742
  463   HD22  HYP  79          HD22      HYP  79 117.063   2.804  -5.262
  464   HD23  HYP  79          HD23      HYP  79 115.920   1.460  -5.543
  465    HD1  HYP  79           HD1      HYP  79 118.178  -0.683  -6.951
  466    H    GLY  80           H        GLY  80 119.768  -0.541  -1.811
  467    HA2  GLY  80           HA2      GLY  80 120.188   1.534   0.098
  468    HA3  GLY  80           HA3      GLY  80 121.112   0.041  -0.018
  469    HA   PRO  81           HA       PRO  81 123.680   3.809  -1.282
  470    HB2  PRO  81           HB2      PRO  81 125.315   3.634   1.101
  471    HB3  PRO  81           HB3      PRO  81 124.319   4.991   0.514
  472    HG2  PRO  81           HG2      PRO  81 123.769   3.259   2.746
  473    HG3  PRO  81           HG3      PRO  81 122.695   4.488   2.024
  474    HD2  PRO  81           HD2      PRO  81 122.559   1.568   1.757
  475    HD3  PRO  81           HD3      PRO  81 121.342   2.817   1.384
  476    HA   HYP  82           HA       HYP  82 127.022   1.133  -2.789
  477    HB2  HYP  82           HB2      HYP  82 128.786   3.536  -2.429
  478    HB3  HYP  82           HB3      HYP  82 128.604   2.480  -3.854
  479    HG   HYP  82           HG       HYP  82 127.495   4.987  -3.685
  480   HD22  HYP  82          HD22      HYP  82 126.119   4.801  -1.816
  481   HD23  HYP  82          HD23      HYP  82 124.982   4.133  -3.025
  482    HD1  HYP  82           HD1      HYP  82 126.076   4.306  -5.265
  483    H    GLY  83           H        GLY  83 128.710  -0.085  -1.919
  484    HA2  GLY  83           HA2      GLY  83 129.404   0.147   0.895
  485    HA3  GLY  83           HA3      GLY  83 130.148  -0.931  -0.286
  486    HA   PRO  84           HA       PRO  84 132.677   3.034   0.573
  487    HB2  PRO  84           HB2      PRO  84 134.344   2.411   2.663
  488    HB3  PRO  84           HB3      PRO  84 132.685   3.047   2.878
  489    HG2  PRO  84           HG2      PRO  84 133.587   0.148   2.939
  490    HG3  PRO  84           HG3      PRO  84 132.563   1.012   4.132
  491    HD2  PRO  84           HD2      PRO  84 131.468  -0.520   2.162
  492    HD3  PRO  84           HD3      PRO  84 130.702   1.012   2.679
  493    HA   HYP  85           HA       HYP  85 136.299   1.464  -1.687
  494    HB2  HYP  85           HB2      HYP  85 137.872   3.454  -0.074
  495    HB3  HYP  85           HB3      HYP  85 137.890   3.177  -1.836
  496    HG   HYP  85           HG       HYP  85 136.591   5.305  -0.688
  497   HD22  HYP  85          HD22      HYP  85 135.171   4.209   0.812
  498   HD23  HYP  85          HD23      HYP  85 134.106   4.206  -0.624
  499    HD1  HYP  85           HD1      HYP  85 136.514   4.914  -2.928
  500    H    GLY  86           H        GLY  86 137.965  -0.023  -1.298
  501    HA2  GLY  86           HA2      GLY  86 138.278  -1.203   1.323
  502    HA3  GLY  86           HA3      GLY  86 139.271  -1.532  -0.090
  503    HA   PRO  87           HA       PRO  87 141.448   1.213   3.135
  504    HB2  PRO  87           HB2      PRO  87 143.087  -0.588   4.437
  505    HB3  PRO  87           HB3      PRO  87 141.420  -0.189   4.948
  506    HG2  PRO  87           HG2      PRO  87 142.349  -2.527   3.259
  507    HG3  PRO  87           HG3      PRO  87 141.244  -2.553   4.672
  508    HD2  PRO  87           HD2      PRO  87 140.289  -2.556   2.124
  509    HD3  PRO  87           HD3      PRO  87 139.468  -1.631   3.416
  510    HA   HYP  88           HA       HYP  88 145.251   1.499   0.618
  511    HB2  HYP  88           HB2      HYP  88 146.580   2.148   3.233
  512    HB3  HYP  88           HB3      HYP  88 146.687   3.015   1.677
  513    HG   HYP  88           HG       HYP  88 145.176   3.917   3.791
  514   HD22  HYP  88          HD22      HYP  88 143.755   2.113   4.160
  515   HD23  HYP  88          HD23      HYP  88 142.788   2.942   2.906
  516    HD1  HYP  88           HD1      HYP  88 145.116   5.134   1.956
  517    H    GLY  89           H        GLY  89 146.976   0.116   0.140
  518    HA2  GLY  89           HA2      GLY  89 147.233  -2.413   1.484
  519    HA3  GLY  89           HA3      GLY  89 148.360  -1.757   0.298
  520    HA   PRO  90           HA       PRO  90 150.065  -1.567   4.748
  521    HB2  PRO  90           HB2      PRO  90 151.668  -3.798   4.897
  522    HB3  PRO  90           HB3      PRO  90 149.930  -3.795   5.327
  523    HG2  PRO  90           HG2      PRO  90 151.203  -4.596   2.701
  524    HG3  PRO  90           HG3      PRO  90 149.989  -5.506   3.658
  525    HD2  PRO  90           HD2      PRO  90 149.264  -3.954   1.543
  526    HD3  PRO  90           HD3      PRO  90 148.252  -4.037   3.015
  527    HA   HYP  91           HA       HYP  91 153.967   0.182   3.306
  528    HB2  HYP  91           HB2      HYP  91 155.217  -1.028   5.751
  529    HB3  HYP  91           HB3      HYP  91 155.343   0.639   5.128
  530    HG   HYP  91           HG       HYP  91 153.736  -0.044   7.252
  531   HD22  HYP  91          HD22      HYP  91 152.342  -1.650   6.304
  532   HD23  HYP  91          HD23      HYP  91 151.408  -0.200   5.829
  533    HD1  HYP  91           HD1      HYP  91 153.846   2.081   6.473
  534    H    GLY  92           H        GLY  92 155.492  -0.581   1.913
  535    HA2  GLY  92           HA2      GLY  92 155.262  -3.137   0.932
  536    HA3  GLY  92           HA3      GLY  92 156.559  -2.042   0.527
  537    HA   PRO  93           HA       PRO  93 158.200  -5.323   3.675
  538    HB2  PRO  93           HB2      PRO  93 157.573  -7.893   3.008
  539    HB3  PRO  93           HB3      PRO  93 156.559  -6.875   4.075
  540    HG2  PRO  93           HG2      PRO  93 156.187  -7.414   1.116
  541    HG3  PRO  93           HG3      PRO  93 154.958  -7.459   2.418
  542    HD2  PRO  93           HD2      PRO  93 155.331  -5.289   0.786
  543    HD3  PRO  93           HD3      PRO  93 154.811  -5.128   2.491
  544    HA   HYP  94           HA       HYP  94 161.441  -5.549   0.497
  545    HB2  HYP  94           HB2      HYP  94 162.796  -7.098   2.713
  546    HB3  HYP  94           HB3      HYP  94 163.488  -5.861   1.622
  547    HG   HYP  94           HG       HYP  94 162.734  -5.227   4.156
  548   HD22  HYP  94          HD22      HYP  94 160.555  -6.101   4.199
  549   HD23  HYP  94          HD23      HYP  94 160.187  -4.439   3.652
  550    HD1  HYP  94           HD1      HYP  94 163.351  -3.599   2.750
  551    H    GLY  95           H        GLY  95 161.357  -6.894  -1.180
  552    HA2  GLY  95           HA2      GLY  95 161.876  -8.943  -2.287
  553    HA3  GLY  95           HA3      GLY  95 161.497  -9.854  -0.827
  554    HN1  NH2  96           HN1      NH2  96 158.902  -7.857  -0.850
  555    HN2  NH2  96           HN2      NH2  96 157.834  -8.765  -1.906
  Start of MODEL    6
    1    H1   ACE   1           H1       ACE   1  79.526   7.827   6.252
    2    H2   ACE   1           H2       ACE   1  77.770   7.710   6.496
    3    H3   ACE   1           H3       ACE   1  78.862   6.559   7.306
    4    HA   PRO   2           HA       PRO   2  78.157   3.635   4.078
    5    HB2  PRO   2           HB2      PRO   2  75.189   4.187   3.951
    6    HB3  PRO   2           HB3      PRO   2  76.040   2.615   4.073
    7    HG2  PRO   2           HG2      PRO   2  74.905   3.722   6.267
    8    HG3  PRO   2           HG3      PRO   2  76.537   2.983   6.382
    9    HD2  PRO   2           HD2      PRO   2  75.814   5.909   6.123
   10    HD3  PRO   2           HD3      PRO   2  77.013   5.129   7.198
   11    H    LYS   3           H        LYS   3  76.713   6.753   3.431
   12    HA   LYS   3           HA       LYS   3  76.382   6.481   0.553
   13    HB2  LYS   3           HB2      LYS   3  76.527   8.976   2.299
   14    HB3  LYS   3           HB3      LYS   3  75.890   8.891   0.661
   15    HG2  LYS   3           HG2      LYS   3  74.663   7.581   3.127
   16    HG3  LYS   3           HG3      LYS   3  74.099   9.027   2.297
   17    HD2  LYS   3           HD2      LYS   3  73.672   7.666   0.240
   18    HD3  LYS   3           HD3      LYS   3  74.139   6.203   1.140
   19    HE2  LYS   3           HE2      LYS   3  72.344   6.617   2.786
   20    HE3  LYS   3           HE3      LYS   3  71.900   8.113   1.954
   21    HZ1  LYS   3           HZ1      LYS   3  71.714   5.393   0.763
   22    HZ2  LYS   3           HZ2      LYS   3  70.453   6.279   1.301
   23    HZ3  LYS   3           HZ3      LYS   3  71.302   6.782   0.002
   24    H    GLY   4           H        GLY   4  79.272   6.508   2.179
   25    HA2  GLY   4           HA2      GLY   4  80.901   7.091  -0.068
   26    HA3  GLY   4           HA3      GLY   4  80.762   8.532   0.945
   27    HA   PRO   5           HA       PRO   5  82.938   5.719   4.065
   28    HB2  PRO   5           HB2      PRO   5  83.237   3.018   3.768
   29    HB3  PRO   5           HB3      PRO   5  81.737   3.776   4.382
   30    HG2  PRO   5           HG2      PRO   5  82.330   2.881   1.539
   31    HG3  PRO   5           HG3      PRO   5  80.888   2.510   2.536
   32    HD2  PRO   5           HD2      PRO   5  80.861   4.547   0.739
   33    HD3  PRO   5           HD3      PRO   5  80.060   4.691   2.328
   34    H    LYS   6           H        LYS   6  85.016   6.425   3.885
   35    HA   LYS   6           HA       LYS   6  86.793   5.676   1.697
   36    HB2  LYS   6           HB2      LYS   6  86.821   7.894   2.927
   37    HB3  LYS   6           HB3      LYS   6  87.479   7.045   4.332
   38    HG2  LYS   6           HG2      LYS   6  89.451   6.370   2.981
   39    HG3  LYS   6           HG3      LYS   6  88.777   7.193   1.565
   40    HD2  LYS   6           HD2      LYS   6  88.965   9.355   2.662
   41    HD3  LYS   6           HD3      LYS   6  89.453   8.585   4.192
   42    HE2  LYS   6           HE2      LYS   6  91.467   7.668   3.139
   43    HE3  LYS   6           HE3      LYS   6  90.999   8.335   1.568
   44    HZ1  LYS   6           HZ1      LYS   6  91.546  10.007   3.967
   45    HZ2  LYS   6           HZ2      LYS   6  92.660   9.670   2.820
   46    HZ3  LYS   6           HZ3      LYS   6  91.318  10.547   2.435
   47    H    GLY   7           H        GLY   7  88.504   4.273   1.674
   48    HA2  GLY   7           HA2      GLY   7  88.584   2.107   3.660
   49    HA3  GLY   7           HA3      GLY   7  89.522   2.218   2.177
   50    HA   PRO   8           HA       PRO   8  92.160   3.334   5.961
   51    HB2  PRO   8           HB2      PRO   8  93.477   1.001   6.505
   52    HB3  PRO   8           HB3      PRO   8  91.834   1.354   7.117
   53    HG2  PRO   8           HG2      PRO   8  92.587  -0.235   4.640
   54    HG3  PRO   8           HG3      PRO   8  91.485  -0.725   5.970
   55    HD2  PRO   8           HD2      PRO   8  90.502   0.355   3.681
   56    HD3  PRO   8           HD3      PRO   8  89.815   0.787   5.271
   57    H    LYS   9           H        LYS   9  94.436   3.632   6.086
   58    HA   LYS   9           HA       LYS   9  95.872   4.085   3.658
   59    HB2  LYS   9           HB2      LYS   9  96.201   5.325   5.803
   60    HB3  LYS   9           HB3      LYS   9  96.839   3.858   6.549
   61    HG2  LYS   9           HG2      LYS   9  98.757   3.872   5.012
   62    HG3  LYS   9           HG3      LYS   9  98.109   5.296   4.176
   63    HD2  LYS   9           HD2      LYS   9  98.383   6.646   6.210
   64    HD3  LYS   9           HD3      LYS   9  98.862   5.204   7.136
   65    HE2  LYS   9           HE2      LYS   9 100.805   4.891   5.599
   66    HE3  LYS   9           HE3      LYS   9 100.371   6.388   4.756
   67    HZ1  LYS   9           HZ1      LYS   9 101.087   6.222   7.643
   68    HZ2  LYS   9           HZ2      LYS   9 102.121   6.669   6.458
   69    HZ3  LYS   9           HZ3      LYS   9 100.808   7.604   6.803
   70    H    GLY  10           H        GLY  10  97.506   3.022   2.627
   71    HA2  GLY  10           HA2      GLY  10  97.640   0.128   2.844
   72    HA3  GLY  10           HA3      GLY  10  98.525   1.141   1.712
   73    HA   PRO  11           HA       PRO  11 101.319  -0.537   5.182
   74    HB2  PRO  11           HB2      PRO  11 102.532  -2.681   4.002
   75    HB3  PRO  11           HB3      PRO  11 100.911  -2.786   4.755
   76    HG2  PRO  11           HG2      PRO  11 101.568  -2.339   1.822
   77    HG3  PRO  11           HG3      PRO  11 100.472  -3.574   2.525
   78    HD2  PRO  11           HD2      PRO  11  99.494  -1.227   1.574
   79    HD3  PRO  11           HD3      PRO  11  98.840  -1.949   3.071
   80    H    LYS  12           H        LYS  12 103.585  -0.331   5.386
   81    HA   LYS  12           HA       LYS  12 104.993   1.472   3.687
   82    HB2  LYS  12           HB2      LYS  12 105.435   0.994   6.136
   83    HB3  LYS  12           HB3      LYS  12 106.152  -0.548   5.651
   84    HG2  LYS  12           HG2      LYS  12 107.786   0.797   4.223
   85    HG3  LYS  12           HG3      LYS  12 107.100   2.258   4.911
   86    HD2  LYS  12           HD2      LYS  12 109.117   1.797   6.077
   87    HD3  LYS  12           HD3      LYS  12 107.800   1.403   7.198
   88    HE2  LYS  12           HE2      LYS  12 108.044  -0.998   6.663
   89    HE3  LYS  12           HE3      LYS  12 109.254  -0.623   5.424
   90    HZ1  LYS  12           HZ1      LYS  12 109.618  -0.044   8.323
   91    HZ2  LYS  12           HZ2      LYS  12 110.248  -1.343   7.556
   92    HZ3  LYS  12           HZ3      LYS  12 110.754   0.154   7.146
   93    H    GLY  13           H        GLY  13 106.558   1.204   2.128
   94    HA2  GLY  13           HA2      GLY  13 106.512  -1.158   0.462
   95    HA3  GLY  13           HA3      GLY  13 107.570   0.235   0.274
   96    HA   PRO  14           HA       PRO  14 109.929  -3.552   1.892
   97    HB2  PRO  14           HB2      PRO  14 111.100  -4.542  -0.365
   98    HB3  PRO  14           HB3      PRO  14 109.417  -4.938   0.099
   99    HG2  PRO  14           HG2      PRO  14 110.353  -2.794  -1.834
  100    HG3  PRO  14           HG3      PRO  14 109.112  -4.059  -2.114
  101    HD2  PRO  14           HD2      PRO  14 108.409  -1.545  -1.342
  102    HD3  PRO  14           HD3      PRO  14 107.555  -2.977  -0.706
  103    H    LYS  15           H        LYS  15 112.121  -3.649   2.366
  104    HA   LYS  15           HA       LYS  15 113.754  -1.318   2.206
  105    HB2  LYS  15           HB2      LYS  15 113.913  -3.115   3.944
  106    HB3  LYS  15           HB3      LYS  15 114.508  -4.235   2.716
  107    HG2  LYS  15           HG2      LYS  15 116.537  -2.875   2.408
  108    HG3  LYS  15           HG3      LYS  15 115.933  -1.670   3.562
  109    HD2  LYS  15           HD2      LYS  15 116.033  -3.294   5.389
  110    HD3  LYS  15           HD3      LYS  15 116.353  -4.606   4.253
  111    HE2  LYS  15           HE2      LYS  15 118.418  -4.131   5.279
  112    HE3  LYS  15           HE3      LYS  15 118.522  -3.537   3.625
  113    HZ1  LYS  15           HZ1      LYS  15 117.988  -1.832   6.009
  114    HZ2  LYS  15           HZ2      LYS  15 119.447  -2.015   5.291
  115    HZ3  LYS  15           HZ3      LYS  15 118.217  -1.270   4.474
  116    H    GLY  16           H        GLY  16 115.431  -0.706   0.914
  117    HA2  GLY  16           HA2      GLY  16 115.413  -1.528  -1.834
  118    HA3  GLY  16           HA3      GLY  16 116.539  -0.398  -1.095
  119    HA   PRO  17           HA       PRO  17 118.687  -4.500  -2.148
  120    HB2  PRO  17           HB2      PRO  17 119.864  -3.977  -4.551
  121    HB3  PRO  17           HB3      PRO  17 118.159  -4.501  -4.408
  122    HG2  PRO  17           HG2      PRO  17 119.216  -1.673  -4.703
  123    HG3  PRO  17           HG3      PRO  17 117.907  -2.466  -5.637
  124    HD2  PRO  17           HD2      PRO  17 117.397  -0.853  -3.484
  125    HD3  PRO  17           HD3      PRO  17 116.391  -2.286  -3.853
  126    H    LYS  18           H        LYS  18 120.932  -4.934  -1.952
  127    HA   LYS  18           HA       LYS  18 122.483  -3.094  -0.443
  128    HB2  LYS  18           HB2      LYS  18 122.606  -5.635  -0.465
  129    HB3  LYS  18           HB3      LYS  18 123.477  -5.515  -1.999
  130    HG2  LYS  18           HG2      LYS  18 125.185  -4.067  -0.758
  131    HG3  LYS  18           HG3      LYS  18 124.328  -4.435   0.729
  132    HD2  LYS  18           HD2      LYS  18 126.237  -5.868   0.580
  133    HD3  LYS  18           HD3      LYS  18 124.806  -6.883   0.312
  134    HE2  LYS  18           HE2      LYS  18 125.190  -6.838  -2.118
  135    HE3  LYS  18           HE3      LYS  18 126.511  -5.675  -1.926
  136    HZ1  LYS  18           HZ1      LYS  18 126.562  -8.432  -0.806
  137    HZ2  LYS  18           HZ2      LYS  18 127.289  -7.989  -2.200
  138    HZ3  LYS  18           HZ3      LYS  18 127.813  -7.359  -0.791
  139    H    GLY  19           H        GLY  19 124.299  -1.861  -0.874
  140    HA2  GLY  19           HA2      GLY  19 124.599  -0.697  -3.529
  141    HA3  GLY  19           HA3      GLY  19 125.533  -0.304  -2.094
  142    HA   PRO  20           HA       PRO  20 128.121  -2.856  -5.128
  143    HB2  PRO  20           HB2      PRO  20 129.565  -0.962  -6.442
  144    HB3  PRO  20           HB3      PRO  20 127.878  -1.353  -6.891
  145    HG2  PRO  20           HG2      PRO  20 128.841   0.908  -5.099
  146    HG3  PRO  20           HG3      PRO  20 127.741   1.015  -6.512
  147    HD2  PRO  20           HD2      PRO  20 126.778   0.841  -3.965
  148    HD3  PRO  20           HD3      PRO  20 125.964   0.024  -5.328
  149    H    LYS  21           H        LYS  21 130.315  -3.427  -4.963
  150    HA   LYS  21           HA       LYS  21 131.680  -3.022  -2.508
  151    HB2  LYS  21           HB2      LYS  21 131.907  -5.002  -4.019
  152    HB3  LYS  21           HB3      LYS  21 132.717  -3.985  -5.213
  153    HG2  LYS  21           HG2      LYS  21 134.595  -3.616  -3.649
  154    HG3  LYS  21           HG3      LYS  21 133.782  -4.602  -2.418
  155    HD2  LYS  21           HD2      LYS  21 133.979  -6.592  -3.819
  156    HD3  LYS  21           HD3      LYS  21 134.497  -5.618  -5.197
  157    HE2  LYS  21           HE2      LYS  21 136.451  -6.655  -4.381
  158    HE3  LYS  21           HE3      LYS  21 136.560  -4.948  -3.959
  159    HZ1  LYS  21           HZ1      LYS  21 135.778  -7.133  -2.091
  160    HZ2  LYS  21           HZ2      LYS  21 137.247  -6.409  -2.156
  161    HZ3  LYS  21           HZ3      LYS  21 135.934  -5.549  -1.659
  162    H    GLY  22           H        GLY  22 133.475  -1.871  -1.884
  163    HA2  GLY  22           HA2      GLY  22 133.884   0.741  -3.094
  164    HA3  GLY  22           HA3      GLY  22 134.716   0.099  -1.684
  165    HA   PRO  23           HA       PRO  23 137.563   0.035  -5.513
  166    HB2  PRO  23           HB2      PRO  23 138.918   2.399  -5.341
  167    HB3  PRO  23           HB3      PRO  23 137.323   2.259  -6.141
  168    HG2  PRO  23           HG2      PRO  23 137.903   3.140  -3.296
  169    HG3  PRO  23           HG3      PRO  23 136.893   3.974  -4.522
  170    HD2  PRO  23           HD2      PRO  23 135.787   2.349  -2.635
  171    HD3  PRO  23           HD3      PRO  23 135.158   2.389  -4.306
  172    H    LYS  24           H        LYS  24 139.840  -0.337  -5.482
  173    HA   LYS  24           HA       LYS  24 140.989  -1.349  -3.049
  174    HB2  LYS  24           HB2      LYS  24 141.491  -2.041  -5.466
  175    HB3  LYS  24           HB3      LYS  24 142.435  -0.553  -5.610
  176    HG2  LYS  24           HG2      LYS  24 143.770  -1.388  -3.583
  177    HG3  LYS  24           HG3      LYS  24 142.916  -2.907  -3.722
  178    HD2  LYS  24           HD2      LYS  24 145.010  -3.211  -4.797
  179    HD3  LYS  24           HD3      LYS  24 143.825  -3.072  -6.108
  180    HE2  LYS  24           HE2      LYS  24 144.447  -0.668  -6.388
  181    HE3  LYS  24           HE3      LYS  24 145.597  -0.806  -5.052
  182    HZ1  LYS  24           HZ1      LYS  24 145.785  -2.371  -7.578
  183    HZ2  LYS  24           HZ2      LYS  24 146.656  -1.029  -7.255
  184    HZ3  LYS  24           HZ3      LYS  24 146.898  -2.374  -6.365
  185    H    GLY  25           H        GLY  25 142.633  -0.552  -1.726
  186    HA2  GLY  25           HA2      GLY  25 142.866   2.328  -1.379
  187    HA3  GLY  25           HA3      GLY  25 143.747   1.091  -0.496
  188    HA   PRO  26           HA       PRO  26 146.535   3.256  -3.687
  189    HB2  PRO  26           HB2      PRO  26 147.834   5.134  -2.194
  190    HB3  PRO  26           HB3      PRO  26 146.215   5.424  -2.901
  191    HG2  PRO  26           HG2      PRO  26 146.874   4.494  -0.089
  192    HG3  PRO  26           HG3      PRO  26 145.815   5.859  -0.573
  193    HD2  PRO  26           HD2      PRO  26 144.781   3.412   0.014
  194    HD3  PRO  26           HD3      PRO  26 144.115   4.397  -1.318
  195    H    LYS  27           H        LYS  27 148.844   3.066  -3.865
  196    HA   LYS  27           HA       LYS  27 150.053   0.818  -2.621
  197    HB2  LYS  27           HB2      LYS  27 150.638   1.841  -4.849
  198    HB3  LYS  27           HB3      LYS  27 151.410   3.179  -3.985
  199    HG2  LYS  27           HG2      LYS  27 152.893   1.452  -2.866
  200    HG3  LYS  27           HG3      LYS  27 152.188   0.222  -3.894
  201    HD2  LYS  27           HD2      LYS  27 154.264   0.833  -4.878
  202    HD3  LYS  27           HD3      LYS  27 153.019   1.587  -5.895
  203    HE2  LYS  27           HE2      LYS  27 153.357   3.742  -4.703
  204    HE3  LYS  27           HE3      LYS  27 154.527   2.971  -3.618
  205    HZ1  LYS  27           HZ1      LYS  27 154.904   3.184  -6.566
  206    HZ2  LYS  27           HZ2      LYS  27 155.572   4.209  -5.481
  207    HZ3  LYS  27           HZ3      LYS  27 156.014   2.636  -5.476
  208    H    GLY  28           H        GLY  28 151.500   0.546  -0.969
  209    HA2  GLY  28           HA2      GLY  28 151.368   2.291   1.287
  210    HA3  GLY  28           HA3      GLY  28 152.416   0.887   1.129
  211    HA   PRO  29           HA       PRO  29 154.985   4.898   0.952
  212    HB2  PRO  29           HB2      PRO  29 155.722   5.274   3.552
  213    HB3  PRO  29           HB3      PRO  29 154.153   5.847   2.914
  214    HG2  PRO  29           HG2      PRO  29 154.714   3.267   4.415
  215    HG3  PRO  29           HG3      PRO  29 153.450   4.492   4.763
  216    HD2  PRO  29           HD2      PRO  29 152.924   2.245   3.305
  217    HD3  PRO  29           HD3      PRO  29 152.154   3.814   2.920
  218    H    LYS  30           H        LYS  30 157.343   5.041   1.278
  219    HA   LYS  30           HA       LYS  30 158.765   2.540   0.983
  220    HB2  LYS  30           HB2      LYS  30 159.673   5.414   1.401
  221    HB3  LYS  30           HB3      LYS  30 160.806   4.072   1.199
  222    HG2  LYS  30           HG2      LYS  30 159.936   3.545  -1.006
  223    HG3  LYS  30           HG3      LYS  30 158.632   4.719  -0.828
  224    HD2  LYS  30           HD2      LYS  30 160.347   5.662  -2.256
  225    HD3  LYS  30           HD3      LYS  30 160.229   6.569  -0.757
  226    HE2  LYS  30           HE2      LYS  30 162.532   6.405  -1.282
  227    HE3  LYS  30           HE3      LYS  30 162.262   5.366   0.115
  228    HZ1  LYS  30           HZ1      LYS  30 163.670   4.369  -1.664
  229    HZ2  LYS  30           HZ2      LYS  30 162.382   3.431  -1.341
  230    HZ3  LYS  30           HZ3      LYS  30 162.409   4.375  -2.696
  231    H    GLY  31           H        GLY  31 157.946   4.300   3.855
  232    HA2  GLY  31           HA2      GLY  31 158.518   2.332   5.693
  233    HA3  GLY  31           HA3      GLY  31 160.060   3.180   5.546
  234    HN1  NH2  32           HN1      NH2  32 158.602   5.875   5.156
  235    HN2  NH2  32           HN2      NH2  32 158.058   6.273   6.771
  236    H1   ACE  33           H1       ACE  33  78.667   0.225  -8.937
  237    H2   ACE  33           H2       ACE  33  80.373   0.427  -8.486
  238    H3   ACE  33           H3       ACE  33  79.629  -1.182  -8.417
  239    H    ASP  34           H        ASP  34  80.470   1.497  -6.594
  240    HA   ASP  34           HA       ASP  34  78.363   1.295  -4.584
  241    HB2  ASP  34           HB2      ASP  34  79.643   0.408  -2.819
  242    HB3  ASP  34           HB3      ASP  34  79.970  -0.654  -4.170
  243    HA   HYP  35           HA       HYP  35  79.335   5.433  -3.897
  244    HB2  HYP  35           HB2      HYP  35  79.070   5.263  -0.935
  245    HB3  HYP  35           HB3      HYP  35  78.072   6.163  -2.112
  246    HG   HYP  35           HG       HYP  35  77.210   3.882  -0.849
  247   HD22  HYP  35          HD22      HYP  35  78.947   2.441  -1.498
  248   HD23  HYP  35          HD23      HYP  35  77.760   2.115  -2.785
  249    HD1  HYP  35           HD1      HYP  35  76.778   4.371  -3.636
  250    H    GLY  36           H        GLY  36  81.418   3.417  -1.833
  251    HA2  GLY  36           HA2      GLY  36  82.789   5.620  -0.627
  252    HA3  GLY  36           HA3      GLY  36  83.168   3.938  -0.409
  253    H    ASP  37           H        ASP  37  84.929   6.115  -0.512
  254    HA   ASP  37           HA       ASP  37  86.470   6.090  -2.975
  255    HB2  ASP  37           HB2      ASP  37  86.618   7.588  -0.344
  256    HB3  ASP  37           HB3      ASP  37  87.871   7.695  -1.563
  257    HA   HYP  38           HA       HYP  38  89.788   3.255  -1.610
  258    HB2  HYP  38           HB2      HYP  38  91.552   5.273  -2.969
  259    HB3  HYP  38           HB3      HYP  38  91.543   3.497  -3.141
  260    HG   HYP  38           HG       HYP  38  90.485   5.161  -5.034
  261   HD22  HYP  38          HD22      HYP  38  88.967   6.396  -3.740
  262   HD23  HYP  38          HD23      HYP  38  87.889   5.050  -4.209
  263    HD1  HYP  38           HD1      HYP  38  89.139   3.446  -5.620
  264    H    GLY  39           H        GLY  39  91.509   3.201  -0.119
  265    HA2  GLY  39           HA2      GLY  39  91.918   5.472   1.701
  266    HA3  GLY  39           HA3      GLY  39  92.647   3.877   1.803
  267    H    ASP  40           H        ASP  40  94.223   5.974   2.407
  268    HA   ASP  40           HA       ASP  40  95.645   7.098   0.162
  269    HB2  ASP  40           HB2      ASP  40  95.950   7.128   3.179
  270    HB3  ASP  40           HB3      ASP  40  97.200   7.796   2.145
  271    HA   HYP  41           HA       HYP  41  98.823   4.052  -0.426
  272    HB2  HYP  41           HB2      HYP  41 101.031   5.784  -0.971
  273    HB3  HYP  41           HB3      HYP  41  99.913   5.023  -2.124
  274    HG   HYP  41           HG       HYP  41  99.980   7.817  -1.113
  275   HD22  HYP  41          HD22      HYP  41  97.895   7.969  -0.258
  276   HD23  HYP  41          HD23      HYP  41  97.192   6.958  -1.553
  277    HD1  HYP  41           HD1      HYP  41 100.075   7.413  -3.327
  278    H    GLY  42           H        GLY  42 100.668   3.106   0.512
  279    HA2  GLY  42           HA2      GLY  42 101.331   3.832   3.255
  280    HA3  GLY  42           HA3      GLY  42 102.004   2.515   2.317
  281    H    ASP  43           H        ASP  43 103.621   3.892   4.012
  282    HA   ASP  43           HA       ASP  43 105.050   6.053   2.731
  283    HB2  ASP  43           HB2      ASP  43 105.359   4.423   5.262
  284    HB3  ASP  43           HB3      ASP  43 106.646   5.498   4.734
  285    HA   HYP  44           HA       HYP  44 108.115   3.878   0.350
  286    HB2  HYP  44           HB2      HYP  44 110.203   5.643   1.596
  287    HB3  HYP  44           HB3      HYP  44 109.886   5.325  -0.131
  288    HG   HYP  44           HG       HYP  44 109.134   7.652   1.087
  289   HD22  HYP  44          HD22      HYP  44 107.869   6.803   2.875
  290   HD23  HYP  44          HD23      HYP  44 106.570   6.979   1.662
  291    HD1  HYP  44           HD1      HYP  44 107.490   7.804  -0.457
  292    H    GLY  45           H        GLY  45 109.629   2.229   0.488
  293    HA2  GLY  45           HA2      GLY  45 110.286   0.941   2.970
  294    HA3  GLY  45           HA3      GLY  45 110.993   0.618   1.401
  295    H    ASP  46           H        ASP  46 112.369   0.495   3.836
  296    HA   ASP  46           HA       ASP  46 113.974   2.820   4.325
  297    HB2  ASP  46           HB2      ASP  46 114.153  -0.123   5.071
  298    HB3  ASP  46           HB3      ASP  46 115.358   1.053   5.569
  299    HA   HYP  47           HA       HYP  47 117.145   2.454   1.174
  300    HB2  HYP  47           HB2      HYP  47 119.141   2.884   3.377
  301    HB3  HYP  47           HB3      HYP  47 119.000   3.728   1.811
  302    HG   HYP  47           HG       HYP  47 118.165   4.850   4.174
  303   HD22  HYP  47          HD22      HYP  47 116.662   3.234   4.944
  304   HD23  HYP  47          HD23      HYP  47 115.532   4.197   3.951
  305    HD1  HYP  47           HD1      HYP  47 117.871   5.936   2.217
  306    H    GLY  48           H        GLY  48 118.642   0.997   0.327
  307    HA2  GLY  48           HA2      GLY  48 118.962  -1.622   1.490
  308    HA3  GLY  48           HA3      GLY  48 119.850  -0.962   0.115
  309    H    ASP  49           H        ASP  49 121.052  -2.664   1.985
  310    HA   ASP  49           HA       ASP  49 122.563  -1.137   3.947
  311    HB2  ASP  49           HB2      ASP  49 122.625  -3.997   2.908
  312    HB3  ASP  49           HB3      ASP  49 123.693  -3.404   4.161
  313    HA   HYP  50           HA       HYP  50 125.883   0.163   1.440
  314    HB2  HYP  50           HB2      HYP  50 128.157  -0.410   3.066
  315    HB3  HYP  50           HB3      HYP  50 127.177   1.076   3.034
  316    HG   HYP  50           HG       HYP  50 127.095  -1.218   4.941
  317   HD22  HYP  50          HD22      HYP  50 124.835  -1.545   4.949
  318   HD23  HYP  50          HD23      HYP  50 124.473   0.161   4.556
  319    HD1  HYP  50           HD1      HYP  50 126.710   0.420   6.363
  320    H    GLY  51           H        GLY  51 127.557  -0.486   0.042
  321    HA2  GLY  51           HA2      GLY  51 127.868  -3.278  -0.632
  322    HA3  GLY  51           HA3      GLY  51 128.826  -1.946  -1.227
  323    H    ASP  52           H        ASP  52 129.931  -4.405  -0.812
  324    HA   ASP  52           HA       ASP  52 131.152  -4.751   1.733
  325    HB2  ASP  52           HB2      ASP  52 131.672  -5.857  -1.047
  326    HB3  ASP  52           HB3      ASP  52 132.593  -6.348   0.367
  327    HA   HYP  53           HA       HYP  53 134.575  -1.895   1.529
  328    HB2  HYP  53           HB2      HYP  53 136.258  -4.062   2.744
  329    HB3  HYP  53           HB3      HYP  53 136.050  -2.368   3.270
  330    HG   HYP  53           HG       HYP  53 134.829  -4.449   4.557
  331   HD22  HYP  53          HD22      HYP  53 133.698  -5.458   2.760
  332   HD23  HYP  53          HD23      HYP  53 132.430  -4.317   3.295
  333    HD1  HYP  53           HD1      HYP  53 133.175  -2.977   5.128
  334    H    GLY  54           H        GLY  54 136.394  -1.369   0.350
  335    HA2  GLY  54           HA2      GLY  54 137.264  -3.113  -1.844
  336    HA3  GLY  54           HA3      GLY  54 137.884  -1.516  -1.455
  337    H    ASP  55           H        ASP  55 139.491  -3.690  -2.183
  338    HA   ASP  55           HA       ASP  55 140.604  -4.977   0.161
  339    HB2  ASP  55           HB2      ASP  55 141.145  -5.042  -2.818
  340    HB3  ASP  55           HB3      ASP  55 142.185  -5.868  -1.676
  341    HA   HYP  56           HA       HYP  56 143.972  -2.293   1.216
  342    HB2  HYP  56           HB2      HYP  56 145.820  -4.654   1.062
  343    HB3  HYP  56           HB3      HYP  56 145.593  -3.493   2.397
  344    HG   HYP  56           HG       HYP  56 144.569  -6.033   2.449
  345   HD22  HYP  56          HD22      HYP  56 143.281  -6.044   0.500
  346   HD23  HYP  56          HD23      HYP  56 142.048  -5.404   1.621
  347    HD1  HYP  56           HD1      HYP  56 143.038  -5.257   3.895
  348    H    GLY  57           H        GLY  57 145.657  -1.117   0.311
  349    HA2  GLY  57           HA2      GLY  57 146.344  -1.342  -2.482
  350    HA3  GLY  57           HA3      GLY  57 147.131  -0.345  -1.289
  351    H    ASP  58           H        ASP  58 148.495  -1.541  -3.370
  352    HA   ASP  58           HA       ASP  58 149.817  -3.975  -2.614
  353    HB2  ASP  58           HB2      ASP  58 150.368  -1.771  -4.635
  354    HB3  ASP  58           HB3      ASP  58 151.379  -3.196  -4.465
  355    HA   HYP  59           HA       HYP  59 152.840  -2.471   0.278
  356    HB2  HYP  59           HB2      HYP  59 154.916  -4.040  -1.217
  357    HB3  HYP  59           HB3      HYP  59 154.540  -4.045   0.527
  358    HG   HYP  59           HG       HYP  59 153.752  -6.047  -1.183
  359   HD22  HYP  59          HD22      HYP  59 152.453  -4.890  -2.736
  360   HD23  HYP  59          HD23      HYP  59 151.180  -5.137  -1.506
  361    HD1  HYP  59           HD1      HYP  59 152.110  -6.476   0.310
  362    H    GLY  60           H        GLY  60 154.473  -0.941   0.553
  363    HA2  GLY  60           HA2      GLY  60 155.284   0.846  -1.541
  364    HA3  GLY  60           HA3      GLY  60 155.987   0.732   0.048
  365    H    ASP  61           H        ASP  61 157.380   1.330  -2.302
  366    HA   ASP  61           HA       ASP  61 159.040  -0.889  -3.141
  367    HB2  ASP  61           HB2      ASP  61 159.289   2.150  -3.267
  368    HB3  ASP  61           HB3      ASP  61 160.428   1.038  -3.999
  369    HA   HYP  62           HA       HYP  62 161.853  -1.303   0.195
  370    HB2  HYP  62           HB2      HYP  62 164.133  -0.622  -1.664
  371    HB3  HYP  62           HB3      HYP  62 163.998  -1.969  -0.495
  372    HG   HYP  62           HG       HYP  62 163.567  -2.363  -3.145
  373   HD22  HYP  62          HD22      HYP  62 162.001  -0.681  -3.601
  374   HD23  HYP  62          HD23      HYP  62 160.866  -1.992  -3.175
  375    HD1  HYP  62           HD1      HYP  62 162.145  -4.023  -2.573
  376    H    GLY  63           H        GLY  63 162.850  -0.216   1.832
  377    HA2  GLY  63           HA2      GLY  63 163.038   2.724   1.749
  378    HA3  GLY  63           HA3      GLY  63 163.133   1.671   3.154
  379    HN1  NH2  64           HN1      NH2  64 164.936   3.090   3.817
  380    HN2  NH2  64           HN2      NH2  64 166.531   2.795   3.155
  381    H1   ACE  65           H1       ACE  65  89.191  -4.023   3.241
  382    H2   ACE  65           H2       ACE  65  88.674  -4.524   4.868
  383    H3   ACE  65           H3       ACE  65  88.413  -5.602   3.485
  384    HA   PRO  66           HA       PRO  66  84.857  -2.358   4.206
  385    HB2  PRO  66           HB2      PRO  66  86.220   0.209   3.431
  386    HB3  PRO  66           HB3      PRO  66  85.011  -0.081   4.713
  387    HG2  PRO  66           HG2      PRO  66  87.620   0.250   5.341
  388    HG3  PRO  66           HG3      PRO  66  86.644  -1.007   6.165
  389    HD2  PRO  66           HD2      PRO  66  88.555  -1.362   3.837
  390    HD3  PRO  66           HD3      PRO  66  88.416  -2.318   5.343
  391    HA   HYP  67           HA       HYP  67  83.516  -2.050  -0.068
  392    HB2  HYP  67           HB2      HYP  67  82.206   0.585   0.582
  393    HB3  HYP  67           HB3      HYP  67  81.527  -0.830  -0.265
  394    HG   HYP  67           HG       HYP  67  80.941  -0.300   2.352
  395   HD22  HYP  67          HD22      HYP  67  83.086  -0.134   3.270
  396   HD23  HYP  67          HD23      HYP  67  82.835  -1.888   3.496
  397    HD1  HYP  67           HD1      HYP  67  80.198  -2.196   1.348
  398    H    GLY  68           H        GLY  68  84.572   1.165   1.196
  399    HA2  GLY  68           HA2      GLY  68  85.984   1.960  -1.238
  400    HA3  GLY  68           HA3      GLY  68  86.111   2.687   0.362
  401    HA   PRO  69           HA       PRO  69  88.853  -1.225  -0.207
  402    HB2  PRO  69           HB2      PRO  69  90.737  -1.036  -2.206
  403    HB3  PRO  69           HB3      PRO  69  89.058  -1.601  -2.461
  404    HG2  PRO  69           HG2      PRO  69  90.158   1.198  -2.871
  405    HG3  PRO  69           HG3      PRO  69  89.179   0.221  -4.013
  406    HD2  PRO  69           HD2      PRO  69  88.015   2.081  -2.416
  407    HD3  PRO  69           HD3      PRO  69  87.213   0.513  -2.720
  408    HA   HYP  70           HA       HYP  70  92.467   0.284   2.138
  409    HB2  HYP  70           HB2      HYP  70  93.828  -2.120   0.971
  410    HB3  HYP  70           HB3      HYP  70  93.793  -1.566   2.666
  411    HG   HYP  70           HG       HYP  70  92.268  -3.665   1.758
  412   HD22  HYP  70          HD22      HYP  70  91.056  -2.664   0.036
  413   HD23  HYP  70          HD23      HYP  70  89.965  -2.251   1.391
  414    HD1  HYP  70           HD1      HYP  70  92.128  -2.960   3.899
  415    H    GLY  71           H        GLY  71  94.244   1.532   1.690
  416    HA2  GLY  71           HA2      GLY  71  94.635   2.431  -0.990
  417    HA3  GLY  71           HA3      GLY  71  95.595   2.896   0.408
  418    HA   PRO  72           HA       PRO  72  97.895   0.063  -2.651
  419    HB2  PRO  72           HB2      PRO  72  99.655   2.161  -3.561
  420    HB3  PRO  72           HB3      PRO  72  98.457   1.221  -4.484
  421    HG2  PRO  72           HG2      PRO  72  98.279   3.985  -3.636
  422    HG3  PRO  72           HG3      PRO  72  97.084   3.026  -4.549
  423    HD2  PRO  72           HD2      PRO  72  97.003   3.827  -1.754
  424    HD3  PRO  72           HD3      PRO  72  95.753   3.018  -2.735
  425    HA   HYP  73           HA       HYP  73 101.406  -0.287   0.267
  426    HB2  HYP  73           HB2      HYP  73 102.804  -1.443  -2.126
  427    HB3  HYP  73           HB3      HYP  73 102.722  -2.081  -0.463
  428    HG   HYP  73           HG       HYP  73 101.238  -3.125  -2.523
  429   HD22  HYP  73          HD22      HYP  73 100.090  -1.230  -3.269
  430   HD23  HYP  73          HD23      HYP  73  98.938  -1.764  -2.009
  431    HD1  HYP  73           HD1      HYP  73 101.016  -3.922  -0.420
  432    H    GLY  74           H        GLY  74 103.355   0.819   0.651
  433    HA2  GLY  74           HA2      GLY  74 104.006   3.128  -0.974
  434    HA3  GLY  74           HA3      GLY  74 104.925   2.523   0.398
  435    HA   PRO  75           HA       PRO  75 106.935   1.478  -3.782
  436    HB2  PRO  75           HB2      PRO  75 108.777   3.476  -4.157
  437    HB3  PRO  75           HB3      PRO  75 107.063   3.610  -4.653
  438    HG2  PRO  75           HG2      PRO  75 108.342   4.619  -2.093
  439    HG3  PRO  75           HG3      PRO  75 107.288   5.522  -3.229
  440    HD2  PRO  75           HD2      PRO  75 106.289   4.363  -0.974
  441    HD3  PRO  75           HD3      PRO  75 105.359   4.372  -2.502
  442    HA   HYP  76           HA       HYP  76 110.585  -0.432  -1.867
  443    HB2  HYP  76           HB2      HYP  76 112.040   0.252  -4.398
  444    HB3  HYP  76           HB3      HYP  76 111.956  -1.309  -3.543
  445    HG   HYP  76           HG       HYP  76 110.531  -0.788  -5.825
  446   HD22  HYP  76          HD22      HYP  76 109.312   1.105  -5.201
  447   HD23  HYP  76          HD23      HYP  76 108.180  -0.140  -4.601
  448    HD1  HYP  76           HD1      HYP  76 109.055  -2.350  -5.110
  449    H    GLY  77           H        GLY  77 112.448   0.170  -0.765
  450    HA2  GLY  77           HA2      GLY  77 113.221   2.974  -0.609
  451    HA3  GLY  77           HA3      GLY  77 114.032   1.617   0.164
  452    HA   PRO  78           HA       PRO  78 116.325   3.214  -3.693
  453    HB2  PRO  78           HB2      PRO  78 118.306   4.790  -2.620
  454    HB3  PRO  78           HB3      PRO  78 116.666   5.392  -3.007
  455    HG2  PRO  78           HG2      PRO  78 117.710   4.425  -0.326
  456    HG3  PRO  78           HG3      PRO  78 116.833   5.949  -0.683
  457    HD2  PRO  78           HD2      PRO  78 115.529   3.762   0.272
  458    HD3  PRO  78           HD3      PRO  78 114.781   4.808  -0.970
  459    HA   HYP  79           HA       HYP  79 119.706   0.209  -3.306
  460    HB2  HYP  79           HB2      HYP  79 121.391   2.251  -4.726
  461    HB3  HYP  79           HB3      HYP  79 121.200   0.514  -5.082
  462    HG   HYP  79           HG       HYP  79 119.971   2.479  -6.558
  463   HD22  HYP  79          HD22      HYP  79 118.763   3.612  -4.917
  464   HD23  HYP  79          HD23      HYP  79 117.549   2.361  -5.310
  465    HD1  HYP  79           HD1      HYP  79 119.645   0.283  -7.007
  466    H    GLY  80           H        GLY  80 121.407  -0.159  -1.895
  467    HA2  GLY  80           HA2      GLY  80 121.941   1.716   0.184
  468    HA3  GLY  80           HA3      GLY  80 122.818   0.215  -0.092
  469    HA   PRO  81           HA       PRO  81 125.405   4.046  -1.195
  470    HB2  PRO  81           HB2      PRO  81 127.042   3.859   1.182
  471    HB3  PRO  81           HB3      PRO  81 125.996   5.196   0.641
  472    HG2  PRO  81           HG2      PRO  81 125.518   3.386   2.826
  473    HG3  PRO  81           HG3      PRO  81 124.418   4.628   2.168
  474    HD2  PRO  81           HD2      PRO  81 124.328   1.715   1.799
  475    HD3  PRO  81           HD3      PRO  81 123.079   2.950   1.491
  476    HA   HYP  82           HA       HYP  82 128.814   1.395  -2.623
  477    HB2  HYP  82           HB2      HYP  82 130.588   3.755  -2.072
  478    HB3  HYP  82           HB3      HYP  82 130.479   2.751  -3.543
  479    HG   HYP  82           HG       HYP  82 129.382   5.263  -3.379
  480   HD22  HYP  82          HD22      HYP  82 127.977   5.029  -1.527
  481   HD23  HYP  82          HD23      HYP  82 126.846   4.488  -2.802
  482    HD1  HYP  82           HD1      HYP  82 129.127   4.057  -5.253
  483    H    GLY  83           H        GLY  83 130.453   0.127  -1.707
  484    HA2  GLY  83           HA2      GLY  83 130.799   0.086   1.143
  485    HA3  GLY  83           HA3      GLY  83 131.767  -0.809  -0.027
  486    HA   PRO  84           HA       PRO  84 134.078   2.936   1.769
  487    HB2  PRO  84           HB2      PRO  84 135.632   1.339   3.601
  488    HB3  PRO  84           HB3      PRO  84 134.624   2.770   3.933
  489    HG2  PRO  84           HG2      PRO  84 134.034   0.051   4.608
  490    HG3  PRO  84           HG3      PRO  84 132.910   1.432   4.623
  491    HD2  PRO  84           HD2      PRO  84 133.072  -0.742   2.648
  492    HD3  PRO  84           HD3      PRO  84 131.744   0.381   3.021
  493    HA   HYP  85           HA       HYP  85 137.579   1.888  -0.954
  494    HB2  HYP  85           HB2      HYP  85 138.978   3.989   0.676
  495    HB3  HYP  85           HB3      HYP  85 138.909   3.813  -1.096
  496    HG   HYP  85           HG       HYP  85 137.426   5.675   0.278
  497   HD22  HYP  85          HD22      HYP  85 136.222   4.333   1.751
  498   HD23  HYP  85          HD23      HYP  85 135.120   4.246   0.341
  499    HD1  HYP  85           HD1      HYP  85 137.208   5.526  -1.945
  500    H    GLY  86           H        GLY  86 139.427   0.607  -0.754
  501    HA2  GLY  86           HA2      GLY  86 139.971  -0.710   1.748
  502    HA3  GLY  86           HA3      GLY  86 140.937  -0.830   0.282
  503    HA   PRO  87           HA       PRO  87 143.003   1.906   3.593
  504    HB2  PRO  87           HB2      PRO  87 144.698   0.178   4.890
  505    HB3  PRO  87           HB3      PRO  87 142.995   0.436   5.376
  506    HG2  PRO  87           HG2      PRO  87 144.121  -1.768   3.624
  507    HG3  PRO  87           HG3      PRO  87 143.022  -1.931   5.032
  508    HD2  PRO  87           HD2      PRO  87 142.075  -1.909   2.476
  509    HD3  PRO  87           HD3      PRO  87 141.177  -1.117   3.804
  510    HA   HYP  88           HA       HYP  88 146.772   2.333   1.074
  511    HB2  HYP  88           HB2      HYP  88 148.159   2.852   3.683
  512    HB3  HYP  88           HB3      HYP  88 148.235   3.790   2.167
  513    HG   HYP  88           HG       HYP  88 146.772   4.606   4.335
  514   HD22  HYP  88          HD22      HYP  88 145.380   2.756   4.670
  515   HD23  HYP  88          HD23      HYP  88 144.355   3.639   3.502
  516    HD1  HYP  88           HD1      HYP  88 145.456   5.731   2.876
  517    H    GLY  89           H        GLY  89 148.483   0.986   0.496
  518    HA2  GLY  89           HA2      GLY  89 148.534  -1.659   1.530
  519    HA3  GLY  89           HA3      GLY  89 149.744  -0.970   0.445
  520    HA   PRO  90           HA       PRO  90 151.417  -1.683   4.784
  521    HB2  PRO  90           HB2      PRO  90 153.080  -3.885   3.919
  522    HB3  PRO  90           HB3      PRO  90 151.869  -3.837   5.229
  523    HG2  PRO  90           HG2      PRO  90 151.575  -5.190   2.759
  524    HG3  PRO  90           HG3      PRO  90 150.263  -4.710   3.852
  525    HD2  PRO  90           HD2      PRO  90 151.100  -3.386   1.323
  526    HD3  PRO  90           HD3      PRO  90 149.497  -3.488   2.101
  527    HA   HYP  91           HA       HYP  91 155.000   0.764   3.654
  528    HB2  HYP  91           HB2      HYP  91 156.402  -0.481   6.000
  529    HB3  HYP  91           HB3      HYP  91 156.244   1.244   5.568
  530    HG   HYP  91           HG       HYP  91 154.758   0.058   7.558
  531   HD22  HYP  91          HD22      HYP  91 153.653  -1.633   6.398
  532   HD23  HYP  91          HD23      HYP  91 152.519  -0.286   6.078
  533    HD1  HYP  91           HD1      HYP  91 154.444   2.223   7.114
  534    H    GLY  92           H        GLY  92 156.928   0.502   2.507
  535    HA2  GLY  92           HA2      GLY  92 157.416  -2.002   1.310
  536    HA3  GLY  92           HA3      GLY  92 158.468  -0.596   1.182
  537    HA   PRO  93           HA       PRO  93 160.412  -4.285   3.626
  538    HB2  PRO  93           HB2      PRO  93 162.137  -4.169   1.136
  539    HB3  PRO  93           HB3      PRO  93 161.782  -5.577   2.189
  540    HG2  PRO  93           HG2      PRO  93 160.431  -5.269  -0.128
  541    HG3  PRO  93           HG3      PRO  93 159.538  -5.715   1.363
  542    HD2  PRO  93           HD2      PRO  93 159.785  -2.989   0.070
  543    HD3  PRO  93           HD3      PRO  93 158.347  -3.803   0.762
  544    HA   HYP  94           HA       HYP  94 163.232  -1.502   5.520
  545    HB2  HYP  94           HB2      HYP  94 165.253  -3.746   5.606
  546    HB3  HYP  94           HB3      HYP  94 164.762  -2.631   6.912
  547    HG   HYP  94           HG       HYP  94 163.776  -5.165   6.765
  548   HD22  HYP  94          HD22      HYP  94 162.991  -5.233   4.564
  549   HD23  HYP  94          HD23      HYP  94 161.513  -4.623   5.359
  550    HD1  HYP  94           HD1      HYP  94 162.972  -3.682   8.291
  551    H    GLY  95           H        GLY  95 164.704  -3.332   2.839
  552    HA2  GLY  95           HA2      GLY  95 165.619  -1.090   1.432
  553    HA3  GLY  95           HA3      GLY  95 166.995  -1.662   2.379
  554    HN1  NH2  96           HN1      NH2  96 167.551  -1.742  -0.161
  555    HN2  NH2  96           HN2      NH2  96 167.356  -3.336  -0.865
  Start of MODEL    7
    1    H1   ACE   1           H1       ACE   1  71.687   9.947   0.891
    2    H2   ACE   1           H2       ACE   1  73.441  10.244   0.959
    3    H3   ACE   1           H3       ACE   1  72.576   9.675   2.404
    4    HA   PRO   2           HA       PRO   2  72.473   5.835  -0.432
    5    HB2  PRO   2           HB2      PRO   2  73.006   5.914  -3.095
    6    HB3  PRO   2           HB3      PRO   2  71.517   6.615  -2.412
    7    HG2  PRO   2           HG2      PRO   2  74.107   8.084  -3.038
    8    HG3  PRO   2           HG3      PRO   2  72.453   8.483  -3.610
    9    HD2  PRO   2           HD2      PRO   2  73.533   9.660  -1.400
   10    HD3  PRO   2           HD3      PRO   2  71.796   9.242  -1.479
   11    H    LYS   3           H        LYS   3  74.680   6.515   1.060
   12    HA   LYS   3           HA       LYS   3  77.023   5.245  -0.297
   13    HB2  LYS   3           HB2      LYS   3  78.502   6.980   0.351
   14    HB3  LYS   3           HB3      LYS   3  77.149   7.738  -0.478
   15    HG2  LYS   3           HG2      LYS   3  76.149   8.325   1.762
   16    HG3  LYS   3           HG3      LYS   3  77.582   7.655   2.548
   17    HD2  LYS   3           HD2      LYS   3  77.523  10.022   0.631
   18    HD3  LYS   3           HD3      LYS   3  77.702  10.092   2.390
   19    HE2  LYS   3           HE2      LYS   3  79.833   8.767   2.193
   20    HE3  LYS   3           HE3      LYS   3  79.673   8.826   0.431
   21    HZ1  LYS   3           HZ1      LYS   3  79.972  11.195   2.204
   22    HZ2  LYS   3           HZ2      LYS   3  81.121  10.593   1.214
   23    HZ3  LYS   3           HZ3      LYS   3  79.778  11.269   0.580
   24    H    GLY   4           H        GLY   4  78.895   5.076   1.341
   25    HA2  GLY   4           HA2      GLY   4  78.217   4.256   4.067
   26    HA3  GLY   4           HA3      GLY   4  78.452   2.922   2.936
   27    HA   PRO   5           HA       PRO   5  82.350   4.353   5.041
   28    HB2  PRO   5           HB2      PRO   5  83.281   1.900   5.945
   29    HB3  PRO   5           HB3      PRO   5  82.147   2.974   6.811
   30    HG2  PRO   5           HG2      PRO   5  81.500   0.553   5.133
   31    HG3  PRO   5           HG3      PRO   5  80.802   1.040   6.700
   32    HD2  PRO   5           HD2      PRO   5  79.563   1.495   4.305
   33    HD3  PRO   5           HD3      PRO   5  79.407   2.626   5.683
   34    H    LYS   6           H        LYS   6  83.781   4.973   3.587
   35    HA   LYS   6           HA       LYS   6  84.881   3.469   1.405
   36    HB2  LYS   6           HB2      LYS   6  84.952   5.971   1.578
   37    HB3  LYS   6           HB3      LYS   6  85.998   5.836   2.992
   38    HG2  LYS   6           HG2      LYS   6  87.761   4.797   1.629
   39    HG3  LYS   6           HG3      LYS   6  86.724   4.855   0.197
   40    HD2  LYS   6           HD2      LYS   6  86.797   7.281   0.173
   41    HD3  LYS   6           HD3      LYS   6  87.593   7.319   1.767
   42    HE2  LYS   6           HE2      LYS   6  89.528   6.086   0.846
   43    HE3  LYS   6           HE3      LYS   6  88.773   6.053  -0.754
   44    HZ1  LYS   6           HZ1      LYS   6  89.473   8.562   0.683
   45    HZ2  LYS   6           HZ2      LYS   6  90.459   7.842  -0.399
   46    HZ3  LYS   6           HZ3      LYS   6  88.997   8.435  -0.883
   47    H    GLY   7           H        GLY   7  86.746   2.277   1.199
   48    HA2  GLY   7           HA2      GLY   7  87.625   0.725   3.445
   49    HA3  GLY   7           HA3      GLY   7  88.313   0.698   1.824
   50    HA   PRO   8           HA       PRO   8  91.070   2.988   4.971
   51    HB2  PRO   8           HB2      PRO   8  92.753   1.071   5.946
   52    HB3  PRO   8           HB3      PRO   8  91.113   1.348   6.611
   53    HG2  PRO   8           HG2      PRO   8  91.951  -0.700   4.531
   54    HG3  PRO   8           HG3      PRO   8  91.026  -0.987   6.043
   55    HD2  PRO   8           HD2      PRO   8  89.748  -0.663   3.667
   56    HD3  PRO   8           HD3      PRO   8  89.091   0.053   5.165
   57    H    LYS   9           H        LYS   9  93.233   3.635   4.749
   58    HA   LYS   9           HA       LYS   9  94.514   3.490   2.195
   59    HB2  LYS   9           HB2      LYS   9  94.770   5.350   3.846
   60    HB3  LYS   9           HB3      LYS   9  95.597   4.250   4.954
   61    HG2  LYS   9           HG2      LYS   9  97.457   3.997   3.449
   62    HG3  LYS   9           HG3      LYS   9  96.619   4.887   2.156
   63    HD2  LYS   9           HD2      LYS   9  96.701   6.951   3.468
   64    HD3  LYS   9           HD3      LYS   9  97.379   6.077   4.862
   65    HE2  LYS   9           HE2      LYS   9  99.367   5.464   3.516
   66    HE3  LYS   9           HE3      LYS   9  98.723   6.357   2.129
   67    HZ1  LYS   9           HZ1      LYS   9  99.313   7.611   4.762
   68    HZ2  LYS   9           HZ2      LYS   9 100.381   7.581   3.537
   69    HZ3  LYS   9           HZ3      LYS   9  98.956   8.401   3.367
   70    H    GLY  10           H        GLY  10  96.124   2.231   1.381
   71    HA2  GLY  10           HA2      GLY  10  96.356  -0.450   2.298
   72    HA3  GLY  10           HA3      GLY  10  97.283   0.284   0.996
   73    HA   PRO  11           HA       PRO  11  99.901  -0.701   4.831
   74    HB2  PRO  11           HB2      PRO  11 101.271  -2.932   4.017
   75    HB3  PRO  11           HB3      PRO  11  99.640  -2.991   4.751
   76    HG2  PRO  11           HG2      PRO  11 100.354  -3.013   1.804
   77    HG3  PRO  11           HG3      PRO  11  99.257  -4.130   2.680
   78    HD2  PRO  11           HD2      PRO  11  98.286  -1.995   1.305
   79    HD3  PRO  11           HD3      PRO  11  97.577  -2.476   2.873
   80    H    LYS  12           H        LYS  12 102.049  -0.227   5.150
   81    HA   LYS  12           HA       LYS  12 103.465   1.417   3.316
   82    HB2  LYS  12           HB2      LYS  12 103.669   1.465   5.806
   83    HB3  LYS  12           HB3      LYS  12 104.399  -0.138   5.785
   84    HG2  LYS  12           HG2      LYS  12 106.395   0.663   4.727
   85    HG3  LYS  12           HG3      LYS  12 105.658   2.238   4.359
   86    HD2  LYS  12           HD2      LYS  12 105.552   2.848   6.676
   87    HD3  LYS  12           HD3      LYS  12 106.001   1.231   7.224
   88    HE2  LYS  12           HE2      LYS  12 107.864   2.867   5.460
   89    HE3  LYS  12           HE3      LYS  12 107.782   3.158   7.200
   90    HZ1  LYS  12           HZ1      LYS  12 108.423   0.506   6.018
   91    HZ2  LYS  12           HZ2      LYS  12 109.528   1.550   6.635
   92    HZ3  LYS  12           HZ3      LYS  12 108.407   0.877   7.614
   93    H    GLY  13           H        GLY  13 105.134   1.103   1.918
   94    HA2  GLY  13           HA2      GLY  13 105.239  -1.386   0.544
   95    HA3  GLY  13           HA3      GLY  13 106.225   0.034   0.213
   96    HA   PRO  14           HA       PRO  14 108.725  -3.532   2.067
   97    HB2  PRO  14           HB2      PRO  14 109.915  -4.642  -0.117
   98    HB3  PRO  14           HB3      PRO  14 108.234  -5.036   0.360
   99    HG2  PRO  14           HG2      PRO  14 109.157  -3.014  -1.700
  100    HG3  PRO  14           HG3      PRO  14 107.922  -4.300  -1.900
  101    HD2  PRO  14           HD2      PRO  14 107.250  -1.721  -1.288
  102    HD3  PRO  14           HD3      PRO  14 106.342  -3.111  -0.620
  103    H    LYS  15           H        LYS  15 110.952  -3.604   2.453
  104    HA   LYS  15           HA       LYS  15 112.478  -1.204   2.198
  105    HB2  LYS  15           HB2      LYS  15 112.716  -2.935   3.986
  106    HB3  LYS  15           HB3      LYS  15 113.397  -4.056   2.799
  107    HG2  LYS  15           HG2      LYS  15 115.317  -2.597   2.451
  108    HG3  LYS  15           HG3      LYS  15 114.612  -1.343   3.494
  109    HD2  LYS  15           HD2      LYS  15 114.760  -2.830   5.442
  110    HD3  LYS  15           HD3      LYS  15 115.361  -4.154   4.417
  111    HE2  LYS  15           HE2      LYS  15 117.340  -2.809   3.812
  112    HE3  LYS  15           HE3      LYS  15 116.760  -1.463   4.805
  113    HZ1  LYS  15           HZ1      LYS  15 117.417  -4.164   5.865
  114    HZ2  LYS  15           HZ2      LYS  15 118.440  -2.901   5.903
  115    HZ3  LYS  15           HZ3      LYS  15 117.033  -2.845   6.769
  116    H    GLY  16           H        GLY  16 113.994  -0.531   0.753
  117    HA2  GLY  16           HA2      GLY  16 113.876  -1.424  -1.935
  118    HA3  GLY  16           HA3      GLY  16 115.024  -0.257  -1.287
  119    HA   PRO  17           HA       PRO  17 117.113  -4.349  -2.479
  120    HB2  PRO  17           HB2      PRO  17 118.237  -3.755  -4.898
  121    HB3  PRO  17           HB3      PRO  17 116.543  -4.306  -4.720
  122    HG2  PRO  17           HG2      PRO  17 117.556  -1.462  -4.982
  123    HG3  PRO  17           HG3      PRO  17 116.224  -2.247  -5.889
  124    HD2  PRO  17           HD2      PRO  17 115.765  -0.684  -3.693
  125    HD3  PRO  17           HD3      PRO  17 114.770  -2.131  -4.042
  126    H    LYS  18           H        LYS  18 119.286  -4.811  -2.203
  127    HA   LYS  18           HA       LYS  18 120.951  -3.041  -0.767
  128    HB2  LYS  18           HB2      LYS  18 121.000  -5.554  -0.766
  129    HB3  LYS  18           HB3      LYS  18 121.725  -5.506  -2.380
  130    HG2  LYS  18           HG2      LYS  18 123.611  -4.142  -1.356
  131    HG3  LYS  18           HG3      LYS  18 122.898  -4.428   0.223
  132    HD2  LYS  18           HD2      LYS  18 124.698  -5.974  -0.074
  133    HD3  LYS  18           HD3      LYS  18 123.195  -6.911  -0.186
  134    HE2  LYS  18           HE2      LYS  18 123.342  -6.870  -2.655
  135    HE3  LYS  18           HE3      LYS  18 124.768  -5.818  -2.573
  136    HZ1  LYS  18           HZ1      LYS  18 124.683  -8.581  -1.456
  137    HZ2  LYS  18           HZ2      LYS  18 125.306  -8.207  -2.918
  138    HZ3  LYS  18           HZ3      LYS  18 126.016  -7.620  -1.573
  139    H    GLY  19           H        GLY  19 122.737  -1.816  -1.235
  140    HA2  GLY  19           HA2      GLY  19 122.928  -0.554  -3.832
  141    HA3  GLY  19           HA3      GLY  19 123.948  -0.255  -2.433
  142    HA   PRO  20           HA       PRO  20 126.291  -2.548  -5.830
  143    HB2  PRO  20           HB2      PRO  20 127.777  -0.563  -6.951
  144    HB3  PRO  20           HB3      PRO  20 126.054  -0.814  -7.364
  145    HG2  PRO  20           HG2      PRO  20 127.214   1.151  -5.361
  146    HG3  PRO  20           HG3      PRO  20 126.039   1.480  -6.674
  147    HD2  PRO  20           HD2      PRO  20 125.239   1.012  -4.100
  148    HD3  PRO  20           HD3      PRO  20 124.284   0.448  -5.501
  149    H    LYS  21           H        LYS  21 128.406  -3.314  -5.772
  150    HA   LYS  21           HA       LYS  21 129.877  -3.286  -3.351
  151    HB2  LYS  21           HB2      LYS  21 129.912  -5.084  -5.087
  152    HB3  LYS  21           HB3      LYS  21 130.767  -4.000  -6.187
  153    HG2  LYS  21           HG2      LYS  21 132.703  -3.936  -4.692
  154    HG3  LYS  21           HG3      LYS  21 131.852  -4.920  -3.486
  155    HD2  LYS  21           HD2      LYS  21 131.819  -6.831  -4.997
  156    HD3  LYS  21           HD3      LYS  21 132.452  -5.840  -6.333
  157    HE2  LYS  21           HE2      LYS  21 134.525  -5.413  -5.061
  158    HE3  LYS  21           HE3      LYS  21 133.930  -6.400  -3.717
  159    HZ1  LYS  21           HZ1      LYS  21 134.335  -7.456  -6.470
  160    HZ2  LYS  21           HZ2      LYS  21 135.468  -7.547  -5.301
  161    HZ3  LYS  21           HZ3      LYS  21 134.030  -8.339  -5.121
  162    H    GLY  22           H        GLY  22 131.716  -2.317  -2.627
  163    HA2  GLY  22           HA2      GLY  22 132.271   0.381  -3.506
  164    HA3  GLY  22           HA3      GLY  22 133.094  -0.496  -2.222
  165    HA   PRO  23           HA       PRO  23 135.841  -0.153  -6.079
  166    HB2  PRO  23           HB2      PRO  23 137.362   2.054  -5.594
  167    HB3  PRO  23           HB3      PRO  23 135.723   2.154  -6.305
  168    HG2  PRO  23           HG2      PRO  23 136.507   2.514  -3.393
  169    HG3  PRO  23           HG3      PRO  23 135.489   3.590  -4.405
  170    HD2  PRO  23           HD2      PRO  23 134.401   1.718  -2.733
  171    HD3  PRO  23           HD3      PRO  23 133.661   2.114  -4.311
  172    H    LYS  24           H        LYS  24 138.020  -0.764  -6.230
  173    HA   LYS  24           HA       LYS  24 139.179  -2.281  -4.118
  174    HB2  LYS  24           HB2      LYS  24 139.521  -2.630  -6.570
  175    HB3  LYS  24           HB3      LYS  24 140.436  -1.122  -6.644
  176    HG2  LYS  24           HG2      LYS  24 142.164  -2.092  -5.147
  177    HG3  LYS  24           HG3      LYS  24 141.242  -3.606  -5.059
  178    HD2  LYS  24           HD2      LYS  24 141.546  -3.980  -7.461
  179    HD3  LYS  24           HD3      LYS  24 142.212  -2.357  -7.663
  180    HE2  LYS  24           HE2      LYS  24 144.065  -3.791  -7.745
  181    HE3  LYS  24           HE3      LYS  24 144.141  -2.976  -6.184
  182    HZ1  LYS  24           HZ1      LYS  24 143.100  -5.738  -6.599
  183    HZ2  LYS  24           HZ2      LYS  24 144.616  -5.367  -6.099
  184    HZ3  LYS  24           HZ3      LYS  24 143.328  -5.008  -5.132
  185    H    GLY  25           H        GLY  25 140.886  -1.952  -2.741
  186    HA2  GLY  25           HA2      GLY  25 141.357   0.724  -1.753
  187    HA3  GLY  25           HA3      GLY  25 142.134  -0.749  -1.192
  188    HA   PRO  26           HA       PRO  26 145.059   1.934  -3.805
  189    HB2  PRO  26           HB2      PRO  26 146.425   3.406  -1.964
  190    HB3  PRO  26           HB3      PRO  26 144.802   3.877  -2.555
  191    HG2  PRO  26           HG2      PRO  26 145.481   2.336  -0.031
  192    HG3  PRO  26           HG3      PRO  26 144.452   3.799  -0.179
  193    HD2  PRO  26           HD2      PRO  26 143.366   1.300  -0.128
  194    HD3  PRO  26           HD3      PRO  26 142.698   2.578  -1.181
  195    H    LYS  27           H        LYS  27 147.356   1.761  -4.052
  196    HA   LYS  27           HA       LYS  27 148.549  -0.731  -3.415
  197    HB2  LYS  27           HB2      LYS  27 149.140   0.753  -5.338
  198    HB3  LYS  27           HB3      LYS  27 149.862   1.909  -4.213
  199    HG2  LYS  27           HG2      LYS  27 151.556   0.252  -3.550
  200    HG3  LYS  27           HG3      LYS  27 150.797  -0.973  -4.586
  201    HD2  LYS  27           HD2      LYS  27 151.338   0.315  -6.586
  202    HD3  LYS  27           HD3      LYS  27 151.918   1.679  -5.601
  203    HE2  LYS  27           HE2      LYS  27 153.696   0.246  -4.644
  204    HE3  LYS  27           HE3      LYS  27 153.140  -1.121  -5.623
  205    HZ1  LYS  27           HZ1      LYS  27 154.157   1.447  -6.737
  206    HZ2  LYS  27           HZ2      LYS  27 155.038   0.074  -6.616
  207    HZ3  LYS  27           HZ3      LYS  27 153.732   0.128  -7.613
  208    H    GLY  28           H        GLY  28 150.014  -1.426  -1.926
  209    HA2  GLY  28           HA2      GLY  28 149.986  -0.290   0.684
  210    HA3  GLY  28           HA3      GLY  28 151.009  -1.622   0.154
  211    HA   PRO  29           HA       PRO  29 153.214   2.518   0.902
  212    HB2  PRO  29           HB2      PRO  29 154.284   2.257   3.424
  213    HB3  PRO  29           HB3      PRO  29 152.623   2.830   3.092
  214    HG2  PRO  29           HG2      PRO  29 153.521   0.035   3.819
  215    HG3  PRO  29           HG3      PRO  29 152.177   0.981   4.532
  216    HD2  PRO  29           HD2      PRO  29 151.716  -0.872   2.592
  217    HD3  PRO  29           HD3      PRO  29 150.816   0.671   2.630
  218    H    LYS  30           H        LYS  30 155.258   3.072   0.736
  219    HA   LYS  30           HA       LYS  30 157.386   3.125   0.147
  220    HB2  LYS  30           HB2      LYS  30 157.382   2.300   2.608
  221    HB3  LYS  30           HB3      LYS  30 157.892   0.759   1.968
  222    HG2  LYS  30           HG2      LYS  30 159.770   2.045   2.825
  223    HG3  LYS  30           HG3      LYS  30 159.972   1.768   1.111
  224    HD2  LYS  30           HD2      LYS  30 160.677   4.014   1.734
  225    HD3  LYS  30           HD3      LYS  30 159.313   4.106   0.623
  226    HE2  LYS  30           HE2      LYS  30 157.773   4.502   2.547
  227    HE3  LYS  30           HE3      LYS  30 159.138   4.358   3.665
  228    HZ1  LYS  30           HZ1      LYS  30 158.870   6.458   1.571
  229    HZ2  LYS  30           HZ2      LYS  30 158.642   6.683   3.171
  230    HZ3  LYS  30           HZ3      LYS  30 160.129   6.321   2.608
  231    H    GLY  31           H        GLY  31 159.368   2.012  -0.697
  232    HA2  GLY  31           HA2      GLY  31 159.367  -0.343  -2.248
  233    HA3  GLY  31           HA3      GLY  31 158.668   0.952  -3.236
  234    HN1  NH2  32           HN1      NH2  32 160.733   0.293  -4.519
  235    HN2  NH2  32           HN2      NH2  32 162.168   1.223  -4.140
  236    H1   ACE  33           H1       ACE  33  72.462   1.762  -2.056
  237    H2   ACE  33           H2       ACE  33  72.015   3.461  -1.788
  238    H3   ACE  33           H3       ACE  33  73.665   3.047  -2.315
  239    H    ASP  34           H        ASP  34  74.451   1.094  -0.777
  240    HA   ASP  34           HA       ASP  34  74.554   2.218   1.967
  241    HB2  ASP  34           HB2      ASP  34  72.701   0.547   1.852
  242    HB3  ASP  34           HB3      ASP  34  73.876  -0.691   1.420
  243    HA   HYP  35           HA       HYP  35  78.502  -0.465   1.252
  244    HB2  HYP  35           HB2      HYP  35  78.740  -0.162  -1.731
  245    HB3  HYP  35           HB3      HYP  35  79.321  -1.492  -0.690
  246    HG   HYP  35           HG       HYP  35  77.064  -1.733  -2.204
  247   HD22  HYP  35          HD22      HYP  35  75.937   0.202  -1.523
  248   HD23  HYP  35          HD23      HYP  35  75.233  -0.972  -0.370
  249    HD1  HYP  35           HD1      HYP  35  77.673  -3.363  -0.740
  250    H    GLY  36           H        GLY  36  80.736   0.348   0.689
  251    HA2  GLY  36           HA2      GLY  36  80.864   3.233  -0.151
  252    HA3  GLY  36           HA3      GLY  36  81.779   2.615   1.213
  253    H    ASP  37           H        ASP  37  83.102   3.929  -0.708
  254    HA   ASP  37           HA       ASP  37  83.942   2.347  -2.948
  255    HB2  ASP  37           HB2      ASP  37  84.777   5.043  -1.806
  256    HB3  ASP  37           HB3      ASP  37  85.370   4.411  -3.330
  257    HA   HYP  38           HA       HYP  38  87.852   0.535  -1.688
  258    HB2  HYP  38           HB2      HYP  38  89.124   1.912  -4.034
  259    HB3  HYP  38           HB3      HYP  38  89.205   0.194  -3.568
  260    HG   HYP  38           HG       HYP  38  87.619   1.102  -5.614
  261   HD22  HYP  38          HD22      HYP  38  86.329   2.701  -4.525
  262   HD23  HYP  38          HD23      HYP  38  85.300   1.279  -4.199
  263    HD1  HYP  38           HD1      HYP  38  87.598  -1.076  -5.033
  264    H    GLY  39           H        GLY  39  89.895   0.949  -0.759
  265    HA2  GLY  39           HA2      GLY  39  90.367   3.647   0.272
  266    HA3  GLY  39           HA3      GLY  39  91.236   2.180   0.678
  267    H    ASP  40           H        ASP  40  92.592   4.514   0.435
  268    HA   ASP  40           HA       ASP  40  93.751   4.908  -2.190
  269    HB2  ASP  40           HB2      ASP  40  94.137   6.094   0.571
  270    HB3  ASP  40           HB3      ASP  40  95.241   6.479  -0.737
  271    HA   HYP  41           HA       HYP  41  97.435   2.361  -2.059
  272    HB2  HYP  41           HB2      HYP  41  98.953   4.818  -2.868
  273    HB3  HYP  41           HB3      HYP  41  98.986   3.188  -3.591
  274    HG   HYP  41           HG       HYP  41  97.621   5.306  -4.705
  275   HD22  HYP  41          HD22      HYP  41  96.134   5.891  -3.023
  276   HD23  HYP  41          HD23      HYP  41  95.161   4.576  -3.741
  277    HD1  HYP  41           HD1      HYP  41  97.617   3.256  -5.662
  278    H    GLY  42           H        GLY  42  99.228   1.865  -0.814
  279    HA2  GLY  42           HA2      GLY  42  99.517   3.152   1.751
  280    HA3  GLY  42           HA3      GLY  42 100.433   1.784   1.152
  281    H    ASP  43           H        ASP  43 101.679   3.510   2.779
  282    HA   ASP  43           HA       ASP  43 103.058   5.669   1.497
  283    HB2  ASP  43           HB2      ASP  43 103.477   4.121   4.087
  284    HB3  ASP  43           HB3      ASP  43 104.392   5.549   3.638
  285    HA   HYP  44           HA       HYP  44 106.548   3.574  -0.366
  286    HB2  HYP  44           HB2      HYP  44 108.316   5.696   0.808
  287    HB3  HYP  44           HB3      HYP  44 108.177   5.163  -0.888
  288    HG   HYP  44           HG       HYP  44 107.084   7.512   0.019
  289   HD22  HYP  44          HD22      HYP  44 105.745   6.712   1.764
  290   HD23  HYP  44          HD23      HYP  44 104.565   6.613   0.426
  291    HD1  HYP  44           HD1      HYP  44 106.762   6.930  -2.116
  292    H    GLY  45           H        GLY  45 108.245   2.158   0.097
  293    HA2  GLY  45           HA2      GLY  45 108.762   1.395   2.874
  294    HA3  GLY  45           HA3      GLY  45 109.460   0.685   1.427
  295    H    ASP  46           H        ASP  46 111.051   0.963   3.593
  296    HA   ASP  46           HA       ASP  46 112.632   3.393   3.614
  297    HB2  ASP  46           HB2      ASP  46 112.870   0.616   4.840
  298    HB3  ASP  46           HB3      ASP  46 114.133   1.819   5.016
  299    HA   HYP  47           HA       HYP  47 115.548   2.396   0.394
  300    HB2  HYP  47           HB2      HYP  47 117.977   3.259   1.630
  301    HB3  HYP  47           HB3      HYP  47 116.888   4.185   0.572
  302    HG   HYP  47           HG       HYP  47 117.167   4.241   3.532
  303   HD22  HYP  47          HD22      HYP  47 115.001   3.880   4.113
  304   HD23  HYP  47          HD23      HYP  47 114.368   4.744   2.683
  305    HD1  HYP  47           HD1      HYP  47 116.538   6.360   3.184
  306    H    GLY  48           H        GLY  48 117.343   1.045  -0.203
  307    HA2  GLY  48           HA2      GLY  48 117.569  -1.426   1.270
  308    HA3  GLY  48           HA3      GLY  48 118.472  -0.977  -0.166
  309    H    ASP  49           H        ASP  49 119.665  -2.520   1.716
  310    HA   ASP  49           HA       ASP  49 121.273  -1.024   3.595
  311    HB2  ASP  49           HB2      ASP  49 121.356  -3.861   2.490
  312    HB3  ASP  49           HB3      ASP  49 122.396  -3.275   3.772
  313    HA   HYP  50           HA       HYP  50 124.784   0.103   1.091
  314    HB2  HYP  50           HB2      HYP  50 126.562  -1.304   3.055
  315    HB3  HYP  50           HB3      HYP  50 126.685   0.356   2.413
  316    HG   HYP  50           HG       HYP  50 125.727  -0.222   4.930
  317   HD22  HYP  50          HD22      HYP  50 123.921  -1.605   4.466
  318   HD23  HYP  50          HD23      HYP  50 123.071  -0.047   4.263
  319    HD1  HYP  50           HD1      HYP  50 125.864   1.902   4.125
  320    H    GLY  51           H        GLY  51 126.162  -0.681  -0.490
  321    HA2  GLY  51           HA2      GLY  51 126.312  -3.408  -1.341
  322    HA3  GLY  51           HA3      GLY  51 127.385  -2.110  -1.800
  323    H    ASP  52           H        ASP  52 128.251  -4.705  -1.563
  324    HA   ASP  52           HA       ASP  52 129.534  -5.268   0.920
  325    HB2  ASP  52           HB2      ASP  52 129.902  -6.225  -1.944
  326    HB3  ASP  52           HB3      ASP  52 130.849  -6.843  -0.600
  327    HA   HYP  53           HA       HYP  53 133.220  -2.718   0.746
  328    HB2  HYP  53           HB2      HYP  53 134.752  -5.163   1.563
  329    HB3  HYP  53           HB3      HYP  53 134.755  -3.536   2.296
  330    HG   HYP  53           HG       HYP  53 133.436  -5.662   3.419
  331   HD22  HYP  53          HD22      HYP  53 132.027  -6.295   1.660
  332   HD23  HYP  53          HD23      HYP  53 130.963  -5.086   2.434
  333    HD1  HYP  53           HD1      HYP  53 132.043  -4.139   4.370
  334    H    GLY  54           H        GLY  54 134.915  -2.250  -0.648
  335    HA2  GLY  54           HA2      GLY  54 135.255  -3.771  -3.096
  336    HA3  GLY  54           HA3      GLY  54 136.212  -2.390  -2.575
  337    H    ASP  55           H        ASP  55 137.386  -4.512  -3.922
  338    HA   ASP  55           HA       ASP  55 138.560  -6.476  -2.222
  339    HB2  ASP  55           HB2      ASP  55 139.103  -5.420  -5.006
  340    HB3  ASP  55           HB3      ASP  55 140.216  -6.547  -4.250
  341    HA   HYP  56           HA       HYP  56 142.017  -4.362  -0.298
  342    HB2  HYP  56           HB2      HYP  56 143.674  -6.724  -1.145
  343    HB3  HYP  56           HB3      HYP  56 143.532  -5.979   0.469
  344    HG   HYP  56           HG       HYP  56 142.291  -8.337  -0.182
  345   HD22  HYP  56          HD22      HYP  56 141.062  -7.686  -2.060
  346   HD23  HYP  56          HD23      HYP  56 139.858  -7.304  -0.797
  347    HD1  HYP  56           HD1      HYP  56 141.954  -7.464   1.848
  348    H    GLY  57           H        GLY  57 143.813  -3.096  -0.864
  349    HA2  GLY  57           HA2      GLY  57 144.617  -2.803  -3.658
  350    HA3  GLY  57           HA3      GLY  57 145.383  -2.065  -2.257
  351    H    ASP  58           H        ASP  58 146.831  -3.111  -4.409
  352    HA   ASP  58           HA       ASP  58 147.946  -5.697  -3.622
  353    HB2  ASP  58           HB2      ASP  58 148.297  -3.779  -5.926
  354    HB3  ASP  58           HB3      ASP  58 149.496  -5.024  -5.629
  355    HA   HYP  59           HA       HYP  59 151.155  -4.525  -0.984
  356    HB2  HYP  59           HB2      HYP  59 153.237  -5.848  -2.679
  357    HB3  HYP  59           HB3      HYP  59 152.831  -6.142  -0.971
  358    HG   HYP  59           HG       HYP  59 152.127  -7.831  -3.025
  359   HD22  HYP  59          HD22      HYP  59 150.839  -6.438  -4.357
  360   HD23  HYP  59          HD23      HYP  59 149.547  -6.966  -3.248
  361    HD1  HYP  59           HD1      HYP  59 150.501  -8.597  -1.682
  362    H    GLY  60           H        GLY  60 153.021  -3.201  -0.562
  363    HA2  GLY  60           HA2      GLY  60 153.967  -1.271  -2.544
  364    HA3  GLY  60           HA3      GLY  60 154.726  -1.641  -0.999
  365    H    ASP  61           H        ASP  61 156.355  -1.248  -3.241
  366    HA   ASP  61           HA       ASP  61 156.974  -3.706  -4.610
  367    HB2  ASP  61           HB2      ASP  61 158.304  -1.003  -4.336
  368    HB3  ASP  61           HB3      ASP  61 159.050  -2.331  -5.195
  369    HA   HYP  62           HA       HYP  62 159.358  -5.672  -1.372
  370    HB2  HYP  62           HB2      HYP  62 161.033  -6.738  -3.643
  371    HB3  HYP  62           HB3      HYP  62 160.343  -7.616  -2.248
  372    HG   HYP  62           HG       HYP  62 159.202  -7.729  -4.715
  373   HD22  HYP  62          HD22      HYP  62 158.960  -5.450  -5.214
  374   HD23  HYP  62          HD23      HYP  62 157.394  -5.719  -4.395
  375    HD1  HYP  62           HD1      HYP  62 157.205  -8.034  -3.670
  376    H    GLY  63           H        GLY  63 161.039  -3.705  -3.769
  377    HA2  GLY  63           HA2      GLY  63 162.922  -2.540  -1.975
  378    HA3  GLY  63           HA3      GLY  63 163.705  -3.862  -2.847
  379    HN1  NH2  64           HN1      NH2  64 165.019  -1.813  -3.503
  380    HN2  NH2  64           HN2      NH2  64 164.487  -1.025  -4.976
  381    H1   ACE  65           H1       ACE  65  80.384  -7.147   2.535
  382    H2   ACE  65           H2       ACE  65  80.212  -6.624   4.224
  383    H3   ACE  65           H3       ACE  65  78.765  -6.895   3.222
  384    HA   PRO  66           HA       PRO  66  78.596  -2.596   2.353
  385    HB2  PRO  66           HB2      PRO  66  79.185  -1.720   5.175
  386    HB3  PRO  66           HB3      PRO  66  77.862  -1.219   4.082
  387    HG2  PRO  66           HG2      PRO  66  77.418  -3.027   6.061
  388    HG3  PRO  66           HG3      PRO  66  76.686  -3.255   4.439
  389    HD2  PRO  66           HD2      PRO  66  79.140  -4.586   5.595
  390    HD3  PRO  66           HD3      PRO  66  77.809  -5.294   4.635
  391    HA   HYP  67           HA       HYP  67  82.612  -0.402   3.578
  392    HB2  HYP  67           HB2      HYP  67  84.795  -1.716   4.606
  393    HB3  HYP  67           HB3      HYP  67  83.501  -0.981   5.595
  394    HG   HYP  67           HG       HYP  67  83.843  -3.878   4.785
  395   HD22  HYP  67          HD22      HYP  67  81.584  -4.203   4.577
  396   HD23  HYP  67          HD23      HYP  67  81.155  -2.883   5.704
  397    HD1  HYP  67           HD1      HYP  67  83.233  -4.146   6.978
  398    H    GLY  68           H        GLY  68  84.006   0.187   2.030
  399    HA2  GLY  68           HA2      GLY  68  84.513  -1.505  -0.252
  400    HA3  GLY  68           HA3      GLY  68  85.237   0.068   0.055
  401    HA   PRO  69           HA       PRO  69  88.153  -3.608   0.903
  402    HB2  PRO  69           HB2      PRO  69  89.676  -3.759  -1.387
  403    HB3  PRO  69           HB3      PRO  69  88.121  -4.616  -1.161
  404    HG2  PRO  69           HG2      PRO  69  88.597  -1.953  -2.532
  405    HG3  PRO  69           HG3      PRO  69  87.664  -3.359  -3.143
  406    HD2  PRO  69           HD2      PRO  69  86.427  -1.259  -1.936
  407    HD3  PRO  69           HD3      PRO  69  85.877  -2.936  -1.652
  408    HA   HYP  70           HA       HYP  70  91.630  -0.877   2.036
  409    HB2  HYP  70           HB2      HYP  70  93.347  -3.245   1.359
  410    HB3  HYP  70           HB3      HYP  70  93.372  -2.227   2.822
  411    HG   HYP  70           HG       HYP  70  92.275  -4.741   2.769
  412   HD22  HYP  70          HD22      HYP  70  90.669  -4.532   1.091
  413   HD23  HYP  70          HD23      HYP  70  89.678  -3.936   2.454
  414    HD1  HYP  70           HD1      HYP  70  91.010  -4.090   4.515
  415    H    GLY  71           H        GLY  71  93.210   0.367   0.967
  416    HA2  GLY  71           HA2      GLY  71  93.339   0.254  -1.934
  417    HA3  GLY  71           HA3      GLY  71  94.290   1.298  -0.893
  418    HA   PRO  72           HA       PRO  72  96.755  -2.332  -2.660
  419    HB2  PRO  72           HB2      PRO  72  98.325  -0.677  -4.435
  420    HB3  PRO  72           HB3      PRO  72  97.212  -2.010  -4.833
  421    HG2  PRO  72           HG2      PRO  72  96.781   0.784  -5.276
  422    HG3  PRO  72           HG3      PRO  72  95.607  -0.539  -5.472
  423    HD2  PRO  72           HD2      PRO  72  95.814   1.425  -3.282
  424    HD3  PRO  72           HD3      PRO  72  94.446   0.392  -3.771
  425    HA   HYP  73           HA       HYP  73 100.339  -1.522  -0.040
  426    HB2  HYP  73           HB2      HYP  73 102.008  -2.807  -2.179
  427    HB3  HYP  73           HB3      HYP  73 101.972  -3.149  -0.429
  428    HG   HYP  73           HG       HYP  73 100.765  -4.767  -2.299
  429   HD22  HYP  73          HD22      HYP  73  99.283  -3.305  -3.335
  430   HD23  HYP  73          HD23      HYP  73  98.251  -3.783  -1.956
  431    HD1  HYP  73           HD1      HYP  73 100.641  -5.256  -0.103
  432    H    GLY  74           H        GLY  74 102.084  -0.107   0.198
  433    HA2  GLY  74           HA2      GLY  74 102.468   1.995  -1.763
  434    HA3  GLY  74           HA3      GLY  74 103.368   1.770  -0.269
  435    HA   PRO  75           HA       PRO  75 105.768   0.532  -4.166
  436    HB2  PRO  75           HB2      PRO  75 107.390   2.696  -4.631
  437    HB3  PRO  75           HB3      PRO  75 105.705   2.579  -5.221
  438    HG2  PRO  75           HG2      PRO  75 106.706   3.954  -2.710
  439    HG3  PRO  75           HG3      PRO  75 105.619   4.619  -3.972
  440    HD2  PRO  75           HD2      PRO  75 104.636   3.547  -1.669
  441    HD3  PRO  75           HD3      PRO  75 103.801   3.308  -3.232
  442    HA   HYP  76           HA       HYP  76 109.531  -0.739  -1.949
  443    HB2  HYP  76           HB2      HYP  76 110.958  -0.163  -4.531
  444    HB3  HYP  76           HB3      HYP  76 111.038  -1.623  -3.511
  445    HG   HYP  76           HG       HYP  76 109.616  -1.506  -5.863
  446   HD22  HYP  76          HD22      HYP  76 108.144   0.245  -5.452
  447   HD23  HYP  76          HD23      HYP  76 107.178  -1.065  -4.714
  448    HD1  HYP  76           HD1      HYP  76 109.648  -3.387  -4.614
  449    H    GLY  77           H        GLY  77 111.295   0.266  -0.908
  450    HA2  GLY  77           HA2      GLY  77 111.687   3.143  -1.181
  451    HA3  GLY  77           HA3      GLY  77 112.647   2.052  -0.196
  452    HA   PRO  78           HA       PRO  78 114.874   3.398  -4.159
  453    HB2  PRO  78           HB2      PRO  78 116.856   4.941  -2.732
  454    HB3  PRO  78           HB3      PRO  78 115.649   5.489  -3.921
  455    HG2  PRO  78           HG2      PRO  78 115.637   5.945  -1.076
  456    HG3  PRO  78           HG3      PRO  78 114.386   6.390  -2.268
  457    HD2  PRO  78           HD2      PRO  78 114.369   4.198  -0.323
  458    HD3  PRO  78           HD3      PRO  78 113.033   4.866  -1.297
  459    HA   HYP  79           HA       HYP  79 118.175   0.362  -3.667
  460    HB2  HYP  79           HB2      HYP  79 119.947   2.274  -5.160
  461    HB3  HYP  79           HB3      HYP  79 119.673   0.536  -5.455
  462    HG   HYP  79           HG       HYP  79 118.531   2.506  -6.994
  463   HD22  HYP  79          HD22      HYP  79 117.362   3.743  -5.396
  464   HD23  HYP  79          HD23      HYP  79 116.112   2.516  -5.749
  465    HD1  HYP  79           HD1      HYP  79 118.092   0.331  -7.397
  466    H    GLY  80           H        GLY  80 119.951  -0.041  -2.342
  467    HA2  GLY  80           HA2      GLY  80 120.512   1.823  -0.258
  468    HA3  GLY  80           HA3      GLY  80 121.342   0.293  -0.521
  469    HA   PRO  81           HA       PRO  81 124.100   3.995  -1.504
  470    HB2  PRO  81           HB2      PRO  81 125.689   3.661   0.891
  471    HB3  PRO  81           HB3      PRO  81 124.731   5.072   0.368
  472    HG2  PRO  81           HG2      PRO  81 124.099   3.324   2.519
  473    HG3  PRO  81           HG3      PRO  81 123.013   4.496   1.745
  474    HD2  PRO  81           HD2      PRO  81 123.124   1.552   1.359
  475    HD3  PRO  81           HD3      PRO  81 121.762   2.691   1.193
  476    HA   HYP  82           HA       HYP  82 127.475   1.409  -3.056
  477    HB2  HYP  82           HB2      HYP  82 129.308   3.643  -2.243
  478    HB3  HYP  82           HB3      HYP  82 129.211   2.784  -3.804
  479    HG   HYP  82           HG       HYP  82 128.181   5.303  -3.427
  480   HD22  HYP  82          HD22      HYP  82 126.707   4.949  -1.654
  481   HD23  HYP  82          HD23      HYP  82 125.610   4.542  -3.007
  482    HD1  HYP  82           HD1      HYP  82 127.949   4.278  -5.414
  483    H    GLY  83           H        GLY  83 128.962  -0.053  -2.235
  484    HA2  GLY  83           HA2      GLY  83 129.273  -0.353   0.608
  485    HA3  GLY  83           HA3      GLY  83 130.136  -1.266  -0.630
  486    HA   PRO  84           HA       PRO  84 132.816   2.020   1.501
  487    HB2  PRO  84           HB2      PRO  84 134.251   0.141   3.157
  488    HB3  PRO  84           HB3      PRO  84 133.263   1.546   3.636
  489    HG2  PRO  84           HG2      PRO  84 132.576  -1.204   3.957
  490    HG3  PRO  84           HG3      PRO  84 131.510   0.204   4.164
  491    HD2  PRO  84           HD2      PRO  84 131.642  -1.680   1.887
  492    HD3  PRO  84           HD3      PRO  84 130.316  -0.620   2.427
  493    HA   HYP  85           HA       HYP  85 136.304   1.041  -1.250
  494    HB2  HYP  85           HB2      HYP  85 137.977   2.423   0.828
  495    HB3  HYP  85           HB3      HYP  85 137.943   2.680  -0.937
  496    HG   HYP  85           HG       HYP  85 136.749   4.399   0.846
  497   HD22  HYP  85          HD22      HYP  85 135.272   2.986   1.962
  498   HD23  HYP  85          HD23      HYP  85 134.233   3.422   0.572
  499    HD1  HYP  85           HD1      HYP  85 136.583   4.840  -1.329
  500    H    GLY  86           H        GLY  86 137.955  -0.502  -1.375
  501    HA2  GLY  86           HA2      GLY  86 138.287  -2.440   0.738
  502    HA3  GLY  86           HA3      GLY  86 139.252  -2.324  -0.729
  503    HA   PRO  87           HA       PRO  87 141.611  -0.746   3.106
  504    HB2  PRO  87           HB2      PRO  87 143.128  -2.926   3.821
  505    HB3  PRO  87           HB3      PRO  87 141.476  -2.625   4.439
  506    HG2  PRO  87           HG2      PRO  87 142.304  -4.397   2.120
  507    HG3  PRO  87           HG3      PRO  87 141.218  -4.805   3.487
  508    HD2  PRO  87           HD2      PRO  87 140.231  -4.009   1.078
  509    HD3  PRO  87           HD3      PRO  87 139.464  -3.488   2.606
  510    HA   HYP  88           HA       HYP  88 145.342  -0.055   0.585
  511    HB2  HYP  88           HB2      HYP  88 146.839  -0.199   3.181
  512    HB3  HYP  88           HB3      HYP  88 146.920   1.047   1.909
  513    HG   HYP  88           HG       HYP  88 145.590   1.413   4.291
  514   HD22  HYP  88          HD22      HYP  88 144.054  -0.337   4.245
  515   HD23  HYP  88          HD23      HYP  88 143.092   0.864   3.336
  516    HD1  HYP  88           HD1      HYP  88 145.631   3.035   2.723
  517    H    GLY  89           H        GLY  89 147.050  -1.320  -0.255
  518    HA2  GLY  89           HA2      GLY  89 147.246  -4.126   0.411
  519    HA3  GLY  89           HA3      GLY  89 148.373  -3.218  -0.591
  520    HA   PRO  90           HA       PRO  90 150.119  -4.165   3.710
  521    HB2  PRO  90           HB2      PRO  90 151.741  -6.338   3.274
  522    HB3  PRO  90           HB3      PRO  90 149.999  -6.456   3.668
  523    HG2  PRO  90           HG2      PRO  90 151.301  -6.513   0.938
  524    HG3  PRO  90           HG3      PRO  90 150.090  -7.661   1.602
  525    HD2  PRO  90           HD2      PRO  90 149.356  -5.600  -0.020
  526    HD3  PRO  90           HD3      PRO  90 148.339  -6.088   1.367
  527    HA   HYP  91           HA       HYP  91 153.958  -1.956   2.881
  528    HB2  HYP  91           HB2      HYP  91 155.309  -3.822   4.809
  529    HB3  HYP  91           HB3      HYP  91 155.334  -2.039   4.768
  530    HG   HYP  91           HG       HYP  91 153.814  -3.487   6.554
  531   HD22  HYP  91          HD22      HYP  91 152.444  -4.737   5.155
  532   HD23  HYP  91          HD23      HYP  91 151.473  -3.237   5.174
  533    HD1  HYP  91           HD1      HYP  91 153.736  -1.262   6.637
  534    H    GLY  92           H        GLY  92 155.671  -2.084   1.484
  535    HA2  GLY  92           HA2      GLY  92 156.064  -4.552  -0.016
  536    HA3  GLY  92           HA3      GLY  92 156.839  -2.995  -0.293
  537    HA   PRO  93           HA       PRO  93 160.555  -4.599   1.461
  538    HB2  PRO  93           HB2      PRO  93 161.758  -2.539   2.786
  539    HB3  PRO  93           HB3      PRO  93 161.440  -2.491   1.025
  540    HG2  PRO  93           HG2      PRO  93 159.754  -1.302   3.256
  541    HG3  PRO  93           HG3      PRO  93 160.338  -0.502   1.761
  542    HD2  PRO  93           HD2      PRO  93 157.840  -1.595   1.968
  543    HD3  PRO  93           HD3      PRO  93 158.756  -1.627   0.430
  544    HA   HYP  94           HA       HYP  94 160.371  -5.988   5.796
  545    HB2  HYP  94           HB2      HYP  94 163.293  -5.292   5.956
  546    HB3  HYP  94           HB3      HYP  94 162.474  -6.808   6.417
  547    HG   HYP  94           HG       HYP  94 163.933  -6.588   4.114
  548   HD22  HYP  94          HD22      HYP  94 162.901  -4.707   3.160
  549   HD23  HYP  94          HD23      HYP  94 161.913  -5.993   2.410
  550    HD1  HYP  94           HD1      HYP  94 162.774  -8.485   4.603
  551    H    GLY  95           H        GLY  95 160.188  -5.054   7.872
  552    HA2  GLY  95           HA2      GLY  95 161.450  -2.650   8.764
  553    HA3  GLY  95           HA3      GLY  95 159.882  -2.231   8.069
  554    HN1  NH2  96           HN1      NH2  96 160.444  -5.281   9.904
  555    HN2  NH2  96           HN2      NH2  96 159.426  -4.811  11.248
  Start of MODEL    8
    1    H1   ACE   1           H1       ACE   1  76.917   9.683  -4.819
    2    H2   ACE   1           H2       ACE   1  76.152   9.768  -3.224
    3    H3   ACE   1           H3       ACE   1  77.382   8.524  -3.559
    4    HA   PRO   2           HA       PRO   2  74.972   8.458  -1.733
    5    HB2  PRO   2           HB2      PRO   2  73.982   6.185  -0.585
    6    HB3  PRO   2           HB3      PRO   2  72.949   7.404  -1.389
    7    HG2  PRO   2           HG2      PRO   2  74.030   4.821  -2.566
    8    HG3  PRO   2           HG3      PRO   2  72.341   5.425  -2.587
    9    HD2  PRO   2           HD2      PRO   2  74.016   5.808  -4.701
   10    HD3  PRO   2           HD3      PRO   2  72.851   7.069  -4.206
   11    H    LYS   3           H        LYS   3  76.344   5.577  -3.231
   12    HA   LYS   3           HA       LYS   3  77.932   4.025  -2.581
   13    HB2  LYS   3           HB2      LYS   3  79.357   6.643  -1.992
   14    HB3  LYS   3           HB3      LYS   3  80.151   5.066  -2.117
   15    HG2  LYS   3           HG2      LYS   3  79.411   4.814  -4.441
   16    HG3  LYS   3           HG3      LYS   3  78.665   6.428  -4.386
   17    HD2  LYS   3           HD2      LYS   3  80.834   7.460  -3.888
   18    HD3  LYS   3           HD3      LYS   3  81.605   5.865  -3.774
   19    HE2  LYS   3           HE2      LYS   3  81.136   5.433  -6.150
   20    HE3  LYS   3           HE3      LYS   3  80.340   7.009  -6.299
   21    HZ1  LYS   3           HZ1      LYS   3  83.197   6.631  -5.514
   22    HZ2  LYS   3           HZ2      LYS   3  82.693   7.057  -7.021
   23    HZ3  LYS   3           HZ3      LYS   3  82.454   8.069  -5.759
   24    H    GLY   4           H        GLY   4  79.864   5.117  -0.314
   25    HA2  GLY   4           HA2      GLY   4  78.685   4.578   2.207
   26    HA3  GLY   4           HA3      GLY   4  79.336   3.075   1.527
   27    HA   PRO   5           HA       PRO   5  82.590   5.698   3.722
   28    HB2  PRO   5           HB2      PRO   5  83.647   3.746   5.384
   29    HB3  PRO   5           HB3      PRO   5  82.261   4.803   5.785
   30    HG2  PRO   5           HG2      PRO   5  82.197   1.979   4.689
   31    HG3  PRO   5           HG3      PRO   5  81.250   2.666   6.049
   32    HD2  PRO   5           HD2      PRO   5  80.185   2.424   3.572
   33    HD3  PRO   5           HD3      PRO   5  79.833   3.863   4.574
   34    H    LYS   6           H        LYS   6  84.678   5.940   3.173
   35    HA   LYS   6           HA       LYS   6  85.876   4.443   1.016
   36    HB2  LYS   6           HB2      LYS   6  86.215   6.885   1.430
   37    HB3  LYS   6           HB3      LYS   6  87.028   6.518   2.953
   38    HG2  LYS   6           HG2      LYS   6  88.870   5.452   1.804
   39    HG3  LYS   6           HG3      LYS   6  88.024   5.551   0.245
   40    HD2  LYS   6           HD2      LYS   6  88.205   7.967   0.220
   41    HD3  LYS   6           HD3      LYS   6  88.822   7.995   1.889
   42    HE2  LYS   6           HE2      LYS   6  90.838   6.787   1.220
   43    HE3  LYS   6           HE3      LYS   6  90.236   6.613  -0.436
   44    HZ1  LYS   6           HZ1      LYS   6  90.853   9.214   0.859
   45    HZ2  LYS   6           HZ2      LYS   6  91.846   8.434  -0.176
   46    HZ3  LYS   6           HZ3      LYS   6  90.394   9.006  -0.706
   47    H    GLY   7           H        GLY   7  87.540   3.005   0.965
   48    HA2  GLY   7           HA2      GLY   7  87.866   1.194   3.155
   49    HA3  GLY   7           HA3      GLY   7  88.766   1.174   1.642
   50    HA   PRO   8           HA       PRO   8  91.424   2.520   5.324
   51    HB2  PRO   8           HB2      PRO   8  92.784   0.241   5.969
   52    HB3  PRO   8           HB3      PRO   8  91.126   0.582   6.555
   53    HG2  PRO   8           HG2      PRO   8  91.941  -1.085   4.154
   54    HG3  PRO   8           HG3      PRO   8  90.828  -1.545   5.485
   55    HD2  PRO   8           HD2      PRO   8  89.878  -0.569   3.128
   56    HD3  PRO   8           HD3      PRO   8  89.127  -0.117   4.683
   57    H    LYS   9           H        LYS   9  93.591   3.051   5.351
   58    HA   LYS   9           HA       LYS   9  95.052   3.252   2.883
   59    HB2  LYS   9           HB2      LYS   9  95.166   4.906   4.754
   60    HB3  LYS   9           HB3      LYS   9  95.825   3.669   5.818
   61    HG2  LYS   9           HG2      LYS   9  97.897   3.587   4.640
   62    HG3  LYS   9           HG3      LYS   9  97.270   4.560   3.295
   63    HD2  LYS   9           HD2      LYS   9  97.155   6.532   4.607
   64    HD3  LYS   9           HD3      LYS   9  97.330   5.666   6.136
   65    HE2  LYS   9           HE2      LYS   9  99.527   5.677   4.024
   66    HE3  LYS   9           HE3      LYS   9  99.368   6.973   5.215
   67    HZ1  LYS   9           HZ1      LYS   9  99.738   4.107   5.926
   68    HZ2  LYS   9           HZ2      LYS   9 100.897   5.269   5.993
   69    HZ3  LYS   9           HZ3      LYS   9  99.604   5.350   6.989
   70    H    GLY  10           H        GLY  10  96.841   2.240   2.099
   71    HA2  GLY  10           HA2      GLY  10  97.170  -0.557   2.731
   72    HA3  GLY  10           HA3      GLY  10  98.082   0.365   1.545
   73    HA   PRO  11           HA       PRO  11 100.691  -0.613   5.401
   74    HB2  PRO  11           HB2      PRO  11 102.083  -2.841   4.660
   75    HB3  PRO  11           HB3      PRO  11 100.422  -2.922   5.324
   76    HG2  PRO  11           HG2      PRO  11 101.252  -2.905   2.402
   77    HG3  PRO  11           HG3      PRO  11 100.176  -4.080   3.229
   78    HD2  PRO  11           HD2      PRO  11  99.143  -1.977   1.858
   79    HD3  PRO  11           HD3      PRO  11  98.430  -2.493   3.411
   80    H    LYS  12           H        LYS  12 102.963  -0.360   5.676
   81    HA   LYS  12           HA       LYS  12 104.358   1.318   3.840
   82    HB2  LYS  12           HB2      LYS  12 104.726   1.220   6.311
   83    HB3  LYS  12           HB3      LYS  12 105.397  -0.404   6.139
   84    HG2  LYS  12           HG2      LYS  12 107.276   0.489   4.807
   85    HG3  LYS  12           HG3      LYS  12 106.590   2.121   4.904
   86    HD2  LYS  12           HD2      LYS  12 106.875   2.124   7.352
   87    HD3  LYS  12           HD3      LYS  12 107.358   0.425   7.318
   88    HE2  LYS  12           HE2      LYS  12 109.348   1.669   7.589
   89    HE3  LYS  12           HE3      LYS  12 109.362   1.018   5.950
   90    HZ1  LYS  12           HZ1      LYS  12 108.616   3.814   6.662
   91    HZ2  LYS  12           HZ2      LYS  12 110.077   3.336   6.093
   92    HZ3  LYS  12           HZ3      LYS  12 108.747   3.229   5.122
   93    H    GLY  13           H        GLY  13 105.939   0.969   2.351
   94    HA2  GLY  13           HA2      GLY  13 106.021  -1.540   0.944
   95    HA3  GLY  13           HA3      GLY  13 106.995  -0.113   0.603
   96    HA   PRO  14           HA       PRO  14 109.517  -3.626   2.546
   97    HB2  PRO  14           HB2      PRO  14 110.759  -4.753   0.395
   98    HB3  PRO  14           HB3      PRO  14 109.085  -5.176   0.869
   99    HG2  PRO  14           HG2      PRO  14 109.973  -3.169  -1.222
  100    HG3  PRO  14           HG3      PRO  14 108.778  -4.492  -1.411
  101    HD2  PRO  14           HD2      PRO  14 108.003  -1.936  -0.859
  102    HD3  PRO  14           HD3      PRO  14 107.159  -3.338  -0.139
  103    H    LYS  15           H        LYS  15 111.730  -3.651   2.980
  104    HA   LYS  15           HA       LYS  15 113.308  -1.294   2.702
  105    HB2  LYS  15           HB2      LYS  15 113.541  -3.148   4.428
  106    HB3  LYS  15           HB3      LYS  15 114.250  -4.159   3.160
  107    HG2  LYS  15           HG2      LYS  15 115.970  -2.305   2.841
  108    HG3  LYS  15           HG3      LYS  15 115.326  -1.522   4.269
  109    HD2  LYS  15           HD2      LYS  15 117.251  -2.721   4.972
  110    HD3  LYS  15           HD3      LYS  15 115.876  -3.686   5.542
  111    HE2  LYS  15           HE2      LYS  15 116.120  -5.190   3.579
  112    HE3  LYS  15           HE3      LYS  15 117.424  -4.172   2.945
  113    HZ1  LYS  15           HZ1      LYS  15 117.565  -5.620   5.544
  114    HZ2  LYS  15           HZ2      LYS  15 118.248  -6.146   4.157
  115    HZ3  LYS  15           HZ3      LYS  15 118.787  -4.765   4.844
  116    H    GLY  16           H        GLY  16 114.823  -0.631   1.234
  117    HA2  GLY  16           HA2      GLY  16 114.861  -1.671  -1.444
  118    HA3  GLY  16           HA3      GLY  16 115.958  -0.462  -0.787
  119    HA   PRO  17           HA       PRO  17 118.133  -4.651  -1.375
  120    HB2  PRO  17           HB2      PRO  17 119.289  -4.459  -3.834
  121    HB3  PRO  17           HB3      PRO  17 117.585  -4.957  -3.607
  122    HG2  PRO  17           HG2      PRO  17 118.637  -2.190  -4.283
  123    HG3  PRO  17           HG3      PRO  17 117.328  -3.104  -5.099
  124    HD2  PRO  17           HD2      PRO  17 116.814  -1.222  -3.177
  125    HD3  PRO  17           HD3      PRO  17 115.819  -2.700  -3.342
  126    H    LYS  18           H        LYS  18 120.355  -5.060  -1.153
  127    HA   LYS  18           HA       LYS  18 121.968  -3.086   0.097
  128    HB2  LYS  18           HB2      LYS  18 122.044  -5.561   0.437
  129    HB3  LYS  18           HB3      LYS  18 122.752  -5.751  -1.172
  130    HG2  LYS  18           HG2      LYS  18 124.751  -4.510  -0.473
  131    HG3  LYS  18           HG3      LYS  18 124.028  -4.183   1.116
  132    HD2  LYS  18           HD2      LYS  18 124.013  -6.578   1.639
  133    HD3  LYS  18           HD3      LYS  18 124.588  -6.969   0.000
  134    HE2  LYS  18           HE2      LYS  18 126.666  -5.708   0.405
  135    HE3  LYS  18           HE3      LYS  18 126.121  -5.282   2.035
  136    HZ1  LYS  18           HZ1      LYS  18 127.657  -7.228   1.900
  137    HZ2  LYS  18           HZ2      LYS  18 126.236  -7.596   2.655
  138    HZ3  LYS  18           HZ3      LYS  18 126.516  -8.083   1.113
  139    H    GLY  19           H        GLY  19 123.797  -1.954  -0.498
  140    HA2  GLY  19           HA2      GLY  19 124.000  -1.065  -3.258
  141    HA3  GLY  19           HA3      GLY  19 125.017  -0.558  -1.917
  142    HA   PRO  20           HA       PRO  20 127.356  -3.547  -4.792
  143    HB2  PRO  20           HB2      PRO  20 128.765  -1.862  -6.414
  144    HB3  PRO  20           HB3      PRO  20 127.077  -2.345  -6.756
  145    HG2  PRO  20           HG2      PRO  20 128.038   0.182  -5.371
  146    HG3  PRO  20           HG3      PRO  20 126.894   0.047  -6.746
  147    HD2  PRO  20           HD2      PRO  20 126.001   0.275  -4.186
  148    HD3  PRO  20           HD3      PRO  20 125.176  -0.787  -5.359
  149    H    LYS  21           H        LYS  21 129.569  -4.101  -4.624
  150    HA   LYS  21           HA       LYS  21 131.027  -3.224  -2.308
  151    HB2  LYS  21           HB2      LYS  21 131.141  -5.503  -3.392
  152    HB3  LYS  21           HB3      LYS  21 132.030  -4.775  -4.739
  153    HG2  LYS  21           HG2      LYS  21 133.760  -4.018  -3.061
  154    HG3  LYS  21           HG3      LYS  21 132.896  -4.884  -1.812
  155    HD2  LYS  21           HD2      LYS  21 134.704  -6.255  -2.437
  156    HD3  LYS  21           HD3      LYS  21 133.291  -7.004  -3.207
  157    HE2  LYS  21           HE2      LYS  21 133.873  -5.888  -5.348
  158    HE3  LYS  21           HE3      LYS  21 135.215  -5.041  -4.558
  159    HZ1  LYS  21           HZ1      LYS  21 135.918  -7.055  -5.797
  160    HZ2  LYS  21           HZ2      LYS  21 136.334  -7.149  -4.222
  161    HZ3  LYS  21           HZ3      LYS  21 135.049  -8.005  -4.792
  162    H    GLY  22           H        GLY  22 132.889  -1.986  -2.086
  163    HA2  GLY  22           HA2      GLY  22 133.396   0.152  -4.022
  164    HA3  GLY  22           HA3      GLY  22 134.226  -0.107  -2.498
  165    HA   PRO  23           HA       PRO  23 136.960  -1.470  -6.133
  166    HB2  PRO  23           HB2      PRO  23 138.558   0.698  -6.543
  167    HB3  PRO  23           HB3      PRO  23 136.910   0.588  -7.231
  168    HG2  PRO  23           HG2      PRO  23 137.761   1.969  -4.662
  169    HG3  PRO  23           HG3      PRO  23 136.798   2.655  -6.012
  170    HD2  PRO  23           HD2      PRO  23 135.607   1.612  -3.790
  171    HD3  PRO  23           HD3      PRO  23 134.892   1.403  -5.414
  172    H    LYS  24           H        LYS  24 139.265  -1.971  -6.073
  173    HA   LYS  24           HA       LYS  24 140.347  -2.761  -3.597
  174    HB2  LYS  24           HB2      LYS  24 140.967  -3.574  -5.920
  175    HB3  LYS  24           HB3      LYS  24 141.896  -2.085  -6.130
  176    HG2  LYS  24           HG2      LYS  24 143.167  -2.797  -3.984
  177    HG3  LYS  24           HG3      LYS  24 142.360  -4.345  -4.136
  178    HD2  LYS  24           HD2      LYS  24 144.493  -4.628  -5.100
  179    HD3  LYS  24           HD3      LYS  24 143.385  -4.510  -6.480
  180    HE2  LYS  24           HE2      LYS  24 143.993  -2.101  -6.739
  181    HE3  LYS  24           HE3      LYS  24 145.048  -2.210  -5.325
  182    HZ1  LYS  24           HZ1      LYS  24 145.437  -3.762  -7.835
  183    HZ2  LYS  24           HZ2      LYS  24 146.290  -2.435  -7.413
  184    HZ3  LYS  24           HZ3      LYS  24 146.439  -3.802  -6.530
  185    H    GLY  25           H        GLY  25 141.810  -1.946  -2.159
  186    HA2  GLY  25           HA2      GLY  25 142.113   0.917  -1.853
  187    HA3  GLY  25           HA3      GLY  25 142.844  -0.336  -0.855
  188    HA   PRO  26           HA       PRO  26 146.031   1.801  -3.648
  189    HB2  PRO  26           HB2      PRO  26 147.218   3.567  -1.943
  190    HB3  PRO  26           HB3      PRO  26 145.664   3.922  -2.757
  191    HG2  PRO  26           HG2      PRO  26 146.082   2.817   0.039
  192    HG3  PRO  26           HG3      PRO  26 145.084   4.227  -0.446
  193    HD2  PRO  26           HD2      PRO  26 143.983   1.760  -0.097
  194    HD3  PRO  26           HD3      PRO  26 143.427   2.846  -1.402
  195    H    LYS  27           H        LYS  27 148.374   1.629  -3.600
  196    HA   LYS  27           HA       LYS  27 149.403  -0.754  -2.460
  197    HB2  LYS  27           HB2      LYS  27 150.245   0.489  -4.503
  198    HB3  LYS  27           HB3      LYS  27 150.986   1.672  -3.415
  199    HG2  LYS  27           HG2      LYS  27 152.394  -0.168  -2.435
  200    HG3  LYS  27           HG3      LYS  27 151.601  -1.316  -3.511
  201    HD2  LYS  27           HD2      LYS  27 153.642  -0.911  -4.503
  202    HD3  LYS  27           HD3      LYS  27 152.532   0.039  -5.478
  203    HE2  LYS  27           HE2      LYS  27 154.076   1.269  -3.146
  204    HE3  LYS  27           HE3      LYS  27 154.871   0.979  -4.693
  205    HZ1  LYS  27           HZ1      LYS  27 152.510   2.750  -4.325
  206    HZ2  LYS  27           HZ2      LYS  27 154.034   3.212  -4.663
  207    HZ3  LYS  27           HZ3      LYS  27 153.184   2.382  -5.775
  208    H    GLY  28           H        GLY  28 150.725  -1.231  -0.755
  209    HA2  GLY  28           HA2      GLY  28 150.435   0.261   1.661
  210    HA3  GLY  28           HA3      GLY  28 151.484  -1.134   1.427
  211    HA   PRO  29           HA       PRO  29 154.015   2.891   1.789
  212    HB2  PRO  29           HB2      PRO  29 154.578   3.059   4.454
  213    HB3  PRO  29           HB3      PRO  29 153.057   3.687   3.753
  214    HG2  PRO  29           HG2      PRO  29 153.517   1.002   5.089
  215    HG3  PRO  29           HG3      PRO  29 152.223   2.196   5.434
  216    HD2  PRO  29           HD2      PRO  29 151.807   0.069   3.779
  217    HD3  PRO  29           HD3      PRO  29 151.072   1.664   3.449
  218    H    LYS  30           H        LYS  30 156.314   3.019   2.149
  219    HA   LYS  30           HA       LYS  30 157.693   0.413   2.081
  220    HB2  LYS  30           HB2      LYS  30 158.647   3.268   1.638
  221    HB3  LYS  30           HB3      LYS  30 159.708   1.854   1.570
  222    HG2  LYS  30           HG2      LYS  30 158.319   0.860  -0.214
  223    HG3  LYS  30           HG3      LYS  30 157.274   2.294  -0.208
  224    HD2  LYS  30           HD2      LYS  30 159.248   3.709  -0.793
  225    HD3  LYS  30           HD3      LYS  30 160.261   2.248  -0.843
  226    HE2  LYS  30           HE2      LYS  30 158.783   1.313  -2.632
  227    HE3  LYS  30           HE3      LYS  30 157.817   2.796  -2.596
  228    HZ1  LYS  30           HZ1      LYS  30 160.701   2.640  -3.318
  229    HZ2  LYS  30           HZ2      LYS  30 159.474   2.869  -4.369
  230    HZ3  LYS  30           HZ3      LYS  30 159.827   4.025  -3.271
  231    H    GLY  31           H        GLY  31 156.871   2.437   4.625
  232    HA2  GLY  31           HA2      GLY  31 158.348   0.973   6.576
  233    HA3  GLY  31           HA3      GLY  31 159.187   2.493   6.262
  234    HN1  NH2  32           HN1      NH2  32 158.506   2.391   8.756
  235    HN2  NH2  32           HN2      NH2  32 157.031   3.269   9.114
  236    H1   ACE  33           H1       ACE  33  72.813   2.401  -1.374
  237    H2   ACE  33           H2       ACE  33  73.048   0.828  -0.579
  238    H3   ACE  33           H3       ACE  33  71.752   1.034  -1.784
  239    H    ASP  34           H        ASP  34  75.204   1.859  -1.630
  240    HA   ASP  34           HA       ASP  34  75.910   0.186  -3.965
  241    HB2  ASP  34           HB2      ASP  34  76.034   3.226  -3.847
  242    HB3  ASP  34           HB3      ASP  34  77.122   2.317  -4.877
  243    HA   HYP  35           HA       HYP  35  79.496  -0.368  -1.543
  244    HB2  HYP  35           HB2      HYP  35  81.540  -0.892  -3.291
  245    HB3  HYP  35           HB3      HYP  35  80.152  -1.979  -3.004
  246    HG   HYP  35           HG       HYP  35  80.559  -0.005  -5.267
  247   HD22  HYP  35          HD22      HYP  35  78.331   0.551  -5.325
  248   HD23  HYP  35          HD23      HYP  35  77.797  -1.028  -4.684
  249    HD1  HYP  35           HD1      HYP  35  80.871  -2.275  -5.621
  250    H    GLY  36           H        GLY  36  81.677   0.339  -0.908
  251    HA2  GLY  36           HA2      GLY  36  81.865   3.279  -0.989
  252    HA3  GLY  36           HA3      GLY  36  82.766   2.189   0.054
  253    H    ASP  37           H        ASP  37  84.023   4.355  -1.081
  254    HA   ASP  37           HA       ASP  37  85.351   3.724  -3.555
  255    HB2  ASP  37           HB2      ASP  37  85.681   5.853  -1.411
  256    HB3  ASP  37           HB3      ASP  37  86.705   5.770  -2.829
  257    HA   HYP  38           HA       HYP  38  88.989   1.517  -2.119
  258    HB2  HYP  38           HB2      HYP  38  90.583   3.358  -3.883
  259    HB3  HYP  38           HB3      HYP  38  90.602   1.576  -3.817
  260    HG   HYP  38           HG       HYP  38  89.338   2.965  -5.813
  261   HD22  HYP  38          HD22      HYP  38  87.910   4.331  -4.562
  262   HD23  HYP  38          HD23      HYP  38  86.839   2.915  -4.763
  263    HD1  HYP  38           HD1      HYP  38  89.238   0.704  -5.723
  264    H    GLY  39           H        GLY  39  90.641   1.668  -0.635
  265    HA2  GLY  39           HA2      GLY  39  91.140   4.130   0.835
  266    HA3  GLY  39           HA3      GLY  39  91.915   2.571   1.069
  267    H    ASP  40           H        ASP  40  93.378   4.875   1.332
  268    HA   ASP  40           HA       ASP  40  94.694   5.674  -1.083
  269    HB2  ASP  40           HB2      ASP  40  95.262   6.156   1.871
  270    HB3  ASP  40           HB3      ASP  40  96.047   7.001   0.550
  271    HA   HYP  41           HA       HYP  41  98.298   2.951  -1.228
  272    HB2  HYP  41           HB2      HYP  41  99.881   5.468  -1.651
  273    HB3  HYP  41           HB3      HYP  41  99.909   3.955  -2.595
  274    HG   HYP  41           HG       HYP  41  98.622   6.233  -3.448
  275   HD22  HYP  41          HD22      HYP  41  97.125   6.624  -1.715
  276   HD23  HYP  41          HD23      HYP  41  96.120   5.479  -2.648
  277    HD1  HYP  41           HD1      HYP  41  98.568   4.366  -4.698
  278    H    GLY  42           H        GLY  42 100.063   2.286   0.017
  279    HA2  GLY  42           HA2      GLY  42 100.346   3.390   2.704
  280    HA3  GLY  42           HA3      GLY  42 101.166   1.990   2.036
  281    H    ASP  43           H        ASP  43 102.596   3.489   3.704
  282    HA   ASP  43           HA       ASP  43 104.048   5.674   2.568
  283    HB2  ASP  43           HB2      ASP  43 104.406   3.871   4.987
  284    HB3  ASP  43           HB3      ASP  43 105.552   5.140   4.590
  285    HA   HYP  44           HA       HYP  44 107.266   3.535   0.270
  286    HB2  HYP  44           HB2      HYP  44 109.155   5.587   1.390
  287    HB3  HYP  44           HB3      HYP  44 108.913   5.094  -0.308
  288    HG   HYP  44           HG       HYP  44 107.908   7.439   0.677
  289   HD22  HYP  44          HD22      HYP  44 106.724   6.622   2.537
  290   HD23  HYP  44          HD23      HYP  44 105.426   6.588   1.308
  291    HD1  HYP  44           HD1      HYP  44 107.414   6.821  -1.431
  292    H    GLY  45           H        GLY  45 108.958   2.060   0.561
  293    HA2  GLY  45           HA2      GLY  45 109.756   1.244   3.258
  294    HA3  GLY  45           HA3      GLY  45 110.371   0.614   1.740
  295    H    ASP  46           H        ASP  46 111.986   1.148   3.963
  296    HA   ASP  46           HA       ASP  46 113.425   3.653   3.540
  297    HB2  ASP  46           HB2      ASP  46 113.533   1.385   5.528
  298    HB3  ASP  46           HB3      ASP  46 114.873   2.507   5.403
  299    HA   HYP  47           HA       HYP  47 116.697   2.466   0.865
  300    HB2  HYP  47           HB2      HYP  47 118.696   3.290   2.947
  301    HB3  HYP  47           HB3      HYP  47 118.594   3.778   1.234
  302    HG   HYP  47           HG       HYP  47 117.788   5.391   3.316
  303   HD22  HYP  47          HD22      HYP  47 116.159   4.108   4.341
  304   HD23  HYP  47          HD23      HYP  47 115.118   4.830   3.084
  305    HD1  HYP  47           HD1      HYP  47 117.624   6.076   1.174
  306    H    GLY  48           H        GLY  48 118.182   0.864   0.360
  307    HA2  GLY  48           HA2      GLY  48 118.515  -1.471   2.026
  308    HA3  GLY  48           HA3      GLY  48 119.346  -1.125   0.536
  309    H    ASP  49           H        ASP  49 120.531  -2.461   2.626
  310    HA   ASP  49           HA       ASP  49 122.104  -0.828   4.346
  311    HB2  ASP  49           HB2      ASP  49 122.353  -3.694   3.353
  312    HB3  ASP  49           HB3      ASP  49 123.385  -2.986   4.583
  313    HA   HYP  50           HA       HYP  50 125.447   0.508   1.664
  314    HB2  HYP  50           HB2      HYP  50 127.293  -0.315   3.882
  315    HB3  HYP  50           HB3      HYP  50 127.221   1.231   2.993
  316    HG   HYP  50           HG       HYP  50 126.225   0.923   5.540
  317   HD22  HYP  50          HD22      HYP  50 124.670  -0.786   5.246
  318   HD23  HYP  50          HD23      HYP  50 123.615   0.586   4.799
  319    HD1  HYP  50           HD1      HYP  50 126.065   2.898   4.456
  320    H    GLY  51           H        GLY  51 126.903  -0.349   0.221
  321    HA2  GLY  51           HA2      GLY  51 127.297  -3.213  -0.043
  322    HA3  GLY  51           HA3      GLY  51 128.134  -1.950  -0.940
  323    H    ASP  52           H        ASP  52 129.460  -4.264  -0.088
  324    HA   ASP  52           HA       ASP  52 130.795  -3.868   2.414
  325    HB2  ASP  52           HB2      ASP  52 131.061  -5.778   0.104
  326    HB3  ASP  52           HB3      ASP  52 132.307  -5.714   1.340
  327    HA   HYP  53           HA       HYP  53 134.317  -1.282   1.284
  328    HB2  HYP  53           HB2      HYP  53 135.860  -3.202   3.004
  329    HB3  HYP  53           HB3      HYP  53 135.856  -1.419   3.043
  330    HG   HYP  53           HG       HYP  53 134.529  -2.934   4.898
  331   HD22  HYP  53          HD22      HYP  53 133.164  -4.239   3.514
  332   HD23  HYP  53          HD23      HYP  53 132.069  -2.844   3.732
  333    HD1  HYP  53           HD1      HYP  53 133.102  -1.179   5.145
  334    H    GLY  54           H        GLY  54 135.930  -1.359  -0.242
  335    HA2  GLY  54           HA2      GLY  54 136.306  -3.536  -2.002
  336    HA3  GLY  54           HA3      GLY  54 137.350  -2.141  -1.856
  337    H    ASP  55           H        ASP  55 138.352  -4.509  -2.638
  338    HA   ASP  55           HA       ASP  55 139.433  -6.140  -0.565
  339    HB2  ASP  55           HB2      ASP  55 140.004  -5.721  -3.508
  340    HB3  ASP  55           HB3      ASP  55 140.995  -6.801  -2.530
  341    HA   HYP  56           HA       HYP  56 142.943  -3.770   0.891
  342    HB2  HYP  56           HB2      HYP  56 144.490  -6.336   0.752
  343    HB3  HYP  56           HB3      HYP  56 144.342  -5.184   2.107
  344    HG   HYP  56           HG       HYP  56 142.987  -7.569   2.032
  345   HD22  HYP  56          HD22      HYP  56 141.799  -7.376   0.027
  346   HD23  HYP  56          HD23      HYP  56 140.623  -6.564   1.100
  347    HD1  HYP  56           HD1      HYP  56 141.433  -6.574   3.367
  348    H    GLY  57           H        GLY  57 144.743  -2.722   0.128
  349    HA2  GLY  57           HA2      GLY  57 145.606  -2.892  -2.613
  350    HA3  GLY  57           HA3      GLY  57 146.388  -2.010  -1.320
  351    H    ASP  58           H        ASP  58 147.893  -3.109  -3.286
  352    HA   ASP  58           HA       ASP  58 149.040  -5.656  -2.490
  353    HB2  ASP  58           HB2      ASP  58 149.759  -3.505  -4.525
  354    HB3  ASP  58           HB3      ASP  58 150.644  -5.006  -4.330
  355    HA   HYP  59           HA       HYP  59 152.026  -4.294   0.433
  356    HB2  HYP  59           HB2      HYP  59 154.218  -5.667  -1.087
  357    HB3  HYP  59           HB3      HYP  59 153.765  -5.833   0.630
  358    HG   HYP  59           HG       HYP  59 153.128  -7.700  -1.294
  359   HD22  HYP  59          HD22      HYP  59 151.850  -6.462  -2.785
  360   HD23  HYP  59          HD23      HYP  59 150.542  -6.865  -1.638
  361    HD1  HYP  59           HD1      HYP  59 152.540  -7.975   0.870
  362    H    GLY  60           H        GLY  60 153.688  -2.822   0.918
  363    HA2  GLY  60           HA2      GLY  60 154.746  -0.993  -1.088
  364    HA3  GLY  60           HA3      GLY  60 155.264  -1.135   0.587
  365    H    ASP  61           H        ASP  61 157.124  -0.666  -1.302
  366    HA   ASP  61           HA       ASP  61 158.661  -3.213  -1.722
  367    HB2  ASP  61           HB2      ASP  61 157.106  -2.049  -3.738
  368    HB3  ASP  61           HB3      ASP  61 158.338  -0.857  -3.704
  369    HA   HYP  62           HA       HYP  62 161.100   0.067   0.347
  370    HB2  HYP  62           HB2      HYP  62 162.428  -2.212   1.762
  371    HB3  HYP  62           HB3      HYP  62 161.730  -0.714   2.439
  372    HG   HYP  62           HG       HYP  62 160.453  -3.095   2.686
  373   HD22  HYP  62          HD22      HYP  62 160.505  -3.730   0.377
  374   HD23  HYP  62          HD23      HYP  62 158.876  -3.027   0.515
  375    HD1  HYP  62           HD1      HYP  62 159.585  -0.863   3.112
  376    H    GLY  63           H        GLY  63 162.271  -2.655  -1.480
  377    HA2  GLY  63           HA2      GLY  63 164.445  -1.337  -2.704
  378    HA3  GLY  63           HA3      GLY  63 165.096  -2.272  -1.355
  379    HN1  NH2  64           HN1      NH2  64 166.135  -3.113  -3.586
  380    HN2  NH2  64           HN2      NH2  64 165.358  -4.554  -4.213
  381    H1   ACE  65           H1       ACE  65  77.373  -3.855   4.025
  382    H2   ACE  65           H2       ACE  65  78.806  -3.253   4.894
  383    H3   ACE  65           H3       ACE  65  78.815  -4.884   4.200
  384    HA   PRO  66           HA       PRO  66  78.872  -1.583   0.498
  385    HB2  PRO  66           HB2      PRO  66  80.134   0.614   2.139
  386    HB3  PRO  66           HB3      PRO  66  79.117   0.741   0.672
  387    HG2  PRO  66           HG3      PRO  66  78.005   1.134   3.106
  388    HG3  PRO  66           HG2      PRO  66  77.148   0.139   1.885
  389    HD2  PRO  66           HD2      PRO  66  78.803  -0.795   4.239
  390    HD3  PRO  66           HD3      PRO  66  77.226  -1.404   3.649
  391    HA   HYP  67           HA       HYP  67  82.785  -3.627   1.179
  392    HB2  HYP  67           HB2      HYP  67  83.296  -3.944   3.380
  393    HB3  HYP  67           HB3      HYP  67  84.793  -3.065   2.969
  394    HG   HYP  67           HG       HYP  67  83.158  -2.196   4.961
  395   HD22  HYP  67          HD22      HYP  67  81.596  -0.500   3.509
  396   HD23  HYP  67          HD23      HYP  67  81.110  -2.174   3.889
  397    HD1  HYP  67           HD1      HYP  67  84.897  -0.914   4.281
  398    H    GLY  68           H        GLY  68  83.884  -0.233   1.667
  399    HA2  GLY  68           HA2      GLY  68  85.148   0.116  -0.867
  400    HA3  GLY  68           HA3      GLY  68  85.494   1.037   0.594
  401    HA   PRO  69           HA       PRO  69  88.341  -2.811  -0.022
  402    HB2  PRO  69           HB2      PRO  69  89.910  -2.649  -2.277
  403    HB3  PRO  69           HB3      PRO  69  88.263  -3.349  -2.247
  404    HG2  PRO  69           HG2      PRO  69  89.081  -0.542  -3.031
  405    HG3  PRO  69           HG3      PRO  69  88.002  -1.664  -3.918
  406    HD2  PRO  69           HD2      PRO  69  86.999   0.280  -2.295
  407    HD3  PRO  69           HD3      PRO  69  86.235  -1.334  -2.387
  408    HA   HYP  70           HA       HYP  70  91.977  -0.795   1.788
  409    HB2  HYP  70           HB2      HYP  70  93.538  -3.110   0.688
  410    HB3  HYP  70           HB3      HYP  70  93.546  -2.436   2.338
  411    HG   HYP  70           HG       HYP  70  92.235  -4.762   1.665
  412   HD22  HYP  70          HD22      HYP  70  90.752  -4.044   0.026
  413   HD23  HYP  70          HD23      HYP  70  89.754  -3.632   1.451
  414    HD1  HYP  70           HD1      HYP  70  92.199  -3.931   3.776
  415    H    GLY  71           H        GLY  71  93.693   0.506   1.162
  416    HA2  GLY  71           HA2      GLY  71  94.238   0.958  -1.680
  417    HA3  GLY  71           HA3      GLY  71  95.030   1.734  -0.316
  418    HA   PRO  72           HA       PRO  72  97.583  -1.765  -2.263
  419    HB2  PRO  72           HB2      PRO  72  99.328  -0.463  -3.932
  420    HB3  PRO  72           HB3      PRO  72  97.674  -0.946  -4.416
  421    HG2  PRO  72           HG2      PRO  72  98.597   1.755  -3.390
  422    HG3  PRO  72           HG3      PRO  72  97.618   1.408  -4.853
  423    HD2  PRO  72           HD2      PRO  72  96.456   2.144  -2.499
  424    HD3  PRO  72           HD3      PRO  72  95.697   0.926  -3.567
  425    HA   HYP  73           HA       HYP  73 101.118  -1.176   0.551
  426    HB2  HYP  73           HB2      HYP  73 102.753  -2.473  -1.605
  427    HB3  HYP  73           HB3      HYP  73 102.685  -2.859   0.134
  428    HG   HYP  73           HG       HYP  73 101.449  -4.391  -1.771
  429   HD22  HYP  73          HD22      HYP  73 100.076  -2.813  -2.819
  430   HD23  HYP  73          HD23      HYP  73  98.961  -3.306  -1.511
  431    HD1  HYP  73           HD1      HYP  73 100.001  -5.026  -0.149
  432    H    GLY  74           H        GLY  74 102.875   0.228   0.806
  433    HA2  GLY  74           HA2      GLY  74 103.353   2.314  -1.144
  434    HA3  GLY  74           HA3      GLY  74 104.290   2.011   0.312
  435    HA   PRO  75           HA       PRO  75 106.498   0.618  -3.662
  436    HB2  PRO  75           HB2      PRO  75 108.254   2.675  -4.145
  437    HB3  PRO  75           HB3      PRO  75 106.563   2.661  -4.730
  438    HG2  PRO  75           HG2      PRO  75 107.653   3.984  -2.225
  439    HG3  PRO  75           HG3      PRO  75 106.610   4.710  -3.491
  440    HD2  PRO  75           HD2      PRO  75 105.556   3.721  -1.186
  441    HD3  PRO  75           HD3      PRO  75 104.714   3.509  -2.748
  442    HA   HYP  76           HA       HYP  76 110.185  -0.865  -1.445
  443    HB2  HYP  76           HB2      HYP  76 111.653  -0.389  -4.023
  444    HB3  HYP  76           HB3      HYP  76 111.632  -1.849  -3.001
  445    HG   HYP  76           HG       HYP  76 110.234  -1.641  -5.362
  446   HD22  HYP  76          HD22      HYP  76 108.875   0.201  -4.955
  447   HD23  HYP  76          HD23      HYP  76 107.820  -1.046  -4.229
  448    HD1  HYP  76           HD1      HYP  76 110.149  -3.518  -4.101
  449    H    GLY  77           H        GLY  77 112.029   0.019  -0.437
  450    HA2  GLY  77           HA2      GLY  77 112.576   2.866  -0.706
  451    HA3  GLY  77           HA3      GLY  77 113.509   1.716   0.241
  452    HA   PRO  78           HA       PRO  78 115.671   2.852  -3.812
  453    HB2  PRO  78           HB2      PRO  78 117.613   4.572  -2.533
  454    HB3  PRO  78           HB3      PRO  78 116.435   4.967  -3.812
  455    HG2  PRO  78           HG2      PRO  78 116.331   5.820  -1.096
  456    HG3  PRO  78           HG3      PRO  78 115.028   5.922  -2.304
  457    HD2  PRO  78           HD2      PRO  78 115.344   3.968  -0.093
  458    HD3  PRO  78           HD3      PRO  78 113.875   4.530  -0.935
  459    HA   HYP  79           HA       HYP  79 119.047  -0.059  -3.086
  460    HB2  HYP  79           HB2      HYP  79 120.765   1.791  -4.713
  461    HB3  HYP  79           HB3      HYP  79 120.545   0.029  -4.880
  462    HG   HYP  79           HG       HYP  79 119.362   1.843  -6.562
  463   HD22  HYP  79          HD22      HYP  79 118.148   3.162  -5.066
  464   HD23  HYP  79          HD23      HYP  79 116.931   1.879  -5.331
  465    HD1  HYP  79           HD1      HYP  79 117.787   0.266  -6.940
  466    H    GLY  80           H        GLY  80 120.793  -0.294  -1.678
  467    HA2  GLY  80           HA2      GLY  80 121.404   1.783   0.183
  468    HA3  GLY  80           HA3      GLY  80 122.275   0.259   0.023
  469    HA   PRO  81           HA       PRO  81 124.788   3.918  -1.645
  470    HB2  PRO  81           HB2      PRO  81 126.475   4.065   0.691
  471    HB3  PRO  81           HB3      PRO  81 125.487   5.343  -0.064
  472    HG2  PRO  81           HG2      PRO  81 124.958   4.024   2.409
  473    HG3  PRO  81           HG3      PRO  81 123.830   5.027   1.469
  474    HD2  PRO  81           HD2      PRO  81 123.905   2.077   1.676
  475    HD3  PRO  81           HD3      PRO  81 122.562   3.175   1.270
  476    HA   HYP  82           HA       HYP  82 128.020   0.985  -2.894
  477    HB2  HYP  82           HB2      HYP  82 129.778   3.412  -3.078
  478    HB3  HYP  82           HB3      HYP  82 129.522   2.120  -4.279
  479    HG   HYP  82           HG       HYP  82 128.393   4.607  -4.505
  480   HD22  HYP  82          HD22      HYP  82 127.183   4.767  -2.513
  481   HD23  HYP  82          HD23      HYP  82 125.954   3.931  -3.510
  482    HD1  HYP  82           HD1      HYP  82 126.798   3.625  -5.764
  483    H    GLY  83           H        GLY  83 129.766  -0.068  -1.935
  484    HA2  GLY  83           HA2      GLY  83 130.583   0.626   0.765
  485    HA3  GLY  83           HA3      GLY  83 131.293  -0.619  -0.257
  486    HA   PRO  84           HA       PRO  84 133.924   3.375  -0.184
  487    HB2  PRO  84           HB2      PRO  84 135.637   3.054   1.933
  488    HB3  PRO  84           HB3      PRO  84 134.004   3.767   2.100
  489    HG2  PRO  84           HG2      PRO  84 134.842   0.893   2.598
  490    HG3  PRO  84           HG3      PRO  84 133.895   1.968   3.677
  491    HD2  PRO  84           HD2      PRO  84 132.682   0.169   2.024
  492    HD3  PRO  84           HD3      PRO  84 131.968   1.779   2.329
  493    HA   HYP  85           HA       HYP  85 137.486   1.349  -2.163
  494    HB2  HYP  85           HB2      HYP  85 139.172   3.347  -0.687
  495    HB3  HYP  85           HB3      HYP  85 139.210   2.906  -2.416
  496    HG   HYP  85           HG       HYP  85 138.058   5.228  -1.508
  497   HD22  HYP  85          HD22      HYP  85 136.516   4.396   0.030
  498   HD23  HYP  85          HD23      HYP  85 135.485   4.331  -1.428
  499    HD1  HYP  85           HD1      HYP  85 137.982   4.727  -3.695
  500    H    GLY  86           H        GLY  86 138.962  -0.245  -1.583
  501    HA2  GLY  86           HA2      GLY  86 138.782  -1.382   1.008
  502    HA3  GLY  86           HA3      GLY  86 139.952  -1.848  -0.227
  503    HA   PRO  87           HA       PRO  87 141.999   0.293   3.432
  504    HB2  PRO  87           HB2      PRO  87 143.318  -2.133   4.276
  505    HB3  PRO  87           HB3      PRO  87 142.189  -1.094   5.185
  506    HG2  PRO  87           HG2      PRO  87 141.640  -3.694   4.157
  507    HG3  PRO  87           HG3      PRO  87 140.459  -2.511   4.766
  508    HD2  PRO  87           HD2      PRO  87 141.096  -3.193   1.951
  509    HD3  PRO  87           HD3      PRO  87 139.605  -2.521   2.665
  510    HA   HYP  88           HA       HYP  88 145.872   0.636   1.093
  511    HB2  HYP  88           HB2      HYP  88 147.167   0.901   3.787
  512    HB3  HYP  88           HB3      HYP  88 147.365   1.927   2.341
  513    HG   HYP  88           HG       HYP  88 145.852   2.687   4.497
  514   HD22  HYP  88          HD22      HYP  88 144.324   0.921   4.642
  515   HD23  HYP  88          HD23      HYP  88 143.440   1.954   3.477
  516    HD1  HYP  88           HD1      HYP  88 144.633   3.952   3.033
  517    H    GLY  89           H        GLY  89 147.585  -0.716   0.533
  518    HA2  GLY  89           HA2      GLY  89 147.487  -3.432   1.356
  519    HA3  GLY  89           HA3      GLY  89 148.784  -2.701   0.408
  520    HA   PRO  90           HA       PRO  90 150.125  -3.889   4.757
  521    HB2  PRO  90           HB2      PRO  90 151.882  -5.944   3.690
  522    HB3  PRO  90           HB3      PRO  90 150.633  -6.074   4.957
  523    HG2  PRO  90           HG2      PRO  90 150.406  -7.129   2.357
  524    HG3  PRO  90           HG3      PRO  90 149.049  -6.712   3.419
  525    HD2  PRO  90           HD2      PRO  90 150.091  -5.160   1.099
  526    HD3  PRO  90           HD3      PRO  90 148.432  -5.318   1.739
  527    HA   HYP  91           HA       HYP  91 153.828  -1.327   4.243
  528    HB2  HYP  91           HB2      HYP  91 154.791  -2.742   6.707
  529    HB3  HYP  91           HB3      HYP  91 154.743  -0.993   6.362
  530    HG   HYP  91           HG       HYP  91 152.934  -2.254   8.016
  531   HD22  HYP  91          HD22      HYP  91 151.973  -3.818   6.589
  532   HD23  HYP  91          HD23      HYP  91 150.942  -2.414   6.170
  533    HD1  HYP  91           HD1      HYP  91 152.778  -0.042   7.661
  534    H    GLY  92           H        GLY  92 155.757  -1.694   3.172
  535    HA2  GLY  92           HA2      GLY  92 156.101  -4.228   1.997
  536    HA3  GLY  92           HA3      GLY  92 157.253  -2.906   1.892
  537    HA   PRO  93           HA       PRO  93 158.685  -6.450   4.827
  538    HB2  PRO  93           HB2      PRO  93 159.916  -8.281   3.203
  539    HB3  PRO  93           HB3      PRO  93 158.177  -8.325   3.621
  540    HG2  PRO  93           HG2      PRO  93 159.460  -7.200   1.115
  541    HG3  PRO  93           HG3      PRO  93 158.036  -8.279   1.247
  542    HD2  PRO  93           HD2      PRO  93 157.798  -5.572   0.948
  543    HD3  PRO  93           HD3      PRO  93 156.645  -6.516   1.940
  544    HA   HYP  94           HA       HYP  94 162.506  -4.030   4.759
  545    HB2  HYP  94           HB2      HYP  94 163.380  -6.287   6.580
  546    HB3  HYP  94           HB3      HYP  94 163.713  -4.536   6.731
  547    HG   HYP  94           HG       HYP  94 161.719  -5.708   8.158
  548   HD22  HYP  94          HD22      HYP  94 160.560  -6.859   6.482
  549   HD23  HYP  94          HD23      HYP  94 159.674  -5.309   6.396
  550    HD1  HYP  94           HD1      HYP  94 161.966  -3.442   8.123
  551    H    GLY  95           H        GLY  95 164.061  -3.989   3.261
  552    HA2  GLY  95           HA2      GLY  95 165.903  -4.737   2.002
  553    HA3  GLY  95           HA3      GLY  95 165.526  -6.412   2.393
  554    HN1  NH2  96           HN1      NH2  96 162.539  -5.433   1.425
  555    HN2  NH2  96           HN2      NH2  96 162.698  -5.675  -0.305
  Start of MODEL    9
    1    H1   ACE   1           H1       ACE   1  77.943  16.033  -1.650
    2    H2   ACE   1           H2       ACE   1  76.439  15.282  -2.222
    3    H3   ACE   1           H3       ACE   1  76.412  16.366  -0.809
    4    HA   PRO   2           HA       PRO   2  76.565  12.710   1.763
    5    HB2  PRO   2           HB2      PRO   2  74.706  11.187  -0.072
    6    HB3  PRO   2           HB3      PRO   2  74.649  11.339   1.712
    7    HG2  PRO   2           HG2      PRO   2  72.994  12.822   0.168
    8    HG3  PRO   2           HG3      PRO   2  73.830  13.582   1.563
    9    HD2  PRO   2           HD2      PRO   2  74.563  13.716  -1.370
   10    HD3  PRO   2           HD3      PRO   2  74.543  15.021  -0.146
   11    H    LYS   3           H        LYS   3  77.700  10.807   2.064
   12    HA   LYS   3           HA       LYS   3  78.528   9.068  -0.143
   13    HB2  LYS   3           HB2      LYS   3  80.961   9.366   0.262
   14    HB3  LYS   3           HB3      LYS   3  80.187  10.780  -0.438
   15    HG2  LYS   3           HG2      LYS   3  80.186  11.922   1.741
   16    HG3  LYS   3           HG3      LYS   3  80.891  10.491   2.520
   17    HD2  LYS   3           HD2      LYS   3  82.910  10.676   1.183
   18    HD3  LYS   3           HD3      LYS   3  82.236  11.997   0.223
   19    HE2  LYS   3           HE2      LYS   3  82.670  12.163   3.241
   20    HE3  LYS   3           HE3      LYS   3  83.902  12.619   2.061
   21    HZ1  LYS   3           HZ1      LYS   3  81.222  13.892   2.273
   22    HZ2  LYS   3           HZ2      LYS   3  82.639  14.554   2.740
   23    HZ3  LYS   3           HZ3      LYS   3  82.358  14.275   1.158
   24    H    GLY   4           H        GLY   4  79.793   7.253   0.518
   25    HA2  GLY   4           HA2      GLY   4  79.348   6.324   3.338
   26    HA3  GLY   4           HA3      GLY   4  79.231   5.322   1.893
   27    HA   PRO   5           HA       PRO   5  83.381   4.927   3.933
   28    HB2  PRO   5           HB2      PRO   5  83.756   2.213   3.625
   29    HB3  PRO   5           HB3      PRO   5  82.806   2.976   4.929
   30    HG2  PRO   5           HG2      PRO   5  81.766   1.848   2.310
   31    HG3  PRO   5           HG3      PRO   5  81.164   1.529   3.970
   32    HD2  PRO   5           HD2      PRO   5  79.975   3.351   2.382
   33    HD3  PRO   5           HD3      PRO   5  80.214   3.706   4.117
   34    H    LYS   6           H        LYS   6  84.579   6.096   2.504
   35    HA   LYS   6           HA       LYS   6  85.774   5.159   0.038
   36    HB2  LYS   6           HB2      LYS   6  85.937   7.532   0.809
   37    HB3  LYS   6           HB3      LYS   6  86.726   7.012   2.294
   38    HG2  LYS   6           HG2      LYS   6  88.716   6.330   1.126
   39    HG3  LYS   6           HG3      LYS   6  87.960   6.587  -0.453
   40    HD2  LYS   6           HD2      LYS   6  87.836   8.974  -0.090
   41    HD3  LYS   6           HD3      LYS   6  88.376   8.822   1.587
   42    HE2  LYS   6           HE2      LYS   6  90.067   7.926  -0.793
   43    HE3  LYS   6           HE3      LYS   6  90.111   9.575  -0.163
   44    HZ1  LYS   6           HZ1      LYS   6  90.783   7.162   1.443
   45    HZ2  LYS   6           HZ2      LYS   6  91.868   8.229   0.821
   46    HZ3  LYS   6           HZ3      LYS   6  90.824   8.711   1.982
   47    H    GLY   7           H        GLY   7  87.644   4.008  -0.334
   48    HA2  GLY   7           HA2      GLY   7  88.169   1.810   1.401
   49    HA3  GLY   7           HA3      GLY   7  89.110   2.232  -0.025
   50    HA   PRO   8           HA       PRO   8  91.465   3.336   4.009
   51    HB2  PRO   8           HB2      PRO   8  92.766   1.027   4.713
   52    HB3  PRO   8           HB3      PRO   8  91.112   1.427   5.265
   53    HG2  PRO   8           HG2      PRO   8  91.909  -0.301   2.899
   54    HG3  PRO   8           HG3      PRO   8  90.768  -0.707   4.223
   55    HD2  PRO   8           HD2      PRO   8  89.851   0.249   1.863
   56    HD3  PRO   8           HD3      PRO   8  89.136   0.799   3.399
   57    H    LYS   9           H        LYS   9  93.686   3.703   4.185
   58    HA   LYS   9           HA       LYS   9  95.300   3.899   1.809
   59    HB2  LYS   9           HB2      LYS   9  95.410   5.438   3.777
   60    HB3  LYS   9           HB3      LYS   9  95.964   4.101   4.786
   61    HG2  LYS   9           HG2      LYS   9  98.044   3.940   3.503
   62    HG3  LYS   9           HG3      LYS   9  97.497   5.214   2.394
   63    HD2  LYS   9           HD2      LYS   9  97.519   6.856   4.191
   64    HD3  LYS   9           HD3      LYS   9  97.803   5.592   5.409
   65    HE2  LYS   9           HE2      LYS   9  99.977   5.049   4.361
   66    HE3  LYS   9           HE3      LYS   9  99.728   6.321   3.154
   67    HZ1  LYS   9           HZ1      LYS   9  99.873   6.808   6.089
   68    HZ2  LYS   9           HZ2      LYS   9 101.129   7.000   5.060
   69    HZ3  LYS   9           HZ3      LYS   9  99.798   7.961   4.924
   70    H    GLY  10           H        GLY  10  97.044   2.737   1.102
   71    HA2  GLY  10           HA2      GLY  10  97.177  -0.090   1.767
   72    HA3  GLY  10           HA3      GLY  10  98.176   0.763   0.603
   73    HA   PRO  11           HA       PRO  11 100.602  -0.285   4.559
   74    HB2  PRO  11           HB2      PRO  11 101.986  -2.525   3.835
   75    HB3  PRO  11           HB3      PRO  11 100.304  -2.587   4.443
   76    HG2  PRO  11           HG2      PRO  11 101.231  -2.560   1.550
   77    HG3  PRO  11           HG3      PRO  11 100.100  -3.714   2.330
   78    HD2  PRO  11           HD2      PRO  11  99.180  -1.569   0.936
   79    HD3  PRO  11           HD3      PRO  11  98.381  -2.093   2.446
   80    H    LYS  12           H        LYS  12 102.875  -0.038   4.915
   81    HA   LYS  12           HA       LYS  12 104.330   1.656   3.155
   82    HB2  LYS  12           HB2      LYS  12 104.647   1.389   5.654
   83    HB3  LYS  12           HB3      LYS  12 105.445  -0.159   5.333
   84    HG2  LYS  12           HG2      LYS  12 107.084   1.132   3.866
   85    HG3  LYS  12           HG3      LYS  12 106.326   2.616   4.408
   86    HD2  LYS  12           HD2      LYS  12 108.316   2.311   5.682
   87    HD3  LYS  12           HD3      LYS  12 106.962   1.987   6.780
   88    HE2  LYS  12           HE2      LYS  12 107.277  -0.444   6.480
   89    HE3  LYS  12           HE3      LYS  12 108.530  -0.157   5.260
   90    HZ1  LYS  12           HZ1      LYS  12 108.765   0.697   8.104
   91    HZ2  LYS  12           HZ2      LYS  12 109.442  -0.657   7.490
   92    HZ3  LYS  12           HZ3      LYS  12 109.946   0.801   6.959
   93    H    GLY  13           H        GLY  13 105.890   1.325   1.640
   94    HA2  GLY  13           HA2      GLY  13 105.960  -1.125   0.144
   95    HA3  GLY  13           HA3      GLY  13 106.991   0.281  -0.104
   96    HA   PRO  14           HA       PRO  14 109.371  -3.390   1.729
   97    HB2  PRO  14           HB2      PRO  14 110.666  -4.397  -0.456
   98    HB3  PRO  14           HB3      PRO  14 108.983  -4.839  -0.038
   99    HG2  PRO  14           HG2      PRO  14 109.914  -2.727  -2.006
  100    HG3  PRO  14           HG3      PRO  14 108.716  -4.033  -2.280
  101    HD2  PRO  14           HD2      PRO  14 107.932  -1.511  -1.613
  102    HD3  PRO  14           HD3      PRO  14 107.086  -2.944  -0.964
  103    H    LYS  15           H        LYS  15 111.506  -3.362   2.353
  104    HA   LYS  15           HA       LYS  15 113.091  -1.008   2.194
  105    HB2  LYS  15           HB2      LYS  15 113.209  -2.743   3.989
  106    HB3  LYS  15           HB3      LYS  15 113.867  -3.894   2.822
  107    HG2  LYS  15           HG2      LYS  15 115.888  -2.514   2.551
  108    HG3  LYS  15           HG3      LYS  15 115.229  -1.292   3.660
  109    HD2  LYS  15           HD2      LYS  15 115.316  -2.841   5.527
  110    HD3  LYS  15           HD3      LYS  15 115.606  -4.209   4.448
  111    HE2  LYS  15           HE2      LYS  15 117.678  -3.735   5.478
  112    HE3  LYS  15           HE3      LYS  15 117.804  -3.247   3.790
  113    HZ1  LYS  15           HZ1      LYS  15 117.345  -1.397   6.078
  114    HZ2  LYS  15           HZ2      LYS  15 118.774  -1.653   5.316
  115    HZ3  LYS  15           HZ3      LYS  15 117.532  -0.918   4.508
  116    H    GLY  16           H        GLY  16 114.783  -0.367   0.937
  117    HA2  GLY  16           HA2      GLY  16 114.943  -1.302  -1.770
  118    HA3  GLY  16           HA3      GLY  16 115.989  -0.103  -1.020
  119    HA   PRO  17           HA       PRO  17 118.216  -4.254  -1.665
  120    HB2  PRO  17           HB2      PRO  17 119.453  -3.992  -4.077
  121    HB3  PRO  17           HB3      PRO  17 117.744  -4.498  -3.923
  122    HG2  PRO  17           HG2      PRO  17 118.812  -1.715  -4.484
  123    HG3  PRO  17           HG3      PRO  17 117.532  -2.605  -5.370
  124    HD2  PRO  17           HD2      PRO  17 116.956  -0.777  -3.413
  125    HD3  PRO  17           HD3      PRO  17 115.963  -2.246  -3.657
  126    H    LYS  18           H        LYS  18 120.440  -4.656  -1.370
  127    HA   LYS  18           HA       LYS  18 121.986  -2.676  -0.037
  128    HB2  LYS  18           HB2      LYS  18 122.096  -5.159   0.256
  129    HB3  LYS  18           HB3      LYS  18 122.897  -5.292  -1.318
  130    HG2  LYS  18           HG2      LYS  18 124.778  -3.937  -0.478
  131    HG3  LYS  18           HG3      LYS  18 123.962  -3.740   1.089
  132    HD2  LYS  18           HD2      LYS  18 124.072  -6.189   1.450
  133    HD3  LYS  18           HD3      LYS  18 124.843  -6.390  -0.142
  134    HE2  LYS  18           HE2      LYS  18 126.713  -4.907   0.610
  135    HE3  LYS  18           HE3      LYS  18 125.975  -4.799   2.213
  136    HZ1  LYS  18           HZ1      LYS  18 126.842  -7.345   0.939
  137    HZ2  LYS  18           HZ2      LYS  18 127.749  -6.531   2.003
  138    HZ3  LYS  18           HZ3      LYS  18 126.308  -7.180   2.486
  139    H    GLY  19           H        GLY  19 123.782  -1.482  -0.581
  140    HA2  GLY  19           HA2      GLY  19 123.888  -0.386  -3.229
  141    HA3  GLY  19           HA3      GLY  19 124.995  -0.027  -1.910
  142    HA   PRO  20           HA       PRO  20 127.085  -2.598  -5.309
  143    HB2  PRO  20           HB2      PRO  20 128.455  -0.706  -6.728
  144    HB3  PRO  20           HB3      PRO  20 126.737  -1.098  -7.035
  145    HG2  PRO  20           HG2      PRO  20 127.854   1.171  -5.359
  146    HG3  PRO  20           HG3      PRO  20 126.605   1.257  -6.641
  147    HD2  PRO  20           HD2      PRO  20 125.935   1.107  -4.000
  148    HD3  PRO  20           HD3      PRO  20 124.972   0.280  -5.255
  149    H    LYS  21           H        LYS  21 129.171  -3.358  -5.213
  150    HA   LYS  21           HA       LYS  21 130.803  -2.855  -2.920
  151    HB2  LYS  21           HB2      LYS  21 130.654  -5.037  -4.131
  152    HB3  LYS  21           HB3      LYS  21 131.348  -4.292  -5.567
  153    HG2  LYS  21           HG2      LYS  21 133.483  -3.997  -4.514
  154    HG3  LYS  21           HG3      LYS  21 132.855  -4.468  -2.926
  155    HD2  LYS  21           HD2      LYS  21 132.425  -6.736  -3.700
  156    HD3  LYS  21           HD3      LYS  21 132.868  -6.319  -5.360
  157    HE2  LYS  21           HE2      LYS  21 134.776  -6.150  -2.977
  158    HE3  LYS  21           HE3      LYS  21 134.628  -7.563  -4.028
  159    HZ1  LYS  21           HZ1      LYS  21 135.472  -4.861  -4.946
  160    HZ2  LYS  21           HZ2      LYS  21 136.444  -6.176  -4.778
  161    HZ3  LYS  21           HZ3      LYS  21 135.276  -6.168  -5.918
  162    H    GLY  22           H        GLY  22 132.761  -1.891  -2.603
  163    HA2  GLY  22           HA2      GLY  22 133.275   0.505  -4.164
  164    HA3  GLY  22           HA3      GLY  22 134.124  -0.013  -2.718
  165    HA   PRO  23           HA       PRO  23 136.726  -0.740  -6.623
  166    HB2  PRO  23           HB2      PRO  23 138.230   1.515  -6.850
  167    HB3  PRO  23           HB3      PRO  23 136.545   1.431  -7.446
  168    HG2  PRO  23           HG2      PRO  23 137.518   2.522  -4.783
  169    HG3  PRO  23           HG3      PRO  23 136.441   3.323  -5.973
  170    HD2  PRO  23           HD2      PRO  23 135.445   1.963  -3.825
  171    HD3  PRO  23           HD3      PRO  23 134.626   1.935  -5.413
  172    H    LYS  24           H        LYS  24 138.974  -1.212  -6.777
  173    HA   LYS  24           HA       LYS  24 140.299  -2.205  -4.473
  174    HB2  LYS  24           HB2      LYS  24 140.606  -2.989  -6.827
  175    HB3  LYS  24           HB3      LYS  24 141.374  -1.453  -7.229
  176    HG2  LYS  24           HG2      LYS  24 143.245  -1.941  -5.727
  177    HG3  LYS  24           HG3      LYS  24 142.463  -3.442  -5.189
  178    HD2  LYS  24           HD2      LYS  24 142.632  -4.383  -7.439
  179    HD3  LYS  24           HD3      LYS  24 143.226  -2.836  -8.084
  180    HE2  LYS  24           HE2      LYS  24 145.229  -2.990  -6.640
  181    HE3  LYS  24           HE3      LYS  24 144.659  -4.543  -5.998
  182    HZ1  LYS  24           HZ1      LYS  24 145.324  -4.013  -8.853
  183    HZ2  LYS  24           HZ2      LYS  24 146.280  -4.821  -7.798
  184    HZ3  LYS  24           HZ3      LYS  24 144.835  -5.458  -8.248
  185    H    GLY  25           H        GLY  25 141.936  -1.498  -3.181
  186    HA2  GLY  25           HA2      GLY  25 142.288   1.343  -2.778
  187    HA3  GLY  25           HA3      GLY  25 143.099   0.048  -1.909
  188    HA   PRO  26           HA       PRO  26 145.993   2.244  -4.965
  189    HB2  PRO  26           HB2      PRO  26 147.370   3.983  -3.373
  190    HB3  PRO  26           HB3      PRO  26 145.759   4.364  -4.057
  191    HG2  PRO  26           HG2      PRO  26 146.391   3.267  -1.299
  192    HG3  PRO  26           HG3      PRO  26 145.371   4.685  -1.711
  193    HD2  PRO  26           HD2      PRO  26 144.269   2.238  -1.249
  194    HD3  PRO  26           HD3      PRO  26 143.627   3.314  -2.520
  195    H    LYS  27           H        LYS  27 148.251   1.959  -5.229
  196    HA   LYS  27           HA       LYS  27 149.458  -0.377  -4.160
  197    HB2  LYS  27           HB2      LYS  27 149.967   0.741  -6.338
  198    HB3  LYS  27           HB3      LYS  27 150.784   2.045  -5.463
  199    HG2  LYS  27           HG2      LYS  27 152.461   0.442  -4.608
  200    HG3  LYS  27           HG3      LYS  27 151.592  -0.900  -5.387
  201    HD2  LYS  27           HD2      LYS  27 151.995   0.122  -7.608
  202    HD3  LYS  27           HD3      LYS  27 152.837   1.483  -6.838
  203    HE2  LYS  27           HE2      LYS  27 154.526  -0.092  -5.911
  204    HE3  LYS  27           HE3      LYS  27 153.685  -1.448  -6.677
  205    HZ1  LYS  27           HZ1      LYS  27 154.930   0.830  -8.143
  206    HZ2  LYS  27           HZ2      LYS  27 155.548  -0.679  -8.046
  207    HZ3  LYS  27           HZ3      LYS  27 154.151  -0.422  -8.848
  208    H    GLY  28           H        GLY  28 150.921  -0.784  -2.568
  209    HA2  GLY  28           HA2      GLY  28 150.822   0.784  -0.217
  210    HA3  GLY  28           HA3      GLY  28 151.905  -0.577  -0.483
  211    HA   PRO  29           HA       PRO  29 154.167   3.639  -0.408
  212    HB2  PRO  29           HB2      PRO  29 155.057   3.809   2.185
  213    HB3  PRO  29           HB3      PRO  29 153.455   4.397   1.649
  214    HG2  PRO  29           HG2      PRO  29 154.126   1.733   2.927
  215    HG3  PRO  29           HG3      PRO  29 152.825   2.880   3.386
  216    HD2  PRO  29           HD2      PRO  29 152.318   0.734   1.795
  217    HD3  PRO  29           HD3      PRO  29 151.526   2.303   1.499
  218    H    LYS  30           H        LYS  30 156.390   3.914  -0.526
  219    HA   LYS  30           HA       LYS  30 158.156   1.523  -0.119
  220    HB2  LYS  30           HB2      LYS  30 158.995   1.738  -2.377
  221    HB3  LYS  30           HB3      LYS  30 157.243   1.549  -2.407
  222    HG2  LYS  30           HG2      LYS  30 156.951   3.974  -2.792
  223    HG3  LYS  30           HG3      LYS  30 158.705   4.215  -2.682
  224    HD2  LYS  30           HD2      LYS  30 159.045   2.800  -4.683
  225    HD3  LYS  30           HD3      LYS  30 157.310   2.470  -4.754
  226    HE2  LYS  30           HE2      LYS  30 157.838   4.142  -6.403
  227    HE3  LYS  30           HE3      LYS  30 156.835   4.866  -5.144
  228    HZ1  LYS  30           HZ1      LYS  30 159.798   5.152  -5.316
  229    HZ2  LYS  30           HZ2      LYS  30 158.725   6.282  -5.796
  230    HZ3  LYS  30           HZ3      LYS  30 158.833   5.897  -4.218
  231    H    GLY  31           H        GLY  31 157.891   4.556   0.915
  232    HA2  GLY  31           HA2      GLY  31 160.643   4.894   1.642
  233    HA3  GLY  31           HA3      GLY  31 160.253   5.954   0.286
  234    HN1  NH2  32           HN1      NH2  32 161.027   7.329   2.384
  235    HN2  NH2  32           HN2      NH2  32 159.683   8.019   3.273
  236    H1   ACE  33           H1       ACE  33  81.487  -1.767  -4.657
  237    H2   ACE  33           H2       ACE  33  83.047  -1.172  -4.053
  238    H3   ACE  33           H3       ACE  33  81.665  -1.330  -2.942
  239    H    ASP  34           H        ASP  34  79.747  -0.308  -4.867
  240    HA   ASP  34           HA       ASP  34  80.361   2.256  -5.861
  241    HB2  ASP  34           HB2      ASP  34  77.714   1.047  -4.993
  242    HB3  ASP  34           HB3      ASP  34  77.863   2.588  -5.829
  243    HA   HYP  35           HA       HYP  35  78.347   4.094  -1.782
  244    HB2  HYP  35           HB2      HYP  35  80.067   2.534   0.146
  245    HB3  HYP  35           HB3      HYP  35  78.460   3.269   0.426
  246    HG   HYP  35           HG       HYP  35  78.724   0.621  -0.088
  247   HD22  HYP  35          HD22      HYP  35  80.029   0.653  -2.012
  248   HD23  HYP  35          HD23      HYP  35  78.428   0.694  -2.795
  249    HD1  HYP  35           HD1      HYP  35  76.825   2.221  -1.510
  250    H    GLY  36           H        GLY  36  81.804   3.481  -2.330
  251    HA2  GLY  36           HA2      GLY  36  82.371   6.308  -1.887
  252    HA3  GLY  36           HA3      GLY  36  83.094   5.270  -0.663
  253    H    ASP  37           H        ASP  37  84.690   6.849  -2.109
  254    HA   ASP  37           HA       ASP  37  85.645   5.794  -4.586
  255    HB2  ASP  37           HB2      ASP  37  86.673   7.854  -2.593
  256    HB3  ASP  37           HB3      ASP  37  87.477   7.528  -4.114
  257    HA   HYP  38           HA       HYP  38  89.031   3.029  -3.495
  258    HB2  HYP  38           HB2      HYP  38  90.840   4.840  -5.065
  259    HB3  HYP  38           HB3      HYP  38  90.660   3.068  -5.170
  260    HG   HYP  38           HG       HYP  38  89.573   4.808  -7.008
  261   HD22  HYP  38          HD22      HYP  38  88.191   6.120  -5.699
  262   HD23  HYP  38          HD23      HYP  38  87.041   4.778  -5.947
  263    HD1  HYP  38           HD1      HYP  38  89.306   2.566  -7.181
  264    H    GLY  39           H        GLY  39  90.927   2.866  -2.227
  265    HA2  GLY  39           HA2      GLY  39  91.520   5.124  -0.409
  266    HA3  GLY  39           HA3      GLY  39  92.066   3.461  -0.249
  267    H    ASP  40           H        ASP  40  93.754   5.601   0.209
  268    HA   ASP  40           HA       ASP  40  95.246   6.381  -2.110
  269    HB2  ASP  40           HB2      ASP  40  95.612   6.787   0.882
  270    HB3  ASP  40           HB3      ASP  40  96.616   7.537  -0.349
  271    HA   HYP  41           HA       HYP  41  98.670   3.418  -2.128
  272    HB2  HYP  41           HB2      HYP  41 100.394   5.852  -2.481
  273    HB3  HYP  41           HB3      HYP  41 100.392   4.335  -3.419
  274    HG   HYP  41           HG       HYP  41  99.265   6.671  -4.339
  275   HD22  HYP  41          HD22      HYP  41  97.703   7.143  -2.685
  276   HD23  HYP  41          HD23      HYP  41  96.689   6.044  -3.663
  277    HD1  HYP  41           HD1      HYP  41  99.188   4.796  -5.582
  278    H    GLY  42           H        GLY  42 100.259   2.655  -0.726
  279    HA2  GLY  42           HA2      GLY  42 100.531   3.785   1.930
  280    HA3  GLY  42           HA3      GLY  42 101.409   2.413   1.272
  281    H    ASP  43           H        ASP  43 102.777   3.978   2.959
  282    HA   ASP  43           HA       ASP  43 104.259   6.100   1.665
  283    HB2  ASP  43           HB2      ASP  43 104.387   4.643   4.316
  284    HB3  ASP  43           HB3      ASP  43 105.689   5.715   3.826
  285    HA   HYP  44           HA       HYP  44 107.546   3.828  -0.251
  286    HB2  HYP  44           HB2      HYP  44 109.529   5.733   0.928
  287    HB3  HYP  44           HB3      HYP  44 109.270   5.289  -0.780
  288    HG   HYP  44           HG       HYP  44 108.439   7.686   0.292
  289   HD22  HYP  44          HD22      HYP  44 107.042   6.937   2.009
  290   HD23  HYP  44          HD23      HYP  44 105.846   6.990   0.684
  291    HD1  HYP  44           HD1      HYP  44 108.056   7.172  -1.881
  292    H    GLY  45           H        GLY  45 109.102   2.270   0.121
  293    HA2  GLY  45           HA2      GLY  45 109.650   1.218   2.750
  294    HA3  GLY  45           HA3      GLY  45 110.425   0.766   1.252
  295    H    ASP  46           H        ASP  46 111.709   0.894   3.734
  296    HA   ASP  46           HA       ASP  46 113.253   3.285   4.074
  297    HB2  ASP  46           HB2      ASP  46 113.485   0.415   5.060
  298    HB3  ASP  46           HB3      ASP  46 114.620   1.675   5.516
  299    HA   HYP  47           HA       HYP  47 116.534   2.725   1.067
  300    HB2  HYP  47           HB2      HYP  47 118.451   3.378   3.282
  301    HB3  HYP  47           HB3      HYP  47 118.343   4.084   1.648
  302    HG   HYP  47           HG       HYP  47 117.423   5.375   3.883
  303   HD22  HYP  47          HD22      HYP  47 115.900   3.818   4.738
  304   HD23  HYP  47          HD23      HYP  47 114.796   4.660   3.614
  305    HD1  HYP  47           HD1      HYP  47 116.087   6.517   2.505
  306    H    GLY  48           H        GLY  48 118.164   1.304   0.400
  307    HA2  GLY  48           HA2      GLY  48 118.596  -1.194   1.839
  308    HA3  GLY  48           HA3      GLY  48 119.408  -0.656   0.374
  309    H    ASP  49           H        ASP  49 120.754  -2.016   2.412
  310    HA   ASP  49           HA       ASP  49 122.233  -0.141   4.067
  311    HB2  ASP  49           HB2      ASP  49 122.266  -3.127   3.586
  312    HB3  ASP  49           HB3      ASP  49 123.584  -2.355   4.443
  313    HA   HYP  50           HA       HYP  50 125.619   0.955   1.483
  314    HB2  HYP  50           HB2      HYP  50 127.522  -0.009   3.592
  315    HB3  HYP  50           HB3      HYP  50 127.464   1.571   2.766
  316    HG   HYP  50           HG       HYP  50 126.550   1.200   5.331
  317   HD22  HYP  50          HD22      HYP  50 124.960  -0.473   5.026
  318   HD23  HYP  50          HD23      HYP  50 123.914   0.936   4.696
  319    HD1  HYP  50           HD1      HYP  50 126.391   3.214   4.314
  320    H    GLY  51           H        GLY  51 127.054   0.174  -0.013
  321    HA2  GLY  51           HA2      GLY  51 127.254  -2.635  -0.589
  322    HA3  GLY  51           HA3      GLY  51 128.177  -1.344  -1.340
  323    H    ASP  52           H        ASP  52 129.236  -3.887  -0.835
  324    HA   ASP  52           HA       ASP  52 130.694  -4.038   1.593
  325    HB2  ASP  52           HB2      ASP  52 130.956  -5.416  -1.101
  326    HB3  ASP  52           HB3      ASP  52 131.888  -5.853   0.322
  327    HA   HYP  53           HA       HYP  53 134.293  -1.463   0.772
  328    HB2  HYP  53           HB2      HYP  53 135.849  -3.654   2.113
  329    HB3  HYP  53           HB3      HYP  53 135.874  -1.900   2.439
  330    HG   HYP  53           HG       HYP  53 134.567  -3.669   4.064
  331   HD22  HYP  53          HD22      HYP  53 133.164  -4.735   2.513
  332   HD23  HYP  53          HD23      HYP  53 132.086  -3.393   2.993
  333    HD1  HYP  53           HD1      HYP  53 133.159  -1.957   4.599
  334    H    GLY  54           H        GLY  54 136.022  -1.305  -0.659
  335    HA2  GLY  54           HA2      GLY  54 136.320  -3.278  -2.748
  336    HA3  GLY  54           HA3      GLY  54 137.290  -1.830  -2.515
  337    H    ASP  55           H        ASP  55 138.474  -4.088  -3.485
  338    HA   ASP  55           HA       ASP  55 139.697  -5.762  -1.520
  339    HB2  ASP  55           HB2      ASP  55 140.278  -5.120  -4.439
  340    HB3  ASP  55           HB3      ASP  55 141.173  -6.308  -3.513
  341    HA   HYP  56           HA       HYP  56 143.256  -3.274  -0.243
  342    HB2  HYP  56           HB2      HYP  56 144.827  -5.807  -0.580
  343    HB3  HYP  56           HB3      HYP  56 144.784  -4.688   0.809
  344    HG   HYP  56           HG       HYP  56 143.484  -7.104   0.802
  345   HD22  HYP  56          HD22      HYP  56 142.095  -6.891  -1.063
  346   HD23  HYP  56          HD23      HYP  56 141.012  -6.128   0.136
  347    HD1  HYP  56           HD1      HYP  56 142.099  -6.218   2.343
  348    H    GLY  57           H        GLY  57 144.964  -2.190  -1.209
  349    HA2  GLY  57           HA2      GLY  57 145.556  -2.474  -4.029
  350    HA3  GLY  57           HA3      GLY  57 146.444  -1.505  -2.867
  351    H    ASP  58           H        ASP  58 147.829  -2.815  -4.870
  352    HA   ASP  58           HA       ASP  58 148.977  -5.299  -3.882
  353    HB2  ASP  58           HB2      ASP  58 149.516  -3.401  -6.183
  354    HB3  ASP  58           HB3      ASP  58 150.664  -4.659  -5.773
  355    HA   HYP  59           HA       HYP  59 152.147  -3.823  -1.201
  356    HB2  HYP  59           HB2      HYP  59 154.182  -5.362  -2.777
  357    HB3  HYP  59           HB3      HYP  59 153.857  -5.396  -1.024
  358    HG   HYP  59           HG       HYP  59 153.030  -7.369  -2.772
  359   HD22  HYP  59          HD22      HYP  59 151.629  -6.228  -4.215
  360   HD23  HYP  59          HD23      HYP  59 150.433  -6.478  -2.913
  361    HD1  HYP  59           HD1      HYP  59 152.621  -7.527  -0.565
  362    H    GLY  60           H        GLY  60 153.911  -2.407  -0.953
  363    HA2  GLY  60           HA2      GLY  60 154.679  -0.598  -3.080
  364    HA3  GLY  60           HA3      GLY  60 155.467  -0.768  -1.512
  365    H    ASP  61           H        ASP  61 157.030  -0.267  -3.680
  366    HA   ASP  61           HA       ASP  61 158.005  -2.546  -5.097
  367    HB2  ASP  61           HB2      ASP  61 158.462   0.191  -5.447
  368    HB3  ASP  61           HB3      ASP  61 159.701  -0.101  -4.269
  369    HA   HYP  62           HA       HYP  62 160.382  -4.442  -1.830
  370    HB2  HYP  62           HB2      HYP  62 161.457  -6.563  -3.126
  371    HB3  HYP  62           HB3      HYP  62 159.696  -6.394  -2.870
  372    HG   HYP  62           HG       HYP  62 161.303  -5.678  -5.350
  373   HD22  HYP  62          HD22      HYP  62 159.806  -3.966  -5.838
  374   HD23  HYP  62          HD23      HYP  62 158.464  -4.749  -4.952
  375    HD1  HYP  62           HD1      HYP  62 159.604  -6.870  -6.319
  376    H    GLY  63           H        GLY  63 161.918  -2.742  -4.395
  377    HA2  GLY  63           HA2      GLY  63 163.871  -1.505  -3.410
  378    HA3  GLY  63           HA3      GLY  63 164.627  -3.074  -3.139
  379    HN1  NH2  64           HN1      NH2  64 163.601  -4.104  -5.839
  380    HN2  NH2  64           HN2      NH2  64 164.686  -3.355  -6.996
  381    H1   ACE  65           H1       ACE  65  80.309  -5.824   0.634
  382    H2   ACE  65           H2       ACE  65  81.670  -5.455   1.722
  383    H3   ACE  65           H3       ACE  65  81.971  -5.786   0.003
  384    HA   PRO  66           HA       PRO  66  79.596  -1.495   0.240
  385    HB2  PRO  66           HB2      PRO  66  80.189  -0.839   3.123
  386    HB3  PRO  66           HB3      PRO  66  78.793  -0.360   2.117
  387    HG2  PRO  66           HG2      PRO  66  78.578  -2.398   3.898
  388    HG3  PRO  66           HG3      PRO  66  77.825  -2.523   2.276
  389    HD2  PRO  66           HD2      PRO  66  80.411  -3.744   3.246
  390    HD3  PRO  66           HD3      PRO  66  79.136  -4.453   2.214
  391    HA   HYP  67           HA       HYP  67  83.672   0.803   1.707
  392    HB2  HYP  67           HB2      HYP  67  85.527  -1.565   1.621
  393    HB3  HYP  67           HB3      HYP  67  85.652  -0.073   2.596
  394    HG   HYP  67           HG       HYP  67  84.761  -2.403   3.678
  395   HD22  HYP  67          HD22      HYP  67  83.096  -2.976   2.139
  396   HD23  HYP  67          HD23      HYP  67  82.094  -2.054   3.292
  397    HD1  HYP  67           HD1      HYP  67  83.534  -1.169   5.113
  398    H    GLY  68           H        GLY  68  84.662   1.886   0.069
  399    HA2  GLY  68           HA2      GLY  68  84.889   0.946  -2.624
  400    HA3  GLY  68           HA3      GLY  68  85.755   2.322  -1.937
  401    HA   PRO  69           HA       PRO  69  88.388  -1.553  -2.737
  402    HB2  PRO  69           HB2      PRO  69  89.876  -0.301  -4.871
  403    HB3  PRO  69           HB3      PRO  69  88.957  -1.829  -4.867
  404    HG2  PRO  69           HG2      PRO  69  88.173   0.564  -6.156
  405    HG3  PRO  69           HG3      PRO  69  87.107  -0.783  -5.713
  406    HD2  PRO  69           HD2      PRO  69  87.387   1.837  -4.348
  407    HD3  PRO  69           HD3      PRO  69  85.997   0.724  -4.445
  408    HA   HYP  70           HA       HYP  70  91.516   0.289  -0.002
  409    HB2  HYP  70           HB2      HYP  70  92.962  -2.272  -0.594
  410    HB3  HYP  70           HB3      HYP  70  92.662  -1.498   0.982
  411    HG   HYP  70           HG       HYP  70  91.243  -3.672   0.075
  412   HD22  HYP  70          HD22      HYP  70  90.293  -2.884  -1.895
  413   HD23  HYP  70          HD23      HYP  70  89.072  -2.229  -0.759
  414    HD1  HYP  70           HD1      HYP  70  89.553  -2.953   1.433
  415    H    GLY  71           H        GLY  71  93.566   1.225  -0.114
  416    HA2  GLY  71           HA2      GLY  71  94.569   1.814  -2.765
  417    HA3  GLY  71           HA3      GLY  71  95.237   2.368  -1.237
  418    HA   PRO  72           HA       PRO  72  97.706  -1.236  -3.151
  419    HB2  PRO  72           HB2      PRO  72  99.555  -0.062  -4.793
  420    HB3  PRO  72           HB3      PRO  72  97.886  -0.437  -5.320
  421    HG2  PRO  72           HG2      PRO  72  98.958   2.204  -4.280
  422    HG3  PRO  72           HG3      PRO  72  98.011   1.912  -5.776
  423    HD2  PRO  72           HD2      PRO  72  96.820   2.736  -3.464
  424    HD3  PRO  72           HD3      PRO  72  96.019   1.574  -4.563
  425    HA   HYP  73           HA       HYP  73 101.213  -0.792  -0.294
  426    HB2  HYP  73           HB2      HYP  73 102.887  -2.006  -2.472
  427    HB3  HYP  73           HB3      HYP  73 102.782  -2.465  -0.751
  428    HG   HYP  73           HG       HYP  73 101.568  -3.906  -2.750
  429   HD22  HYP  73          HD22      HYP  73 100.229  -2.280  -3.748
  430   HD23  HYP  73          HD23      HYP  73  99.085  -2.814  -2.484
  431    HD1  HYP  73           HD1      HYP  73 101.329  -4.518  -0.596
  432    H    GLY  74           H        GLY  74 102.967   0.608   0.052
  433    HA2  GLY  74           HA2      GLY  74 103.353   2.811  -1.760
  434    HA3  GLY  74           HA3      GLY  74 104.314   2.472  -0.326
  435    HA   PRO  75           HA       PRO  75 106.645   1.555  -4.338
  436    HB2  PRO  75           HB2      PRO  75 108.405   3.827  -4.045
  437    HB3  PRO  75           HB3      PRO  75 107.285   3.436  -5.375
  438    HG2  PRO  75           HG2      PRO  75 106.973   5.505  -3.434
  439    HG3  PRO  75           HG3      PRO  75 105.751   4.916  -4.585
  440    HD2  PRO  75           HD2      PRO  75 105.968   4.352  -1.692
  441    HD3  PRO  75           HD3      PRO  75 104.561   4.256  -2.780
  442    HA   HYP  76           HA       HYP  76 110.094  -0.341  -2.070
  443    HB2  HYP  76           HB2      HYP  76 111.705   0.246  -4.536
  444    HB3  HYP  76           HB3      HYP  76 111.559  -1.284  -3.632
  445    HG   HYP  76           HG       HYP  76 110.273  -0.824  -6.020
  446   HD22  HYP  76          HD22      HYP  76 109.005   1.066  -5.535
  447   HD23  HYP  76          HD23      HYP  76 107.864  -0.175  -4.937
  448    HD1  HYP  76           HD1      HYP  76 109.998  -2.776  -4.928
  449    H    GLY  77           H        GLY  77 111.931   0.296  -0.909
  450    HA2  GLY  77           HA2      GLY  77 112.704   3.100  -0.810
  451    HA3  GLY  77           HA3      GLY  77 113.511   1.763   0.001
  452    HA   PRO  78           HA       PRO  78 115.841   3.211  -3.891
  453    HB2  PRO  78           HB2      PRO  78 117.750   4.918  -2.910
  454    HB3  PRO  78           HB3      PRO  78 116.096   5.443  -3.346
  455    HG2  PRO  78           HG2      PRO  78 117.142   4.686  -0.598
  456    HG3  PRO  78           HG3      PRO  78 116.226   6.157  -1.063
  457    HD2  PRO  78           HD2      PRO  78 114.982   3.990   0.022
  458    HD3  PRO  78           HD3      PRO  78 114.208   4.946  -1.276
  459    HA   HYP  79           HA       HYP  79 119.259   0.313  -3.172
  460    HB2  HYP  79           HB2      HYP  79 120.930   2.231  -4.769
  461    HB3  HYP  79           HB3      HYP  79 120.769   0.465  -4.953
  462    HG   HYP  79           HG       HYP  79 119.531   2.253  -6.631
  463   HD22  HYP  79          HD22      HYP  79 118.291   3.526  -5.118
  464   HD23  HYP  79          HD23      HYP  79 117.097   2.228  -5.405
  465    HD1  HYP  79           HD1      HYP  79 119.237   0.020  -6.863
  466    H    GLY  80           H        GLY  80 120.989   0.132  -1.727
  467    HA2  GLY  80           HA2      GLY  80 121.546   2.245   0.120
  468    HA3  GLY  80           HA3      GLY  80 122.458   0.747  -0.029
  469    HA   PRO  81           HA       PRO  81 124.884   4.462  -1.704
  470    HB2  PRO  81           HB2      PRO  81 126.626   4.600   0.600
  471    HB3  PRO  81           HB3      PRO  81 125.559   5.857  -0.079
  472    HG2  PRO  81           HG2      PRO  81 125.167   4.411   2.353
  473    HG3  PRO  81           HG3      PRO  81 123.999   5.467   1.526
  474    HD2  PRO  81           HD2      PRO  81 124.073   2.515   1.596
  475    HD3  PRO  81           HD3      PRO  81 122.726   3.626   1.236
  476    HA   HYP  82           HA       HYP  82 128.183   1.725  -3.099
  477    HB2  HYP  82           HB2      HYP  82 130.041   4.069  -2.847
  478    HB3  HYP  82           HB3      HYP  82 129.804   2.971  -4.231
  479    HG   HYP  82           HG       HYP  82 128.769   5.518  -4.142
  480   HD22  HYP  82          HD22      HYP  82 127.453   5.445  -2.224
  481   HD23  HYP  82          HD23      HYP  82 126.261   4.793  -3.387
  482    HD1  HYP  82           HD1      HYP  82 128.382   4.213  -5.924
  483    H    GLY  83           H        GLY  83 129.837   0.460  -2.276
  484    HA2  GLY  83           HA2      GLY  83 130.678   0.707   0.497
  485    HA3  GLY  83           HA3      GLY  83 131.331  -0.405  -0.706
  486    HA   PRO  84           HA       PRO  84 134.055   3.468  -0.051
  487    HB2  PRO  84           HB2      PRO  84 135.797   2.797   1.959
  488    HB3  PRO  84           HB3      PRO  84 134.180   3.503   2.256
  489    HG2  PRO  84           HG2      PRO  84 134.963   0.570   2.300
  490    HG3  PRO  84           HG3      PRO  84 134.048   1.487   3.541
  491    HD2  PRO  84           HD2      PRO  84 132.780  -0.014   1.653
  492    HD3  PRO  84           HD3      PRO  84 132.107   1.550   2.200
  493    HA   HYP  85           HA       HYP  85 137.511   1.714  -2.440
  494    HB2  HYP  85           HB2      HYP  85 139.241   3.582  -0.847
  495    HB3  HYP  85           HB3      HYP  85 139.192   3.331  -2.612
  496    HG   HYP  85           HG       HYP  85 138.058   5.516  -1.395
  497   HD22  HYP  85          HD22      HYP  85 136.608   4.490   0.119
  498   HD23  HYP  85          HD23      HYP  85 135.508   4.564  -1.287
  499    HD1  HYP  85           HD1      HYP  85 137.887   5.228  -3.625
  500    H    GLY  86           H        GLY  86 139.005   0.070  -2.102
  501    HA2  GLY  86           HA2      GLY  86 139.176  -1.208   0.455
  502    HA3  GLY  86           HA3      GLY  86 140.166  -1.587  -0.951
  503    HA   PRO  87           HA       PRO  87 142.578   0.650   2.456
  504    HB2  PRO  87           HB2      PRO  87 144.094  -1.704   3.171
  505    HB3  PRO  87           HB3      PRO  87 143.017  -0.709   4.186
  506    HG2  PRO  87           HG2      PRO  87 142.505  -3.345   3.211
  507    HG3  PRO  87           HG3      PRO  87 141.353  -2.246   4.006
  508    HD2  PRO  87           HD2      PRO  87 141.578  -2.902   1.137
  509    HD3  PRO  87           HD3      PRO  87 140.211  -2.222   2.054
  510    HA   HYP  88           HA       HYP  88 146.236   1.078  -0.232
  511    HB2  HYP  88           HB2      HYP  88 147.696   1.423   2.370
  512    HB3  HYP  88           HB3      HYP  88 147.773   2.430   0.900
  513    HG   HYP  88           HG       HYP  88 146.381   3.181   3.149
  514   HD22  HYP  88          HD22      HYP  88 144.906   1.397   3.411
  515   HD23  HYP  88          HD23      HYP  88 143.928   2.378   2.279
  516    HD1  HYP  88           HD1      HYP  88 146.376   4.496   1.323
  517    H    GLY  89           H        GLY  89 147.858  -0.324  -0.923
  518    HA2  GLY  89           HA2      GLY  89 147.899  -2.997   0.074
  519    HA3  GLY  89           HA3      GLY  89 149.064  -2.313  -1.060
  520    HA   PRO  90           HA       PRO  90 150.859  -3.057   3.222
  521    HB2  PRO  90           HB2      PRO  90 152.495  -5.269   2.307
  522    HB3  PRO  90           HB3      PRO  90 151.336  -5.207   3.663
  523    HG2  PRO  90           HG2      PRO  90 150.927  -6.565   1.216
  524    HG3  PRO  90           HG3      PRO  90 149.663  -6.054   2.348
  525    HD2  PRO  90           HD2      PRO  90 150.423  -4.775  -0.221
  526    HD3  PRO  90           HD3      PRO  90 148.856  -4.830   0.623
  527    HA   HYP  91           HA       HYP  91 154.432  -0.578   2.133
  528    HB2  HYP  91           HB2      HYP  91 155.901  -1.935   4.368
  529    HB3  HYP  91           HB3      HYP  91 155.725  -0.191   4.032
  530    HG   HYP  91           HG       HYP  91 154.310  -1.478   5.998
  531   HD22  HYP  91          HD22      HYP  91 153.175  -3.124   4.790
  532   HD23  HYP  91          HD23      HYP  91 152.027  -1.772   4.573
  533    HD1  HYP  91           HD1      HYP  91 152.727   0.145   5.730
  534    H    GLY  92           H        GLY  92 156.535  -0.679   1.195
  535    HA2  GLY  92           HA2      GLY  92 156.965  -2.854  -0.489
  536    HA3  GLY  92           HA3      GLY  92 158.145  -1.599  -0.165
  537    HA   PRO  93           HA       PRO  93 158.902  -5.837   2.292
  538    HB2  PRO  93           HB2      PRO  93 159.867  -6.932  -0.366
  539    HB3  PRO  93           HB3      PRO  93 159.206  -7.828   1.039
  540    HG2  PRO  93           HG2      PRO  93 157.620  -7.304  -1.078
  541    HG3  PRO  93           HG3      PRO  93 156.992  -7.061   0.585
  542    HD2  PRO  93           HD2      PRO  93 158.026  -4.987  -1.354
  543    HD3  PRO  93           HD3      PRO  93 156.601  -4.935  -0.274
  544    HA   HYP  94           HA       HYP  94 163.168  -4.542   2.537
  545    HB2  HYP  94           HB2      HYP  94 164.343  -6.476   4.060
  546    HB3  HYP  94           HB3      HYP  94 163.096  -5.357   4.680
  547    HG   HYP  94           HG       HYP  94 162.729  -8.208   3.694
  548   HD22  HYP  94          HD22      HYP  94 160.617  -7.709   2.889
  549   HD23  HYP  94          HD23      HYP  94 160.382  -6.355   4.031
  550    HD1  HYP  94           HD1      HYP  94 162.836  -7.823   5.967
  551    H    GLY  95           H        GLY  95 162.370  -7.144   0.546
  552    HA2  GLY  95           HA2      GLY  95 164.640  -6.814  -1.123
  553    HA3  GLY  95           HA3      GLY  95 164.876  -8.291  -0.182
  554    HN1  NH2  96           HN1      NH2  96 161.873  -8.940  -0.232
  555    HN2  NH2  96           HN2      NH2  96 161.581  -9.456  -1.877
  Start of MODEL   10
    1    H1   ACE   1           H1       ACE   1  79.421   7.828   9.547
    2    H2   ACE   1           H2       ACE   1  77.708   7.814  10.021
    3    H3   ACE   1           H3       ACE   1  78.961   7.336  11.192
    4    HA   PRO   2           HA       PRO   2  78.525   3.147  10.057
    5    HB2  PRO   2           HB2      PRO   2  76.043   2.231  10.806
    6    HB3  PRO   2           HB3      PRO   2  77.308   2.743  11.964
    7    HG2  PRO   2           HG2      PRO   2  74.989   4.388  10.899
    8    HG3  PRO   2           HG3      PRO   2  75.493   4.162  12.607
    9    HD2  PRO   2           HD2      PRO   2  76.254   6.343  11.189
   10    HD3  PRO   2           HD3      PRO   2  77.391   5.553  12.323
   11    H    LYS   3           H        LYS   3  76.310   5.236   8.441
   12    HA   LYS   3           HA       LYS   3  75.402   3.348   6.392
   13    HB2  LYS   3           HB2      LYS   3  75.339   6.396   6.602
   14    HB3  LYS   3           HB3      LYS   3  74.575   5.491   5.310
   15    HG2  LYS   3           HG2      LYS   3  73.856   5.361   8.270
   16    HG3  LYS   3           HG3      LYS   3  72.935   6.144   6.995
   17    HD2  LYS   3           HD2      LYS   3  73.406   3.143   7.285
   18    HD3  LYS   3           HD3      LYS   3  71.915   4.017   7.631
   19    HE2  LYS   3           HE2      LYS   3  71.655   4.653   5.285
   20    HE3  LYS   3           HE3      LYS   3  73.216   3.930   4.871
   21    HZ1  LYS   3           HZ1      LYS   3  70.916   2.379   5.928
   22    HZ2  LYS   3           HZ2      LYS   3  71.339   2.457   4.351
   23    HZ3  LYS   3           HZ3      LYS   3  72.359   1.760   5.424
   24    H    GLY   4           H        GLY   4  78.464   4.612   6.871
   25    HA2  GLY   4           HA2      GLY   4  79.386   3.657   4.350
   26    HA3  GLY   4           HA3      GLY   4  79.289   5.420   4.319
   27    HA   PRO   5           HA       PRO   5  82.594   4.860   7.687
   28    HB2  PRO   5           HB2      PRO   5  83.211   2.478   8.857
   29    HB3  PRO   5           HB3      PRO   5  81.807   3.476   9.345
   30    HG2  PRO   5           HG2      PRO   5  81.824   1.106   7.455
   31    HG3  PRO   5           HG3      PRO   5  80.730   1.404   8.844
   32    HD2  PRO   5           HD2      PRO   5  80.014   2.021   6.282
   33    HD3  PRO   5           HD3      PRO   5  79.537   3.035   7.673
   34    H    LYS   6           H        LYS   6  84.132   5.397   6.233
   35    HA   LYS   6           HA       LYS   6  85.293   3.767   4.221
   36    HB2  LYS   6           HB2      LYS   6  85.325   6.266   4.208
   37    HB3  LYS   6           HB3      LYS   6  86.337   6.267   5.650
   38    HG2  LYS   6           HG2      LYS   6  88.186   5.276   4.459
   39    HG3  LYS   6           HG3      LYS   6  87.212   5.042   3.002
   40    HD2  LYS   6           HD2      LYS   6  87.074   7.462   2.667
   41    HD3  LYS   6           HD3      LYS   6  87.860   7.755   4.240
   42    HE2  LYS   6           HE2      LYS   6  89.864   6.494   3.450
   43    HE3  LYS   6           HE3      LYS   6  89.107   6.297   1.860
   44    HZ1  LYS   6           HZ1      LYS   6  89.769   8.924   3.088
   45    HZ2  LYS   6           HZ2      LYS   6  90.701   8.154   1.985
   46    HZ3  LYS   6           HZ3      LYS   6  89.200   8.689   1.566
   47    H    GLY   7           H        GLY   7  87.163   2.637   3.986
   48    HA2  GLY   7           HA2      GLY   7  88.206   1.263   6.304
   49    HA3  GLY   7           HA3      GLY   7  88.760   1.080   4.643
   50    HA   PRO   8           HA       PRO   8  91.789   3.679   7.277
   51    HB2  PRO   8           HB2      PRO   8  93.561   1.825   8.247
   52    HB3  PRO   8           HB3      PRO   8  92.036   2.251   9.080
   53    HG2  PRO   8           HG2      PRO   8  92.533  -0.078   7.197
   54    HG3  PRO   8           HG3      PRO   8  91.799  -0.122   8.834
   55    HD2  PRO   8           HD2      PRO   8  90.237  -0.046   6.618
   56    HD3  PRO   8           HD3      PRO   8  89.808   0.913   8.064
   57    H    LYS   9           H        LYS   9  93.921   4.239   6.744
   58    HA   LYS   9           HA       LYS   9  94.886   3.829   4.088
   59    HB2  LYS   9           HB2      LYS   9  95.360   5.819   5.525
   60    HB3  LYS   9           HB3      LYS   9  96.301   4.800   6.619
   61    HG2  LYS   9           HG2      LYS   9  97.955   4.370   4.907
   62    HG3  LYS   9           HG3      LYS   9  96.986   5.216   3.678
   63    HD2  LYS   9           HD2      LYS   9  97.286   7.342   4.852
   64    HD3  LYS   9           HD3      LYS   9  98.105   6.520   6.201
   65    HE2  LYS   9           HE2      LYS   9  99.903   5.779   4.669
   66    HE3  LYS   9           HE3      LYS   9  99.115   6.606   3.316
   67    HZ1  LYS   9           HZ1      LYS   9 100.060   7.987   5.776
   68    HZ2  LYS   9           HZ2      LYS   9 100.946   7.880   4.418
   69    HZ3  LYS   9           HZ3      LYS   9  99.520   8.714   4.405
   70    H    GLY  10           H        GLY  10  96.446   2.537   3.215
   71    HA2  GLY  10           HA2      GLY  10  96.762  -0.083   4.290
   72    HA3  GLY  10           HA3      GLY  10  97.566   0.559   2.863
   73    HA   PRO  11           HA       PRO  11 100.544  -0.104   6.497
   74    HB2  PRO  11           HB2      PRO  11 101.774  -2.453   5.840
   75    HB3  PRO  11           HB3      PRO  11 100.199  -2.388   6.690
   76    HG2  PRO  11           HG2      PRO  11 100.694  -2.738   3.716
   77    HG3  PRO  11           HG3      PRO  11  99.650  -3.733   4.783
   78    HD2  PRO  11           HD2      PRO  11  98.627  -1.714   3.262
   79    HD3  PRO  11           HD3      PRO  11  98.005  -2.044   4.905
   80    H    LYS  12           H        LYS  12 102.801   0.165   6.519
   81    HA   LYS  12           HA       LYS  12 103.998   1.657   4.433
   82    HB2  LYS  12           HB2      LYS  12 104.571   1.674   6.881
   83    HB3  LYS  12           HB3      LYS  12 105.369   0.106   6.679
   84    HG2  LYS  12           HG2      LYS  12 106.953   1.127   5.080
   85    HG3  LYS  12           HG3      LYS  12 106.129   2.687   5.235
   86    HD2  LYS  12           HD2      LYS  12 106.666   2.547   7.753
   87    HD3  LYS  12           HD3      LYS  12 107.732   1.184   7.339
   88    HE2  LYS  12           HE2      LYS  12 108.890   2.721   5.673
   89    HE3  LYS  12           HE3      LYS  12 107.881   4.044   6.271
   90    HZ1  LYS  12           HZ1      LYS  12 109.943   2.525   7.768
   91    HZ2  LYS  12           HZ2      LYS  12 109.948   4.114   7.441
   92    HZ3  LYS  12           HZ3      LYS  12 108.874   3.535   8.534
   93    H    GLY  13           H        GLY  13 105.340   1.178   2.757
   94    HA2  GLY  13           HA2      GLY  13 105.194  -1.373   1.509
   95    HA3  GLY  13           HA3      GLY  13 106.207  -0.025   1.001
   96    HA   PRO  14           HA       PRO  14 108.682  -3.668   2.760
   97    HB2  PRO  14           HB2      PRO  14 109.722  -4.799   0.493
   98    HB3  PRO  14           HB3      PRO  14 108.097  -5.194   1.132
   99    HG2  PRO  14           HG2      PRO  14 108.809  -3.209  -1.042
  100    HG3  PRO  14           HG3      PRO  14 107.561  -4.496  -1.095
  101    HD2  PRO  14           HD2      PRO  14 106.916  -1.923  -0.487
  102    HD3  PRO  14           HD3      PRO  14 106.126  -3.291   0.347
  103    H    LYS  15           H        LYS  15 110.840  -3.649   3.201
  104    HA   LYS  15           HA       LYS  15 112.435  -1.327   2.796
  105    HB2  LYS  15           HB2      LYS  15 112.595  -2.955   4.686
  106    HB3  LYS  15           HB3      LYS  15 113.246  -4.169   3.578
  107    HG2  LYS  15           HG2      LYS  15 115.234  -2.821   3.188
  108    HG3  LYS  15           HG3      LYS  15 114.563  -1.477   4.143
  109    HD2  LYS  15           HD2      LYS  15 114.595  -2.898   6.174
  110    HD3  LYS  15           HD3      LYS  15 115.146  -4.275   5.216
  111    HE2  LYS  15           HE2      LYS  15 117.036  -3.414   6.381
  112    HE3  LYS  15           HE3      LYS  15 117.251  -3.072   4.666
  113    HZ1  LYS  15           HZ1      LYS  15 116.262  -1.088   6.661
  114    HZ2  LYS  15           HZ2      LYS  15 117.805  -1.176   6.141
  115    HZ3  LYS  15           HZ3      LYS  15 116.628  -0.762   5.083
  116    H    GLY  16           H        GLY  16 114.050  -0.795   1.396
  117    HA2  GLY  16           HA2      GLY  16 113.958  -1.844  -1.253
  118    HA3  GLY  16           HA3      GLY  16 115.117  -0.669  -0.647
  119    HA   PRO  17           HA       PRO  17 117.203  -4.845  -1.500
  120    HB2  PRO  17           HB2      PRO  17 118.331  -4.466  -3.954
  121    HB3  PRO  17           HB3      PRO  17 116.630  -4.980  -3.742
  122    HG2  PRO  17           HG2      PRO  17 117.681  -2.178  -4.222
  123    HG3  PRO  17           HG3      PRO  17 116.351  -3.018  -5.082
  124    HD2  PRO  17           HD2      PRO  17 115.885  -1.282  -3.018
  125    HD3  PRO  17           HD3      PRO  17 114.874  -2.736  -3.273
  126    H    LYS  18           H        LYS  18 119.443  -5.278  -1.354
  127    HA   LYS  18           HA       LYS  18 121.008  -3.401   0.099
  128    HB2  LYS  18           HB2      LYS  18 121.085  -5.894   0.266
  129    HB3  LYS  18           HB3      LYS  18 121.786  -5.977  -1.353
  130    HG2  LYS  18           HG2      LYS  18 123.817  -4.885  -0.606
  131    HG3  LYS  18           HG3      LYS  18 123.119  -4.563   0.997
  132    HD2  LYS  18           HD2      LYS  18 123.053  -6.921   1.524
  133    HD3  LYS  18           HD3      LYS  18 123.440  -7.368  -0.155
  134    HE2  LYS  18           HE2      LYS  18 125.641  -6.288   0.035
  135    HE3  LYS  18           HE3      LYS  18 125.298  -5.822   1.712
  136    HZ1  LYS  18           HZ1      LYS  18 125.316  -8.647   0.782
  137    HZ2  LYS  18           HZ2      LYS  18 126.638  -7.910   1.383
  138    HZ3  LYS  18           HZ3      LYS  18 125.305  -8.125   2.338
  139    H    GLY  19           H        GLY  19 122.882  -2.283  -0.311
  140    HA2  GLY  19           HA2      GLY  19 123.189  -1.123  -2.966
  141    HA3  GLY  19           HA3      GLY  19 124.086  -0.708  -1.516
  142    HA   PRO  20           HA       PRO  20 126.754  -3.170  -4.538
  143    HB2  PRO  20           HB2      PRO  20 128.236  -1.235  -5.750
  144    HB3  PRO  20           HB3      PRO  20 126.559  -1.609  -6.250
  145    HG2  PRO  20           HG2      PRO  20 127.489   0.591  -4.373
  146    HG3  PRO  20           HG3      PRO  20 126.406   0.741  -5.794
  147    HD2  PRO  20           HD2      PRO  20 125.422   0.487  -3.258
  148    HD3  PRO  20           HD3      PRO  20 124.611  -0.269  -4.658
  149    H    LYS  21           H        LYS  21 128.923  -3.787  -4.329
  150    HA   LYS  21           HA       LYS  21 130.259  -3.467  -1.843
  151    HB2  LYS  21           HB2      LYS  21 130.488  -5.394  -3.418
  152    HB3  LYS  21           HB3      LYS  21 131.335  -4.349  -4.560
  153    HG2  LYS  21           HG2      LYS  21 133.188  -4.055  -2.956
  154    HG3  LYS  21           HG3      LYS  21 132.327  -5.042  -1.756
  155    HD2  LYS  21           HD2      LYS  21 132.485  -7.012  -3.208
  156    HD3  LYS  21           HD3      LYS  21 133.095  -6.024  -4.537
  157    HE2  LYS  21           HE2      LYS  21 134.965  -7.171  -3.666
  158    HE3  LYS  21           HE3      LYS  21 135.136  -5.479  -3.207
  159    HZ1  LYS  21           HZ1      LYS  21 134.138  -7.635  -1.407
  160    HZ2  LYS  21           HZ2      LYS  21 135.668  -7.054  -1.418
  161    HZ3  LYS  21           HZ3      LYS  21 134.424  -6.077  -0.947
  162    H    GLY  22           H        GLY  22 131.999  -2.313  -1.141
  163    HA2  GLY  22           HA2      GLY  22 132.421   0.327  -2.222
  164    HA3  GLY  22           HA3      GLY  22 133.267  -0.394  -0.859
  165    HA   PRO  23           HA       PRO  23 136.086  -0.111  -4.663
  166    HB2  PRO  23           HB2      PRO  23 137.453   2.211  -4.273
  167    HB3  PRO  23           HB3      PRO  23 135.823   2.171  -5.011
  168    HG2  PRO  23           HG2      PRO  23 136.536   2.711  -2.111
  169    HG3  PRO  23           HG3      PRO  23 135.477   3.684  -3.184
  170    HD2  PRO  23           HD2      PRO  23 134.459   1.834  -1.448
  171    HD3  PRO  23           HD3      PRO  23 133.736   2.104  -3.060
  172    H    LYS  24           H        LYS  24 138.337  -0.505  -4.749
  173    HA   LYS  24           HA       LYS  24 139.520  -1.940  -2.610
  174    HB2  LYS  24           HB2      LYS  24 140.016  -2.223  -5.043
  175    HB3  LYS  24           HB3      LYS  24 140.764  -0.628  -5.077
  176    HG2  LYS  24           HG2      LYS  24 142.576  -1.350  -3.649
  177    HG3  LYS  24           HG3      LYS  24 141.790  -2.914  -3.340
  178    HD2  LYS  24           HD2      LYS  24 142.058  -3.582  -5.655
  179    HD3  LYS  24           HD3      LYS  24 142.603  -1.955  -6.121
  180    HE2  LYS  24           HE2      LYS  24 144.603  -2.184  -4.710
  181    HE3  LYS  24           HE3      LYS  24 144.080  -3.794  -4.184
  182    HZ1  LYS  24           HZ1      LYS  24 144.669  -3.070  -7.012
  183    HZ2  LYS  24           HZ2      LYS  24 145.723  -3.828  -6.019
  184    HZ3  LYS  24           HZ3      LYS  24 144.322  -4.574  -6.456
  185    H    GLY  25           H        GLY  25 141.066  -1.530  -1.099
  186    HA2  GLY  25           HA2      GLY  25 141.283   1.144  -0.033
  187    HA3  GLY  25           HA3      GLY  25 142.086  -0.302   0.569
  188    HA   PRO  26           HA       PRO  26 145.086   2.635  -1.634
  189    HB2  PRO  26           HB2      PRO  26 146.303   3.929   0.436
  190    HB3  PRO  26           HB3      PRO  26 144.722   4.445  -0.227
  191    HG2  PRO  26           HG2      PRO  26 145.239   2.689   2.191
  192    HG3  PRO  26           HG3      PRO  26 144.187   4.139   2.090
  193    HD2  PRO  26           HD2      PRO  26 143.176   1.617   1.840
  194    HD3  PRO  26           HD3      PRO  26 142.539   2.975   0.867
  195    H    LYS  27           H        LYS  27 147.344   2.418  -1.841
  196    HA   LYS  27           HA       LYS  27 148.546  -0.092  -1.207
  197    HB2  LYS  27           HB2      LYS  27 149.162   1.347  -3.156
  198    HB3  LYS  27           HB3      LYS  27 149.732   2.606  -2.071
  199    HG2  LYS  27           HG2      LYS  27 151.644   1.509  -1.486
  200    HG3  LYS  27           HG3      LYS  27 150.981  -0.113  -1.802
  201    HD2  LYS  27           HD2      LYS  27 151.524   1.846  -4.056
  202    HD3  LYS  27           HD3      LYS  27 152.792   0.790  -3.403
  203    HE2  LYS  27           HE2      LYS  27 151.495  -1.213  -3.857
  204    HE3  LYS  27           HE3      LYS  27 150.107  -0.254  -4.399
  205    HZ1  LYS  27           HZ1      LYS  27 152.756  -0.312  -5.764
  206    HZ2  LYS  27           HZ2      LYS  27 151.404  -1.060  -6.293
  207    HZ3  LYS  27           HZ3      LYS  27 151.465   0.570  -6.253
  208    H    GLY  28           H        GLY  28 150.011  -0.773   0.286
  209    HA2  GLY  28           HA2      GLY  28 149.598   0.201   2.904
  210    HA3  GLY  28           HA3      GLY  28 150.718  -1.072   2.445
  211    HA   PRO  29           HA       PRO  29 153.152   2.662   4.007
  212    HB2  PRO  29           HB2      PRO  29 153.565   2.057   6.621
  213    HB3  PRO  29           HB3      PRO  29 152.011   2.738   6.058
  214    HG2  PRO  29           HG2      PRO  29 152.696  -0.188   6.512
  215    HG3  PRO  29           HG3      PRO  29 151.300   0.728   7.169
  216    HD2  PRO  29           HD2      PRO  29 151.127  -0.785   4.892
  217    HD3  PRO  29           HD3      PRO  29 150.209   0.739   5.092
  218    H    LYS  30           H        LYS  30 155.407   2.551   5.151
  219    HA   LYS  30           HA       LYS  30 156.707  -0.075   5.122
  220    HB2  LYS  30           HB2      LYS  30 158.384   0.311   3.575
  221    HB3  LYS  30           HB3      LYS  30 156.992   1.036   2.784
  222    HG2  LYS  30           HG2      LYS  30 157.810   3.296   3.712
  223    HG3  LYS  30           HG3      LYS  30 159.277   2.449   4.227
  224    HD2  LYS  30           HD2      LYS  30 159.520   1.652   1.807
  225    HD3  LYS  30           HD3      LYS  30 158.268   2.820   1.380
  226    HE2  LYS  30           HE2      LYS  30 160.936   3.444   2.745
  227    HE3  LYS  30           HE3      LYS  30 160.615   3.624   1.020
  228    HZ1  LYS  30           HZ1      LYS  30 159.261   5.171   3.173
  229    HZ2  LYS  30           HZ2      LYS  30 160.391   5.738   2.146
  230    HZ3  LYS  30           HZ3      LYS  30 158.925   5.311   1.565
  231    H    GLY  31           H        GLY  31 159.058   0.130   5.935
  232    HA2  GLY  31           HA2      GLY  31 159.846   2.328   7.588
  233    HA3  GLY  31           HA3      GLY  31 159.039   1.116   8.585
  234    HN1  NH2  32           HN1      NH2  32 161.455   1.438   9.442
  235    HN2  NH2  32           HN2      NH2  32 162.578   0.230   8.847
  236    H1   ACE  33           H1       ACE  33  74.562  -1.123  -0.882
  237    H2   ACE  33           H2       ACE  33  75.442   0.235  -1.613
  238    H3   ACE  33           H3       ACE  33  76.334  -1.187  -1.015
  239    H    ASP  34           H        ASP  34  74.890  -1.548   1.386
  240    HA   ASP  34           HA       ASP  34  74.916   0.797   3.031
  241    HB2  ASP  34           HB2      ASP  34  73.608  -1.331   3.384
  242    HB3  ASP  34           HB3      ASP  34  75.095  -2.092   3.941
  243    HA   HYP  35           HA       HYP  35  79.346  -0.710   4.509
  244    HB2  HYP  35           HB2      HYP  35  80.397  -1.462   1.786
  245    HB3  HYP  35           HB3      HYP  35  80.877  -2.093   3.386
  246    HG   HYP  35           HG       HYP  35  79.253  -3.508   1.732
  247   HD22  HYP  35          HD22      HYP  35  77.648  -1.866   1.256
  248   HD23  HYP  35          HD23      HYP  35  76.847  -2.655   2.642
  249    HD1  HYP  35           HD1      HYP  35  78.300  -4.414   3.585
  250    H    GLY  36           H        GLY  36  81.286   0.590   4.398
  251    HA2  GLY  36           HA2      GLY  36  81.029   3.135   2.967
  252    HA3  GLY  36           HA3      GLY  36  82.242   2.691   4.159
  253    H    ASP  37           H        ASP  37  83.210   4.128   2.385
  254    HA   ASP  37           HA       ASP  37  84.058   2.998  -0.099
  255    HB2  ASP  37           HB2      ASP  37  84.855   5.433   1.542
  256    HB3  ASP  37           HB3      ASP  37  85.547   5.090  -0.035
  257    HA   HYP  38           HA       HYP  38  87.892   0.979   1.008
  258    HB2  HYP  38           HB2      HYP  38  89.505   1.794  -1.204
  259    HB3  HYP  38           HB3      HYP  38  88.534   0.317  -1.033
  260    HG   HYP  38           HG       HYP  38  87.972   2.782  -2.575
  261   HD22  HYP  38          HD22      HYP  38  86.042   3.437  -1.601
  262   HD23  HYP  38          HD23      HYP  38  85.445   1.760  -1.468
  263    HD1  HYP  38           HD1      HYP  38  86.728   1.313  -3.746
  264    H    GLY  39           H        GLY  39  90.035   1.328   1.732
  265    HA2  GLY  39           HA2      GLY  39  90.717   4.031   2.647
  266    HA3  GLY  39           HA3      GLY  39  91.559   2.537   3.013
  267    H    ASP  40           H        ASP  40  92.885   4.914   2.457
  268    HA   ASP  40           HA       ASP  40  93.766   5.061  -0.281
  269    HB2  ASP  40           HB2      ASP  40  94.555   6.415   2.323
  270    HB3  ASP  40           HB3      ASP  40  95.344   6.770   0.796
  271    HA   HYP  41           HA       HYP  41  97.396   2.454  -0.363
  272    HB2  HYP  41           HB2      HYP  41  98.887   4.801  -1.493
  273    HB3  HYP  41           HB3      HYP  41  98.794   3.130  -2.109
  274    HG   HYP  41           HG       HYP  41  97.378   5.218  -3.210
  275   HD22  HYP  41          HD22      HYP  41  96.128   5.974  -1.404
  276   HD23  HYP  41          HD23      HYP  41  95.021   4.676  -1.933
  277    HD1  HYP  41           HD1      HYP  41  97.177   3.130  -4.032
  278    H    GLY  42           H        GLY  42  99.261   1.958   0.743
  279    HA2  GLY  42           HA2      GLY  42  99.897   3.368   3.156
  280    HA3  GLY  42           HA3      GLY  42 100.733   1.972   2.504
  281    H    ASP  43           H        ASP  43 102.195   3.728   3.878
  282    HA   ASP  43           HA       ASP  43 103.417   5.802   2.277
  283    HB2  ASP  43           HB2      ASP  43 104.022   4.510   4.964
  284    HB3  ASP  43           HB3      ASP  43 104.958   5.836   4.296
  285    HA   HYP  44           HA       HYP  44 106.609   3.472   0.247
  286    HB2  HYP  44           HB2      HYP  44 108.579   5.580   1.074
  287    HB3  HYP  44           HB3      HYP  44 108.254   4.917  -0.551
  288    HG   HYP  44           HG       HYP  44 107.325   7.371   0.239
  289   HD22  HYP  44          HD22      HYP  44 106.161   6.786   2.188
  290   HD23  HYP  44          HD23      HYP  44 104.841   6.603   0.998
  291    HD1  HYP  44           HD1      HYP  44 106.785   6.497  -1.789
  292    H    GLY  45           H        GLY  45 108.317   2.052   0.546
  293    HA2  GLY  45           HA2      GLY  45 108.986   1.095   3.156
  294    HA3  GLY  45           HA3      GLY  45 109.745   0.629   1.649
  295    H    ASP  46           H        ASP  46 111.103   0.797   4.093
  296    HA   ASP  46           HA       ASP  46 112.689   3.206   4.262
  297    HB2  ASP  46           HB2      ASP  46 112.856   0.403   5.436
  298    HB3  ASP  46           HB3      ASP  46 114.087   1.620   5.730
  299    HA   HYP  47           HA       HYP  47 115.864   2.379   1.211
  300    HB2  HYP  47           HB2      HYP  47 117.868   3.021   3.353
  301    HB3  HYP  47           HB3      HYP  47 117.748   3.674   1.697
  302    HG   HYP  47           HG       HYP  47 116.949   5.088   3.901
  303   HD22  HYP  47          HD22      HYP  47 115.396   3.621   4.856
  304   HD23  HYP  47          HD23      HYP  47 114.291   4.484   3.749
  305    HD1  HYP  47           HD1      HYP  47 115.574   6.213   2.520
  306    H    GLY  48           H        GLY  48 117.401   0.837   0.577
  307    HA2  GLY  48           HA2      GLY  48 117.469  -1.679   1.946
  308    HA3  GLY  48           HA3      GLY  48 118.441  -1.221   0.559
  309    H    ASP  49           H        ASP  49 119.459  -2.921   2.400
  310    HA   ASP  49           HA       ASP  49 121.035  -1.706   4.463
  311    HB2  ASP  49           HB2      ASP  49 121.120  -4.373   2.992
  312    HB3  ASP  49           HB3      ASP  49 122.181  -3.978   4.331
  313    HA   HYP  50           HA       HYP  50 124.553  -0.203   2.192
  314    HB2  HYP  50           HB2      HYP  50 126.663  -1.108   3.895
  315    HB3  HYP  50           HB3      HYP  50 125.819   0.455   3.940
  316    HG   HYP  50           HG       HYP  50 125.453  -1.961   5.644
  317   HD22  HYP  50          HD22      HYP  50 123.216  -2.208   5.449
  318   HD23  HYP  50          HD23      HYP  50 122.920  -0.457   5.261
  319    HD1  HYP  50           HD1      HYP  50 124.807   0.813   5.971
  320    H    GLY  51           H        GLY  51 126.121  -0.898   0.717
  321    HA2  GLY  51           HA2      GLY  51 126.386  -3.693   0.012
  322    HA3  GLY  51           HA3      GLY  51 127.375  -2.365  -0.573
  323    H    ASP  52           H        ASP  52 128.529  -4.831  -0.115
  324    HA   ASP  52           HA       ASP  52 129.705  -5.077   2.485
  325    HB2  ASP  52           HB2      ASP  52 130.180  -6.314  -0.238
  326    HB3  ASP  52           HB3      ASP  52 131.290  -6.616   1.085
  327    HA   HYP  53           HA       HYP  53 133.263  -2.369   2.347
  328    HB2  HYP  53           HB2      HYP  53 134.868  -4.735   3.263
  329    HB3  HYP  53           HB3      HYP  53 134.820  -3.083   3.937
  330    HG   HYP  53           HG       HYP  53 133.538  -5.193   5.121
  331   HD22  HYP  53          HD22      HYP  53 132.195  -5.953   3.360
  332   HD23  HYP  53          HD23      HYP  53 131.070  -4.751   4.053
  333    HD1  HYP  53           HD1      HYP  53 132.098  -3.672   5.987
  334    H    GLY  54           H        GLY  54 134.964  -1.834   1.005
  335    HA2  GLY  54           HA2      GLY  54 135.548  -3.360  -1.380
  336    HA3  GLY  54           HA3      GLY  54 136.427  -1.956  -0.777
  337    H    ASP  55           H        ASP  55 137.784  -4.052  -2.004
  338    HA   ASP  55           HA       ASP  55 138.785  -5.934  -0.046
  339    HB2  ASP  55           HB2      ASP  55 139.481  -5.260  -2.929
  340    HB3  ASP  55           HB3      ASP  55 140.233  -6.553  -2.017
  341    HA   HYP  56           HA       HYP  56 142.332  -3.766   1.522
  342    HB2  HYP  56           HB2      HYP  56 143.999  -6.162   0.825
  343    HB3  HYP  56           HB3      HYP  56 143.878  -5.288   2.376
  344    HG   HYP  56           HG       HYP  56 142.652  -7.702   1.922
  345   HD22  HYP  56          HD22      HYP  56 141.299  -7.221   0.086
  346   HD23  HYP  56          HD23      HYP  56 140.173  -6.677   1.361
  347    HD1  HYP  56           HD1      HYP  56 141.187  -7.108   3.539
  348    H    GLY  57           H        GLY  57 144.110  -2.542   0.872
  349    HA2  GLY  57           HA2      GLY  57 144.781  -2.248  -1.934
  350    HA3  GLY  57           HA3      GLY  57 145.618  -1.520  -0.572
  351    H    ASP  58           H        ASP  58 147.193  -2.233  -2.597
  352    HA   ASP  58           HA       ASP  58 148.313  -4.911  -2.257
  353    HB2  ASP  58           HB2      ASP  58 148.894  -2.489  -3.980
  354    HB3  ASP  58           HB3      ASP  58 150.053  -3.794  -3.877
  355    HA   HYP  59           HA       HYP  59 151.506  -4.283   0.705
  356    HB2  HYP  59           HB2      HYP  59 153.556  -5.108  -1.314
  357    HB3  HYP  59           HB3      HYP  59 153.307  -5.705   0.350
  358    HG   HYP  59           HG       HYP  59 152.494  -7.083  -1.891
  359   HD22  HYP  59          HD22      HYP  59 151.010  -5.615  -2.891
  360   HD23  HYP  59          HD23      HYP  59 149.855  -6.307  -1.721
  361    HD1  HYP  59           HD1      HYP  59 151.023  -8.114  -0.526
  362    H    GLY  60           H        GLY  60 153.037  -2.823   1.435
  363    HA2  GLY  60           HA2      GLY  60 152.969  -0.330   0.158
  364    HA3  GLY  60           HA3      GLY  60 153.977  -0.645   1.527
  365    H    ASP  61           H        ASP  61 154.478   1.059  -0.639
  366    HA   ASP  61           HA       ASP  61 157.213   0.230  -1.377
  367    HB2  ASP  61           HB2      ASP  61 155.038  -0.168  -3.094
  368    HB3  ASP  61           HB3      ASP  61 155.532   1.427  -3.572
  369    HA   HYP  62           HA       HYP  62 157.173   4.903  -1.853
  370    HB2  HYP  62           HB2      HYP  62 155.026   6.525  -1.542
  371    HB3  HYP  62           HB3      HYP  62 155.351   5.625  -3.050
  372    HG   HYP  62           HG       HYP  62 153.397   4.934  -0.836
  373   HD22  HYP  62          HD22      HYP  62 153.860   2.697  -0.983
  374   HD23  HYP  62          HD23      HYP  62 154.199   2.790  -2.732
  375    HD1  HYP  62           HD1      HYP  62 152.613   5.805  -2.815
  376    H    GLY  63           H        GLY  63 154.687   4.223   0.679
  377    HA2  GLY  63           HA2      GLY  63 155.990   4.315   3.020
  378    HA3  GLY  63           HA3      GLY  63 155.977   6.035   2.613
  379    HN1  NH2  64           HN1      NH2  64 154.753   5.603   4.888
  380    HN2  NH2  64           HN2      NH2  64 153.009   5.569   4.720
  381    H1   ACE  65           H1       ACE  65  86.218  -5.893  11.218
  382    H2   ACE  65           H2       ACE  65  87.142  -4.537  11.900
  383    H3   ACE  65           H3       ACE  65  87.748  -5.398  10.464
  384    HA   PRO  66           HA       PRO  66  85.583  -1.305   9.347
  385    HB2  PRO  66           HB2      PRO  66  87.833  -1.640   7.350
  386    HB3  PRO  66           HB3      PRO  66  87.111  -0.129   7.992
  387    HG2  PRO  66           HG2      PRO  66  89.394  -1.105   9.071
  388    HG3  PRO  66           HG3      PRO  66  88.088  -0.514  10.152
  389    HD2  PRO  66           HD2      PRO  66  88.808  -3.351   9.410
  390    HD3  PRO  66           HD3      PRO  66  88.319  -2.680  10.995
  391    HA   HYP  67           HA       HYP  67  83.115  -3.565   6.225
  392    HB2  HYP  67           HB2      HYP  67  81.705  -0.899   6.238
  393    HB3  HYP  67           HB3      HYP  67  81.005  -2.540   6.191
  394    HG   HYP  67           HG       HYP  67  81.079  -1.124   8.509
  395   HD22  HYP  67          HD22      HYP  67  83.360  -0.496   8.547
  396   HD23  HYP  67          HD23      HYP  67  83.459  -2.013   9.482
  397    HD1  HYP  67           HD1      HYP  67  81.361  -3.138   9.614
  398    H    GLY  68           H        GLY  68  84.183  -0.112   5.751
  399    HA2  GLY  68           HA2      GLY  68  84.502  -0.348   2.883
  400    HA3  GLY  68           HA3      GLY  68  85.220   0.865   3.939
  401    HA   PRO  69           HA       PRO  69  87.961  -3.103   3.271
  402    HB2  PRO  69           HB2      PRO  69  89.067  -2.639   0.653
  403    HB3  PRO  69           HB3      PRO  69  88.050  -3.983   1.226
  404    HG2  PRO  69           HG2      PRO  69  87.292  -1.731  -0.464
  405    HG3  PRO  69           HG3      PRO  69  86.323  -3.154   0.001
  406    HD2  PRO  69           HD2      PRO  69  86.070  -0.457   0.966
  407    HD3  PRO  69           HD3      PRO  69  85.143  -1.898   1.463
  408    HA   HYP  70           HA       HYP  70  91.436  -0.385   4.450
  409    HB2  HYP  70           HB2      HYP  70  93.032  -2.910   4.154
  410    HB3  HYP  70           HB3      HYP  70  93.031  -1.738   5.497
  411    HG   HYP  70           HG       HYP  70  91.759  -4.168   5.630
  412   HD22  HYP  70          HD22      HYP  70  90.271  -4.049   3.839
  413   HD23  HYP  70          HD23      HYP  70  89.251  -3.216   5.050
  414    HD1  HYP  70           HD1      HYP  70  90.422  -3.236   7.189
  415    H    GLY  71           H        GLY  71  93.256   0.588   3.477
  416    HA2  GLY  71           HA2      GLY  71  93.380   0.478   0.597
  417    HA3  GLY  71           HA3      GLY  71  94.420   1.420   1.656
  418    HA   PRO  72           HA       PRO  72  96.596  -2.392  -0.174
  419    HB2  PRO  72           HB2      PRO  72  97.881  -1.428  -2.390
  420    HB3  PRO  72           HB3      PRO  72  96.176  -1.974  -2.403
  421    HG2  PRO  72           HG2      PRO  72  97.221   0.857  -2.110
  422    HG3  PRO  72           HG3      PRO  72  95.954   0.260  -3.231
  423    HD2  PRO  72           HD2      PRO  72  95.327   1.425  -0.843
  424    HD3  PRO  72           HD3      PRO  72  94.377   0.055  -1.492
  425    HA   HYP  73           HA       HYP  73 100.573  -1.412   1.721
  426    HB2  HYP  73           HB2      HYP  73 101.868  -2.853  -0.573
  427    HB3  HYP  73           HB3      HYP  73 102.132  -3.065   1.178
  428    HG   HYP  73           HG       HYP  73 100.648  -4.811  -0.334
  429   HD22  HYP  73          HD22      HYP  73  98.978  -3.425  -1.202
  430   HD23  HYP  73          HD23      HYP  73  98.206  -3.794   0.361
  431    HD1  HYP  73           HD1      HYP  73  99.613  -5.376   1.587
  432    H    GLY  74           H        GLY  74 102.281   0.058   1.563
  433    HA2  GLY  74           HA2      GLY  74 102.261   1.991  -0.590
  434    HA3  GLY  74           HA3      GLY  74 103.408   1.923   0.741
  435    HA   PRO  75           HA       PRO  75 105.311   0.515  -3.350
  436    HB2  PRO  75           HB2      PRO  75 106.963   2.870  -3.610
  437    HB3  PRO  75           HB3      PRO  75 105.681   2.276  -4.696
  438    HG2  PRO  75           HG2      PRO  75 105.558   4.566  -2.988
  439    HG3  PRO  75           HG3      PRO  75 104.224   3.826  -3.907
  440    HD2  PRO  75           HD2      PRO  75 104.809   3.629  -1.018
  441    HD3  PRO  75           HD3      PRO  75 103.289   3.339  -1.904
  442    HA   HYP  76           HA       HYP  76 109.061  -0.917  -1.287
  443    HB2  HYP  76           HB2      HYP  76 110.498  -0.472  -3.886
  444    HB3  HYP  76           HB3      HYP  76 110.475  -1.924  -2.853
  445    HG   HYP  76           HG       HYP  76 109.031  -1.708  -5.188
  446   HD22  HYP  76          HD22      HYP  76 107.678   0.134  -4.775
  447   HD23  HYP  76          HD23      HYP  76 106.658  -1.104  -3.985
  448    HD1  HYP  76           HD1      HYP  76 108.936  -3.583  -3.940
  449    H    GLY  77           H        GLY  77 111.025  -0.203  -0.388
  450    HA2  GLY  77           HA2      GLY  77 111.708   2.642  -0.537
  451    HA3  GLY  77           HA3      GLY  77 112.558   1.397   0.370
  452    HA   PRO  78           HA       PRO  78 114.782   2.536  -3.673
  453    HB2  PRO  78           HB2      PRO  78 116.698   4.318  -2.871
  454    HB3  PRO  78           HB3      PRO  78 115.019   4.802  -3.258
  455    HG2  PRO  78           HG2      PRO  78 116.199   4.201  -0.525
  456    HG3  PRO  78           HG3      PRO  78 115.253   5.642  -1.025
  457    HD2  PRO  78           HD2      PRO  78 114.079   3.522   0.227
  458    HD3  PRO  78           HD3      PRO  78 113.236   4.417  -1.073
  459    HA   HYP  79           HA       HYP  79 118.233  -0.285  -2.974
  460    HB2  HYP  79           HB2      HYP  79 119.927   1.633  -4.542
  461    HB3  HYP  79           HB3      HYP  79 119.754  -0.132  -4.738
  462    HG   HYP  79           HG       HYP  79 118.541   1.678  -6.406
  463   HD22  HYP  79          HD22      HYP  79 117.262   2.932  -4.908
  464   HD23  HYP  79          HD23      HYP  79 116.087   1.621  -5.191
  465    HD1  HYP  79           HD1      HYP  79 117.042   0.059  -6.852
  466    H    GLY  80           H        GLY  80 119.860  -0.532  -1.496
  467    HA2  GLY  80           HA2      GLY  80 120.404   1.507   0.439
  468    HA3  GLY  80           HA3      GLY  80 121.204  -0.059   0.321
  469    HA   PRO  81           HA       PRO  81 123.961   3.547  -1.004
  470    HB2  PRO  81           HB2      PRO  81 125.504   4.016   1.210
  471    HB3  PRO  81           HB3      PRO  81 123.870   4.712   0.989
  472    HG2  PRO  81           HG2      PRO  81 124.634   2.217   2.539
  473    HG3  PRO  81           HG3      PRO  81 123.610   3.585   3.082
  474    HD2  PRO  81           HD2      PRO  81 122.537   1.282   2.071
  475    HD3  PRO  81           HD3      PRO  81 121.796   2.881   1.757
  476    HA   HYP  82           HA       HYP  82 127.534   0.966  -2.008
  477    HB2  HYP  82           HB2      HYP  82 129.236   3.337  -1.308
  478    HB3  HYP  82           HB3      HYP  82 129.282   2.317  -2.770
  479    HG   HYP  82           HG       HYP  82 128.154   4.826  -2.726
  480   HD22  HYP  82          HD22      HYP  82 126.539   4.603  -1.068
  481   HD23  HYP  82          HD23      HYP  82 125.569   3.990  -2.438
  482    HD1  HYP  82           HD1      HYP  82 128.142   3.583  -4.607
  483    H    GLY  83           H        GLY  83 129.070  -0.299  -0.967
  484    HA2  GLY  83           HA2      GLY  83 129.409  -0.190   1.922
  485    HA3  GLY  83           HA3      GLY  83 130.307  -1.203   0.796
  486    HA   PRO  84           HA       PRO  84 132.752   2.601   2.271
  487    HB2  PRO  84           HB2      PRO  84 134.310   1.629   4.310
  488    HB3  PRO  84           HB3      PRO  84 132.635   2.215   4.544
  489    HG2  PRO  84           HG2      PRO  84 133.564  -0.649   4.152
  490    HG3  PRO  84           HG3      PRO  84 132.475  -0.006   5.424
  491    HD2  PRO  84           HD2      PRO  84 131.497  -1.177   3.165
  492    HD3  PRO  84           HD3      PRO  84 130.686   0.234   3.903
  493    HA   HYP  85           HA       HYP  85 136.493   1.470  -0.041
  494    HB2  HYP  85           HB2      HYP  85 137.994   3.049   2.022
  495    HB3  HYP  85           HB3      HYP  85 138.096   3.143   0.244
  496    HG   HYP  85           HG       HYP  85 136.764   5.003   1.756
  497   HD22  HYP  85          HD22      HYP  85 135.220   3.671   2.894
  498   HD23  HYP  85          HD23      HYP  85 134.258   3.957   1.415
  499    HD1  HYP  85           HD1      HYP  85 135.553   5.443  -0.086
  500    H    GLY  86           H        GLY  86 138.092  -0.101   0.077
  501    HA2  GLY  86           HA2      GLY  86 138.114  -1.902   2.298
  502    HA3  GLY  86           HA3      GLY  86 139.230  -1.940   0.934
  503    HA   PRO  87           HA       PRO  87 141.315  -0.444   4.910
  504    HB2  PRO  87           HB2      PRO  87 142.748  -2.916   5.335
  505    HB3  PRO  87           HB3      PRO  87 141.556  -2.118   6.393
  506    HG2  PRO  87           HG2      PRO  87 141.169  -4.523   4.917
  507    HG3  PRO  87           HG3      PRO  87 139.926  -3.561   5.749
  508    HD2  PRO  87           HD2      PRO  87 140.541  -3.675   2.851
  509    HD3  PRO  87           HD3      PRO  87 139.033  -3.226   3.690
  510    HA   HYP  88           HA       HYP  88 145.173   0.380   2.693
  511    HB2  HYP  88           HB2      HYP  88 146.544  -0.010   5.337
  512    HB3  HYP  88           HB3      HYP  88 146.711   1.332   4.174
  513    HG   HYP  88           HG       HYP  88 145.254   1.542   6.498
  514   HD22  HYP  88          HD22      HYP  88 143.706  -0.179   6.250
  515   HD23  HYP  88          HD23      HYP  88 142.814   1.098   5.371
  516    HD1  HYP  88           HD1      HYP  88 145.344   3.295   5.117
  517    H    GLY  89           H        GLY  89 146.830  -0.818   1.745
  518    HA2  GLY  89           HA2      GLY  89 146.805  -3.660   1.965
  519    HA3  GLY  89           HA3      GLY  89 148.027  -2.708   1.122
  520    HA   PRO  90           HA       PRO  90 149.655  -4.733   5.064
  521    HB2  PRO  90           HB2      PRO  90 151.349  -6.566   3.616
  522    HB3  PRO  90           HB3      PRO  90 150.024  -6.922   4.757
  523    HG2  PRO  90           HG2      PRO  90 149.962  -7.324   1.939
  524    HG3  PRO  90           HG3      PRO  90 148.576  -7.336   3.051
  525    HD2  PRO  90           HD2      PRO  90 149.448  -5.174   1.211
  526    HD3  PRO  90           HD3      PRO  90 147.826  -5.560   1.849
  527    HA   HYP  91           HA       HYP  91 153.329  -2.195   4.927
  528    HB2  HYP  91           HB2      HYP  91 154.748  -4.339   6.481
  529    HB3  HYP  91           HB3      HYP  91 154.652  -2.587   6.810
  530    HG   HYP  91           HG       HYP  91 153.167  -4.447   8.189
  531   HD22  HYP  91          HD22      HYP  91 151.951  -5.478   6.479
  532   HD23  HYP  91          HD23      HYP  91 150.879  -4.086   6.773
  533    HD1  HYP  91           HD1      HYP  91 152.961  -2.246   8.639
  534    H    GLY  92           H        GLY  92 155.177  -1.935   3.695
  535    HA2  GLY  92           HA2      GLY  92 155.894  -3.756   1.629
  536    HA3  GLY  92           HA3      GLY  92 156.823  -2.352   2.152
  537    HA   PRO  93           HA       PRO  93 159.864  -4.793   4.401
  538    HB2  PRO  93           HB2      PRO  93 158.338  -4.798   7.017
  539    HB3  PRO  93           HB3      PRO  93 160.096  -4.579   6.745
  540    HG2  PRO  93           HG2      PRO  93 158.527  -2.418   7.134
  541    HG3  PRO  93           HG3      PRO  93 159.745  -2.399   5.812
  542    HD2  PRO  93           HD2      PRO  93 156.779  -2.907   5.630
  543    HD3  PRO  93           HD3      PRO  93 157.820  -1.916   4.560
  544    HA   HYP  94           HA       HYP  94 158.501  -9.146   4.281
  545    HB2  HYP  94           HB2      HYP  94 161.027  -9.506   5.898
  546    HB3  HYP  94           HB3      HYP  94 160.435 -10.474   4.518
  547    HG   HYP  94           HG       HYP  94 162.399  -8.610   4.209
  548   HD22  HYP  94          HD22      HYP  94 161.384  -6.741   5.201
  549   HD23  HYP  94          HD23      HYP  94 160.844  -6.492   3.515
  550    HD1  HYP  94           HD1      HYP  94 161.488  -9.667   2.408
  551    H    GLY  95           H        GLY  95 157.563 -10.671   5.696
  552    HA2  GLY  95           HA2      GLY  95 157.810 -11.141   8.354
  553    HA3  GLY  95           HA3      GLY  95 156.809  -9.687   8.374
  554    HN1  NH2  96           HN1      NH2  96 155.506 -10.853   5.695
  555    HN2  NH2  96           HN2      NH2  96 154.355 -11.996   6.353
  Start of MODEL   11
    1    H1   ACE   1           H1       ACE   1  72.920  13.560   2.308
    2    H2   ACE   1           H2       ACE   1  71.623  12.677   3.145
    3    H3   ACE   1           H3       ACE   1  71.532  12.928   1.389
    4    HA   PRO   2           HA       PRO   2  73.765   9.208   0.658
    5    HB2  PRO   2           HB2      PRO   2  75.587   9.703  -1.312
    6    HB3  PRO   2           HB3      PRO   2  73.828   9.910  -1.560
    7    HG2  PRO   2           HG2      PRO   2  75.864  12.049  -0.845
    8    HG3  PRO   2           HG3      PRO   2  74.656  12.075  -2.171
    9    HD2  PRO   2           HD2      PRO   2  74.188  13.257   0.247
   10    HD3  PRO   2           HD3      PRO   2  72.880  12.455  -0.672
   11    H    LYS   3           H        LYS   3  75.779   8.019   0.557
   12    HA   LYS   3           HA       LYS   3  77.596   7.087   1.500
   13    HB2  LYS   3           HB2      LYS   3  79.657   8.135   0.886
   14    HB3  LYS   3           HB3      LYS   3  78.469   8.401  -0.369
   15    HG2  LYS   3           HG2      LYS   3  78.239  10.685   0.111
   16    HG3  LYS   3           HG3      LYS   3  78.898  10.540   1.743
   17    HD2  LYS   3           HD2      LYS   3  80.599  10.061  -0.734
   18    HD3  LYS   3           HD3      LYS   3  80.364  11.661  -0.008
   19    HE2  LYS   3           HE2      LYS   3  81.170  10.771   2.190
   20    HE3  LYS   3           HE3      LYS   3  81.536   9.223   1.413
   21    HZ1  LYS   3           HZ1      LYS   3  82.741  11.820   0.596
   22    HZ2  LYS   3           HZ2      LYS   3  83.480  10.726   1.558
   23    HZ3  LYS   3           HZ3      LYS   3  83.151  10.341   0.003
   24    H    GLY   4           H        GLY   4  79.734   7.476   2.773
   25    HA2  GLY   4           HA2      GLY   4  79.539   9.029   5.237
   26    HA3  GLY   4           HA3      GLY   4  79.165   7.333   5.478
   27    HA   PRO   5           HA       PRO   5  83.263   6.793   6.506
   28    HB2  PRO   5           HB2      PRO   5  83.836   4.146   6.048
   29    HB3  PRO   5           HB3      PRO   5  82.606   4.704   7.221
   30    HG2  PRO   5           HG2      PRO   5  82.154   3.826   4.343
   31    HG3  PRO   5           HG3      PRO   5  81.309   3.249   5.816
   32    HD2  PRO   5           HD2      PRO   5  80.230   5.174   4.288
   33    HD3  PRO   5           HD3      PRO   5  80.158   5.309   6.066
   34    H    LYS   6           H        LYS   6  85.231   7.441   5.800
   35    HA   LYS   6           HA       LYS   6  86.329   6.721   3.154
   36    HB2  LYS   6           HB2      LYS   6  86.854   8.882   4.319
   37    HB3  LYS   6           HB3      LYS   6  87.684   7.969   5.588
   38    HG2  LYS   6           HG2      LYS   6  89.323   7.142   3.958
   39    HG3  LYS   6           HG3      LYS   6  88.453   7.928   2.627
   40    HD2  LYS   6           HD2      LYS   6  88.961  10.126   3.490
   41    HD3  LYS   6           HD3      LYS   6  89.613   9.445   5.001
   42    HE2  LYS   6           HE2      LYS   6  91.407   8.318   3.766
   43    HE3  LYS   6           HE3      LYS   6  90.774   8.917   2.225
   44    HZ1  LYS   6           HZ1      LYS   6  91.709  10.696   4.419
   45    HZ2  LYS   6           HZ2      LYS   6  92.656  10.221   3.176
   46    HZ3  LYS   6           HZ3      LYS   6  91.325  11.153   2.890
   47    H    GLY   7           H        GLY   7  87.912   5.165   2.772
   48    HA2  GLY   7           HA2      GLY   7  88.087   2.881   4.558
   49    HA3  GLY   7           HA3      GLY   7  88.924   3.084   3.025
   50    HA   PRO   8           HA       PRO   8  91.811   3.659   6.749
   51    HB2  PRO   8           HB2      PRO   8  92.967   1.213   7.086
   52    HB3  PRO   8           HB3      PRO   8  91.357   1.622   7.753
   53    HG2  PRO   8           HG2      PRO   8  91.986   0.162   5.173
   54    HG3  PRO   8           HG3      PRO   8  90.841  -0.323   6.462
   55    HD2  PRO   8           HD2      PRO   8  90.004   1.003   4.216
   56    HD3  PRO   8           HD3      PRO   8  89.264   1.297   5.815
   57    H    LYS   9           H        LYS   9  94.004   4.056   6.722
   58    HA   LYS   9           HA       LYS   9  95.421   4.377   4.251
   59    HB2  LYS   9           HB2      LYS   9  95.709   5.753   6.318
   60    HB3  LYS   9           HB3      LYS   9  96.401   4.352   7.142
   61    HG2  LYS   9           HG2      LYS   9  98.300   4.345   5.557
   62    HG3  LYS   9           HG3      LYS   9  97.597   5.727   4.692
   63    HD2  LYS   9           HD2      LYS   9  97.856   7.150   6.662
   64    HD3  LYS   9           HD3      LYS   9  98.339   5.754   7.653
   65    HE2  LYS   9           HE2      LYS   9 100.313   5.407   6.172
   66    HE3  LYS   9           HE3      LYS   9  99.884   6.865   5.263
   67    HZ1  LYS   9           HZ1      LYS   9 100.462   6.850   8.184
   68    HZ2  LYS   9           HZ2      LYS   9 101.588   7.168   7.050
   69    HZ3  LYS   9           HZ3      LYS   9 100.293   8.177   7.233
   70    H    GLY  10           H        GLY  10  97.069   3.276   3.296
   71    HA2  GLY  10           HA2      GLY  10  97.173   0.404   3.652
   72    HA3  GLY  10           HA3      GLY  10  98.099   1.352   2.499
   73    HA   PRO  11           HA       PRO  11 100.764  -0.287   6.082
   74    HB2  PRO  11           HB2      PRO  11 102.057  -2.396   4.903
   75    HB3  PRO  11           HB3      PRO  11 100.432  -2.532   5.640
   76    HG2  PRO  11           HG2      PRO  11 101.111  -2.089   2.712
   77    HG3  PRO  11           HG3      PRO  11 100.009  -3.318   3.414
   78    HD2  PRO  11           HD2      PRO  11  99.043  -0.980   2.433
   79    HD3  PRO  11           HD3      PRO  11  98.370  -1.691   3.926
   80    H    LYS  12           H        LYS  12 102.892   0.202   6.444
   81    HA   LYS  12           HA       LYS  12 104.399   1.875   4.665
   82    HB2  LYS  12           HB2      LYS  12 104.568   1.943   7.158
   83    HB3  LYS  12           HB3      LYS  12 105.177   0.292   7.173
   84    HG2  LYS  12           HG2      LYS  12 107.256   0.919   6.175
   85    HG3  LYS  12           HG3      LYS  12 106.662   2.538   5.757
   86    HD2  LYS  12           HD2      LYS  12 106.556   3.213   8.048
   87    HD3  LYS  12           HD3      LYS  12 106.837   1.577   8.648
   88    HE2  LYS  12           HE2      LYS  12 108.883   3.046   6.929
   89    HE3  LYS  12           HE3      LYS  12 108.797   3.279   8.678
   90    HZ1  LYS  12           HZ1      LYS  12 109.246   0.640   7.380
   91    HZ2  LYS  12           HZ2      LYS  12 110.397   1.549   8.120
   92    HZ3  LYS  12           HZ3      LYS  12 109.174   0.913   8.995
   93    H    GLY  13           H        GLY  13 106.178   1.535   3.417
   94    HA2  GLY  13           HA2      GLY  13 106.227  -0.964   1.992
   95    HA3  GLY  13           HA3      GLY  13 107.228   0.446   1.676
   96    HA   PRO  14           HA       PRO  14 109.717  -3.108   3.574
   97    HB2  PRO  14           HB2      PRO  14 110.889  -4.261   1.402
   98    HB3  PRO  14           HB3      PRO  14 109.212  -4.640   1.901
   99    HG2  PRO  14           HG2      PRO  14 110.119  -2.668  -0.216
  100    HG3  PRO  14           HG3      PRO  14 108.878  -3.952  -0.368
  101    HD2  PRO  14           HD2      PRO  14 108.211  -1.361   0.193
  102    HD3  PRO  14           HD3      PRO  14 107.319  -2.736   0.903
  103    H    LYS  15           H        LYS  15 111.939  -3.157   3.987
  104    HA   LYS  15           HA       LYS  15 113.487  -0.787   3.701
  105    HB2  LYS  15           HB2      LYS  15 113.747  -2.529   5.484
  106    HB3  LYS  15           HB3      LYS  15 114.364  -3.657   4.275
  107    HG2  LYS  15           HG2      LYS  15 116.331  -2.234   3.893
  108    HG3  LYS  15           HG3      LYS  15 115.691  -1.008   5.011
  109    HD2  LYS  15           HD2      LYS  15 115.888  -2.538   6.899
  110    HD3  LYS  15           HD3      LYS  15 116.227  -3.894   5.822
  111    HE2  LYS  15           HE2      LYS  15 118.291  -3.297   6.806
  112    HE3  LYS  15           HE3      LYS  15 118.357  -2.820   5.112
  113    HZ1  LYS  15           HZ1      LYS  15 117.822  -0.969   7.385
  114    HZ2  LYS  15           HZ2      LYS  15 119.264  -1.149   6.627
  115    HZ3  LYS  15           HZ3      LYS  15 117.982  -0.506   5.808
  116    H    GLY  16           H        GLY  16 115.076  -0.137   2.320
  117    HA2  GLY  16           HA2      GLY  16 115.003  -1.035  -0.394
  118    HA3  GLY  16           HA3      GLY  16 116.119   0.149   0.279
  119    HA   PRO  17           HA       PRO  17 118.348  -3.912  -0.739
  120    HB2  PRO  17           HB2      PRO  17 119.435  -3.424  -3.193
  121    HB3  PRO  17           HB3      PRO  17 117.758  -4.011  -2.975
  122    HG2  PRO  17           HG2      PRO  17 118.689  -1.155  -3.393
  123    HG3  PRO  17           HG3      PRO  17 117.384  -2.029  -4.259
  124    HD2  PRO  17           HD2      PRO  17 116.871  -0.367  -2.148
  125    HD3  PRO  17           HD3      PRO  17 115.922  -1.858  -2.425
  126    H    LYS  18           H        LYS  18 120.561  -4.276  -0.533
  127    HA   LYS  18           HA       LYS  18 122.127  -2.356   0.867
  128    HB2  LYS  18           HB2      LYS  18 122.209  -4.852   1.056
  129    HB3  LYS  18           HB3      LYS  18 122.964  -4.931  -0.542
  130    HG2  LYS  18           HG2      LYS  18 124.924  -3.694   0.311
  131    HG3  LYS  18           HG3      LYS  18 124.156  -3.541   1.905
  132    HD2  LYS  18           HD2      LYS  18 124.211  -5.954   2.222
  133    HD3  LYS  18           HD3      LYS  18 124.739  -6.208   0.542
  134    HE2  LYS  18           HE2      LYS  18 126.822  -4.960   0.991
  135    HE3  LYS  18           HE3      LYS  18 126.338  -4.722   2.679
  136    HZ1  LYS  18           HZ1      LYS  18 126.504  -7.084   3.037
  137    HZ2  LYS  18           HZ2      LYS  18 126.684  -7.405   1.438
  138    HZ3  LYS  18           HZ3      LYS  18 127.879  -6.641   2.236
  139    H    GLY  19           H        GLY  19 123.997  -1.230   0.378
  140    HA2  GLY  19           HA2      GLY  19 124.239  -0.149  -2.311
  141    HA3  GLY  19           HA3      GLY  19 125.225   0.263  -0.917
  142    HA   PRO  20           HA       PRO  20 127.597  -2.494  -3.967
  143    HB2  PRO  20           HB2      PRO  20 129.017  -0.713  -5.463
  144    HB3  PRO  20           HB3      PRO  20 127.311  -1.124  -5.819
  145    HG2  PRO  20           HG2      PRO  20 128.356   1.252  -4.243
  146    HG3  PRO  20           HG3      PRO  20 127.191   1.262  -5.607
  147    HD2  PRO  20           HD2      PRO  20 126.343   1.290  -3.015
  148    HD3  PRO  20           HD3      PRO  20 125.467   0.371  -4.270
  149    H    LYS  21           H        LYS  21 129.763  -3.126  -3.824
  150    HA   LYS  21           HA       LYS  21 131.261  -2.523  -1.467
  151    HB2  LYS  21           HB2      LYS  21 131.347  -4.670  -2.745
  152    HB3  LYS  21           HB3      LYS  21 132.107  -3.832  -4.102
  153    HG2  LYS  21           HG2      LYS  21 134.086  -3.342  -2.762
  154    HG3  LYS  21           HG3      LYS  21 133.331  -4.035  -1.314
  155    HD2  LYS  21           HD2      LYS  21 133.348  -6.257  -2.304
  156    HD3  LYS  21           HD3      LYS  21 133.870  -5.603  -3.876
  157    HE2  LYS  21           HE2      LYS  21 135.969  -4.790  -2.872
  158    HE3  LYS  21           HE3      LYS  21 135.480  -5.405  -1.285
  159    HZ1  LYS  21           HZ1      LYS  21 135.854  -7.131  -3.682
  160    HZ2  LYS  21           HZ2      LYS  21 137.008  -6.880  -2.555
  161    HZ3  LYS  21           HZ3      LYS  21 135.606  -7.646  -2.143
  162    H    GLY  22           H        GLY  22 133.076  -1.352  -1.051
  163    HA2  GLY  22           HA2      GLY  22 133.494   1.087  -2.570
  164    HA3  GLY  22           HA3      GLY  22 134.333   0.602  -1.104
  165    HA   PRO  23           HA       PRO  23 137.117   0.133  -4.913
  166    HB2  PRO  23           HB2      PRO  23 138.534   2.454  -4.967
  167    HB3  PRO  23           HB3      PRO  23 136.883   2.329  -5.646
  168    HG2  PRO  23           HG2      PRO  23 137.689   3.350  -2.903
  169    HG3  PRO  23           HG3      PRO  23 136.619   4.144  -4.105
  170    HD2  PRO  23           HD2      PRO  23 135.626   2.643  -2.042
  171    HD3  PRO  23           HD3      PRO  23 134.849   2.666  -3.652
  172    H    LYS  24           H        LYS  24 139.364  -0.322  -4.957
  173    HA   LYS  24           HA       LYS  24 140.581  -1.346  -2.604
  174    HB2  LYS  24           HB2      LYS  24 141.024  -2.082  -4.951
  175    HB3  LYS  24           HB3      LYS  24 141.796  -0.531  -5.288
  176    HG2  LYS  24           HG2      LYS  24 143.591  -1.019  -3.705
  177    HG3  LYS  24           HG3      LYS  24 142.794  -2.527  -3.207
  178    HD2  LYS  24           HD2      LYS  24 143.097  -3.476  -5.434
  179    HD3  LYS  24           HD3      LYS  24 143.702  -1.924  -6.060
  180    HE2  LYS  24           HE2      LYS  24 145.626  -2.030  -4.515
  181    HE3  LYS  24           HE3      LYS  24 145.045  -3.575  -3.869
  182    HZ1  LYS  24           HZ1      LYS  24 145.814  -3.122  -6.711
  183    HZ2  LYS  24           HZ2      LYS  24 146.778  -3.821  -5.592
  184    HZ3  LYS  24           HZ3      LYS  24 145.384  -4.562  -6.054
  185    H    GLY  25           H        GLY  25 142.174  -0.673  -1.244
  186    HA2  GLY  25           HA2      GLY  25 142.436   2.153  -0.704
  187    HA3  GLY  25           HA3      GLY  25 143.263   0.844   0.131
  188    HA   PRO  26           HA       PRO  26 146.199   3.260  -2.731
  189    HB2  PRO  26           HB2      PRO  26 147.417   5.014  -1.032
  190    HB3  PRO  26           HB3      PRO  26 145.828   5.351  -1.784
  191    HG2  PRO  26           HG2      PRO  26 146.371   4.194   0.969
  192    HG3  PRO  26           HG3      PRO  26 145.323   5.591   0.553
  193    HD2  PRO  26           HD2      PRO  26 144.283   3.100   0.890
  194    HD3  PRO  26           HD3      PRO  26 143.670   4.187  -0.389
  195    H    LYS  27           H        LYS  27 148.511   3.104  -2.839
  196    HA   LYS  27           HA       LYS  27 149.707   0.782  -1.705
  197    HB2  LYS  27           HB2      LYS  27 150.335   1.998  -3.846
  198    HB3  LYS  27           HB3      LYS  27 151.126   3.227  -2.851
  199    HG2  LYS  27           HG2      LYS  27 152.655   1.438  -1.940
  200    HG3  LYS  27           HG3      LYS  27 151.817   0.250  -2.945
  201    HD2  LYS  27           HD2      LYS  27 153.797   0.797  -4.114
  202    HD3  LYS  27           HD3      LYS  27 152.488   1.617  -4.977
  203    HE2  LYS  27           HE2      LYS  27 153.070   3.729  -3.675
  204    HE3  LYS  27           HE3      LYS  27 154.438   2.856  -2.971
  205    HZ1  LYS  27           HZ1      LYS  27 154.044   3.413  -5.873
  206    HZ2  LYS  27           HZ2      LYS  27 155.139   4.137  -4.906
  207    HZ3  LYS  27           HZ3      LYS  27 155.295   2.551  -5.266
  208    H    GLY  28           H        GLY  28 151.135   0.438  -0.050
  209    HA2  GLY  28           HA2      GLY  28 150.967   2.087   2.289
  210    HA3  GLY  28           HA3      GLY  28 152.023   0.696   2.072
  211    HA   PRO  29           HA       PRO  29 154.389   4.833   2.105
  212    HB2  PRO  29           HB2      PRO  29 155.472   4.813   4.638
  213    HB3  PRO  29           HB3      PRO  29 153.872   5.505   4.237
  214    HG2  PRO  29           HG2      PRO  29 154.494   2.763   5.344
  215    HG3  PRO  29           HG3      PRO  29 153.260   3.930   5.918
  216    HD2  PRO  29           HD2      PRO  29 152.609   1.865   4.268
  217    HD3  PRO  29           HD3      PRO  29 151.839   3.469   4.090
  218    H    LYS  30           H        LYS  30 156.678   5.114   2.105
  219    HA   LYS  30           HA       LYS  30 157.832   3.208   0.483
  220    HB2  LYS  30           HB2      LYS  30 159.139   5.467   2.055
  221    HB3  LYS  30           HB3      LYS  30 159.955   4.586   0.763
  222    HG2  LYS  30           HG2      LYS  30 158.293   5.321  -0.884
  223    HG3  LYS  30           HG3      LYS  30 157.313   6.061   0.378
  224    HD2  LYS  30           HD2      LYS  30 158.442   7.865  -0.637
  225    HD3  LYS  30           HD3      LYS  30 159.208   7.607   0.921
  226    HE2  LYS  30           HE2      LYS  30 160.985   8.023  -0.543
  227    HE3  LYS  30           HE3      LYS  30 161.030   6.275  -0.309
  228    HZ1  LYS  30           HZ1      LYS  30 159.765   7.635  -2.646
  229    HZ2  LYS  30           HZ2      LYS  30 161.257   6.978  -2.665
  230    HZ3  LYS  30           HZ3      LYS  30 159.961   6.008  -2.480
  231    H    GLY  31           H        GLY  31 158.366   3.390   3.947
  232    HA2  GLY  31           HA2      GLY  31 158.818   1.086   4.889
  233    HA3  GLY  31           HA3      GLY  31 160.231   1.029   3.835
  234    HN1  NH2  32           HN1      NH2  32 160.391   4.175   4.718
  235    HN2  NH2  32           HN2      NH2  32 161.270   4.023   6.225
  236    H1   ACE  33           H1       ACE  33  74.631   6.233   2.864
  237    H2   ACE  33           H2       ACE  33  74.048   5.627   4.430
  238    H3   ACE  33           H3       ACE  33  75.171   7.001   4.377
  239    H    ASP  34           H        ASP  34  74.883   3.618   3.303
  240    HA   ASP  34           HA       ASP  34  77.290   2.746   4.547
  241    HB2  ASP  34           HB2      ASP  34  75.357   1.318   4.083
  242    HB3  ASP  34           HB3      ASP  34  75.653   1.433   2.352
  243    HA   HYP  35           HA       HYP  35  79.339   2.849   0.081
  244    HB2  HYP  35           HB2      HYP  35  78.207   5.522  -0.751
  245    HB3  HYP  35           HB3      HYP  35  78.751   4.165  -1.781
  246    HG   HYP  35           HG       HYP  35  76.115   4.596  -1.306
  247   HD22  HYP  35          HD22      HYP  35  76.149   4.776   1.034
  248   HD23  HYP  35          HD23      HYP  35  75.796   3.035   0.886
  249    HD1  HYP  35           HD1      HYP  35  75.796   2.341  -1.460
  250    H    GLY  36           H        GLY  36  81.376   3.942  -0.389
  251    HA2  GLY  36           HA2      GLY  36  82.082   6.460   0.837
  252    HA3  GLY  36           HA3      GLY  36  82.594   5.103   1.829
  253    H    ASP  37           H        ASP  37  84.319   7.027   0.757
  254    HA   ASP  37           HA       ASP  37  85.556   6.140  -1.698
  255    HB2  ASP  37           HB2      ASP  37  86.026   8.397   0.274
  256    HB3  ASP  37           HB3      ASP  37  87.055   8.140  -1.123
  257    HA   HYP  38           HA       HYP  38  89.033   3.713  -0.317
  258    HB2  HYP  38           HB2      HYP  38  90.788   5.507  -1.967
  259    HB3  HYP  38           HB3      HYP  38  90.675   3.727  -1.982
  260    HG   HYP  38           HG       HYP  38  89.551   5.307  -3.923
  261   HD22  HYP  38          HD22      HYP  38  88.180   6.694  -2.654
  262   HD23  HYP  38          HD23      HYP  38  87.033   5.350  -2.908
  263    HD1  HYP  38           HD1      HYP  38  89.294   3.068  -3.977
  264    H    GLY  39           H        GLY  39  90.982   3.642   0.895
  265    HA2  GLY  39           HA2      GLY  39  91.661   5.987   2.561
  266    HA3  GLY  39           HA3      GLY  39  92.295   4.358   2.707
  267    H    ASP  40           H        ASP  40  94.007   6.439   2.990
  268    HA   ASP  40           HA       ASP  40  95.322   7.221   0.545
  269    HB2  ASP  40           HB2      ASP  40  95.833   7.584   3.513
  270    HB3  ASP  40           HB3      ASP  40  97.024   8.087   2.330
  271    HA   HYP  41           HA       HYP  41  98.606   4.181   0.096
  272    HB2  HYP  41           HB2      HYP  41 100.495   6.501  -0.094
  273    HB3  HYP  41           HB3      HYP  41 100.307   5.113  -1.196
  274    HG   HYP  41           HG       HYP  41  99.341   7.629  -1.759
  275   HD22  HYP  41          HD22      HYP  41  97.905   8.001   0.031
  276   HD23  HYP  41          HD23      HYP  41  96.759   7.122  -1.020
  277    HD1  HYP  41           HD1      HYP  41  99.065   5.902  -3.195
  278    H    GLY  42           H        GLY  42 100.279   3.204   1.278
  279    HA2  GLY  42           HA2      GLY  42 100.840   4.071   4.005
  280    HA3  GLY  42           HA3      GLY  42 101.566   2.715   3.160
  281    H    ASP  43           H        ASP  43 103.057   4.324   4.872
  282    HA   ASP  43           HA       ASP  43 104.556   6.358   3.533
  283    HB2  ASP  43           HB2      ASP  43 104.905   4.731   6.072
  284    HB3  ASP  43           HB3      ASP  43 106.125   5.873   5.538
  285    HA   HYP  44           HA       HYP  44 107.708   4.013   1.323
  286    HB2  HYP  44           HB2      HYP  44 109.675   5.987   2.446
  287    HB3  HYP  44           HB3      HYP  44 109.439   5.479   0.753
  288    HG   HYP  44           HG       HYP  44 108.546   7.891   1.702
  289   HD22  HYP  44          HD22      HYP  44 107.234   7.182   3.507
  290   HD23  HYP  44          HD23      HYP  44 105.989   7.163   2.225
  291    HD1  HYP  44           HD1      HYP  44 108.107   7.292  -0.422
  292    H    GLY  45           H        GLY  45 109.359   2.495   1.693
  293    HA2  GLY  45           HA2      GLY  45 109.858   1.562   4.395
  294    HA3  GLY  45           HA3      GLY  45 110.619   0.986   2.919
  295    H    ASP  46           H        ASP  46 112.095   1.122   5.213
  296    HA   ASP  46           HA       ASP  46 113.616   3.560   5.470
  297    HB2  ASP  46           HB2      ASP  46 113.877   0.714   6.506
  298    HB3  ASP  46           HB3      ASP  46 115.091   1.938   6.829
  299    HA   HYP  47           HA       HYP  47 116.751   3.017   2.339
  300    HB2  HYP  47           HB2      HYP  47 118.803   3.568   4.460
  301    HB3  HYP  47           HB3      HYP  47 118.611   4.327   2.856
  302    HG   HYP  47           HG       HYP  47 117.847   5.564   5.179
  303   HD22  HYP  47          HD22      HYP  47 116.356   3.997   6.071
  304   HD23  HYP  47          HD23      HYP  47 115.199   4.901   5.054
  305    HD1  HYP  47           HD1      HYP  47 116.384   6.735   3.922
  306    H    GLY  48           H        GLY  48 118.251   1.544   1.540
  307    HA2  GLY  48           HA2      GLY  48 118.714  -0.988   2.896
  308    HA3  GLY  48           HA3      GLY  48 119.473  -0.432   1.408
  309    H    ASP  49           H        ASP  49 120.896  -1.878   3.335
  310    HA   ASP  49           HA       ASP  49 122.335  -0.115   5.110
  311    HB2  ASP  49           HB2      ASP  49 122.634  -3.027   4.282
  312    HB3  ASP  49           HB3      ASP  49 123.616  -2.251   5.508
  313    HA   HYP  50           HA       HYP  50 125.799   1.144   2.619
  314    HB2  HYP  50           HB2      HYP  50 127.602   0.108   4.786
  315    HB3  HYP  50           HB3      HYP  50 127.597   1.710   4.005
  316    HG   HYP  50           HG       HYP  50 126.575   1.267   6.519
  317   HD22  HYP  50          HD22      HYP  50 124.971  -0.361   6.104
  318   HD23  HYP  50          HD23      HYP  50 123.960   1.070   5.760
  319    HD1  HYP  50           HD1      HYP  50 126.489   3.318   5.597
  320    H    GLY  51           H        GLY  51 127.283   0.342   1.150
  321    HA2  GLY  51           HA2      GLY  51 127.584  -2.499   0.689
  322    HA3  GLY  51           HA3      GLY  51 128.494  -1.205  -0.078
  323    H    ASP  52           H        ASP  52 129.708  -3.629   0.581
  324    HA   ASP  52           HA       ASP  52 131.063  -3.558   3.097
  325    HB2  ASP  52           HB2      ASP  52 131.382  -5.093   0.507
  326    HB3  ASP  52           HB3      ASP  52 132.577  -5.231   1.786
  327    HA   HYP  53           HA       HYP  53 134.570  -0.821   2.319
  328    HB2  HYP  53           HB2      HYP  53 136.180  -2.962   3.680
  329    HB3  HYP  53           HB3      HYP  53 136.148  -1.209   4.005
  330    HG   HYP  53           HG       HYP  53 134.892  -3.031   5.617
  331   HD22  HYP  53          HD22      HYP  53 133.507  -4.118   4.075
  332   HD23  HYP  53          HD23      HYP  53 132.400  -2.793   4.536
  333    HD1  HYP  53           HD1      HYP  53 133.475  -1.367   6.203
  334    H    GLY  54           H        GLY  54 136.260  -0.644   0.832
  335    HA2  GLY  54           HA2      GLY  54 136.656  -2.683  -1.180
  336    HA3  GLY  54           HA3      GLY  54 137.598  -1.213  -0.977
  337    H    ASP  55           H        ASP  55 138.872  -3.481  -1.818
  338    HA   ASP  55           HA       ASP  55 140.020  -5.028   0.303
  339    HB2  ASP  55           HB2      ASP  55 140.581  -4.635  -2.645
  340    HB3  ASP  55           HB3      ASP  55 141.691  -5.548  -1.640
  341    HA   HYP  56           HA       HYP  56 143.453  -2.534   1.731
  342    HB2  HYP  56           HB2      HYP  56 145.146  -4.989   1.393
  343    HB3  HYP  56           HB3      HYP  56 144.975  -3.929   2.817
  344    HG   HYP  56           HG       HYP  56 143.777  -6.401   2.631
  345   HD22  HYP  56          HD22      HYP  56 142.480  -6.158   0.718
  346   HD23  HYP  56          HD23      HYP  56 141.316  -5.483   1.892
  347    HD1  HYP  56           HD1      HYP  56 143.474  -5.146   4.466
  348    H    GLY  57           H        GLY  57 145.204  -1.375   0.918
  349    HA2  GLY  57           HA2      GLY  57 145.917  -1.530  -1.898
  350    HA3  GLY  57           HA3      GLY  57 146.673  -0.523  -0.674
  351    H    ASP  58           H        ASP  58 148.287  -1.576  -2.579
  352    HA   ASP  58           HA       ASP  58 149.528  -4.056  -1.679
  353    HB2  ASP  58           HB2      ASP  58 149.962  -2.082  -3.932
  354    HB3  ASP  58           HB3      ASP  58 151.179  -3.284  -3.564
  355    HA   HYP  59           HA       HYP  59 152.641  -2.508   1.005
  356    HB2  HYP  59           HB2      HYP  59 154.797  -3.954  -0.463
  357    HB3  HYP  59           HB3      HYP  59 154.293  -4.119   1.235
  358    HG   HYP  59           HG       HYP  59 153.743  -5.973  -0.740
  359   HD22  HYP  59          HD22      HYP  59 152.445  -4.712  -2.193
  360   HD23  HYP  59          HD23      HYP  59 151.141  -5.228  -1.092
  361    HD1  HYP  59           HD1      HYP  59 152.094  -6.705   0.605
  362    H    GLY  60           H        GLY  60 154.420  -1.046   1.251
  363    HA2  GLY  60           HA2      GLY  60 155.383   0.540  -1.028
  364    HA3  GLY  60           HA3      GLY  60 155.988   0.586   0.625
  365    H    ASP  61           H        ASP  61 157.801   0.691  -1.408
  366    HA   ASP  61           HA       ASP  61 159.149  -1.990  -1.371
  367    HB2  ASP  61           HB2      ASP  61 157.652  -1.096  -3.560
  368    HB3  ASP  61           HB3      ASP  61 159.099  -0.182  -3.834
  369    HA   HYP  62           HA       HYP  62 162.678   0.779  -2.567
  370    HB2  HYP  62           HB2      HYP  62 162.765   3.490  -2.361
  371    HB3  HYP  62           HB3      HYP  62 161.942   2.630  -3.694
  372    HG   HYP  62           HG       HYP  62 160.728   3.783  -1.168
  373   HD22  HYP  62          HD22      HYP  62 159.142   2.122  -1.085
  374   HD23  HYP  62          HD23      HYP  62 159.182   1.841  -2.854
  375    HD1  HYP  62           HD1      HYP  62 159.971   3.749  -3.938
  376    H    GLY  63           H        GLY  63 161.280   1.186   0.564
  377    HA2  GLY  63           HA2      GLY  63 163.397   2.449   1.978
  378    HA3  GLY  63           HA3      GLY  63 162.172   1.378   2.660
  379    HN1  NH2  64           HN1      NH2  64 163.326  -0.844   0.719
  380    HN2  NH2  64           HN2      NH2  64 164.751  -1.391   1.584
  381    H1   ACE  65           H1       ACE  65  83.576   0.551  -7.213
  382    H2   ACE  65           H2       ACE  65  85.095   0.401  -6.302
  383    H3   ACE  65           H3       ACE  65  84.391  -1.024  -7.104
  384    HA   PRO  66           HA       PRO  66  82.240  -1.886  -3.308
  385    HB2  PRO  66           HB2      PRO  66  84.073  -2.884  -1.532
  386    HB3  PRO  66           HB3      PRO  66  83.604  -3.738  -3.033
  387    HG2  PRO  66           HG2      PRO  66  86.017  -1.953  -2.583
  388    HG3  PRO  66           HG3      PRO  66  85.975  -3.592  -3.311
  389    HD2  PRO  66           HD2      PRO  66  85.985  -1.320  -4.828
  390    HD3  PRO  66           HD3      PRO  66  85.064  -2.772  -5.325
  391    HA   HYP  67           HA       HYP  67  82.304   1.537  -0.421
  392    HB2  HYP  67           HB2      HYP  67  81.992  -0.469   1.807
  393    HB3  HYP  67           HB3      HYP  67  81.057   1.021   1.500
  394    HG   HYP  67           HG       HYP  67  80.076  -1.452   0.877
  395   HD22  HYP  67          HD22      HYP  67  81.826  -2.296  -0.431
  396   HD23  HYP  67          HD23      HYP  67  80.848  -1.543  -1.722
  397    HD1  HYP  67           HD1      HYP  67  78.824   0.225   0.281
  398    H    GLY  68           H        GLY  68  83.654   2.651   0.799
  399    HA2  GLY  68           HA2      GLY  68  86.059   3.243   1.124
  400    HA3  GLY  68           HA3      GLY  68  85.381   2.750   2.660
  401    HA   PRO  69           HA       PRO  69  88.142  -0.871   1.251
  402    HB2  PRO  69           HB2      PRO  69  89.632  -0.795  -1.041
  403    HB3  PRO  69           HB3      PRO  69  87.892  -1.212  -1.020
  404    HG2  PRO  69           HG2      PRO  69  89.148   1.494  -1.584
  405    HG3  PRO  69           HG3      PRO  69  87.922   0.622  -2.563
  406    HD2  PRO  69           HD2      PRO  69  87.210   2.545  -0.763
  407    HD3  PRO  69           HD3      PRO  69  86.217   1.088  -1.014
  408    HA   HYP  70           HA       HYP  70  92.109   0.523   2.955
  409    HB2  HYP  70           HB2      HYP  70  93.367  -1.730   1.415
  410    HB3  HYP  70           HB3      HYP  70  93.550  -1.317   3.139
  411    HG   HYP  70           HG       HYP  70  91.995  -3.395   2.251
  412   HD22  HYP  70          HD22      HYP  70  90.503  -2.317   0.832
  413   HD23  HYP  70          HD23      HYP  70  89.613  -2.077   2.360
  414    HD1  HYP  70           HD1      HYP  70  91.077  -1.612   4.286
  415    H    GLY  71           H        GLY  71  93.885   1.768   2.379
  416    HA2  GLY  71           HA2      GLY  71  94.202   2.628  -0.381
  417    HA3  GLY  71           HA3      GLY  71  95.172   3.135   0.994
  418    HA   PRO  72           HA       PRO  72  97.434  -0.018  -1.747
  419    HB2  PRO  72           HB2      PRO  72  99.131   1.959  -3.002
  420    HB3  PRO  72           HB3      PRO  72  97.944   0.862  -3.756
  421    HG2  PRO  72           HG2      PRO  72  97.691   3.679  -3.471
  422    HG3  PRO  72           HG3      PRO  72  96.413   2.527  -3.923
  423    HD2  PRO  72           HD2      PRO  72  96.885   3.825  -1.295
  424    HD3  PRO  72           HD3      PRO  72  95.385   3.186  -2.015
  425    HA   HYP  73           HA       HYP  73 100.919  -0.163   0.997
  426    HB2  HYP  73           HB2      HYP  73 102.900  -1.276  -0.727
  427    HB3  HYP  73           HB3      HYP  73 101.769  -2.142   0.331
  428    HG   HYP  73           HG       HYP  73 101.731  -1.844  -2.596
  429   HD22  HYP  73          HD22      HYP  73  99.885  -0.595  -2.874
  430   HD23  HYP  73          HD23      HYP  73  98.953  -1.633  -1.762
  431    HD1  HYP  73           HD1      HYP  73 100.403  -3.660  -2.388
  432    H    GLY  74           H        GLY  74 102.886   0.862   1.561
  433    HA2  GLY  74           HA2      GLY  74 103.753   3.176   0.017
  434    HA3  GLY  74           HA3      GLY  74 104.508   2.530   1.469
  435    HA   PRO  75           HA       PRO  75 106.714   1.168  -2.546
  436    HB2  PRO  75           HB2      PRO  75 108.525   3.144  -3.119
  437    HB3  PRO  75           HB3      PRO  75 106.817   3.200  -3.651
  438    HG2  PRO  75           HG2      PRO  75 108.045   4.497  -1.195
  439    HG3  PRO  75           HG3      PRO  75 107.012   5.264  -2.447
  440    HD2  PRO  75           HD2      PRO  75 105.962   4.354  -0.105
  441    HD3  PRO  75           HD3      PRO  75 105.074   4.179  -1.646
  442    HA   HYP  76           HA       HYP  76 110.426  -0.394  -0.451
  443    HB2  HYP  76           HB2      HYP  76 111.879   0.227  -3.005
  444    HB3  HYP  76           HB3      HYP  76 111.884  -1.281  -2.053
  445    HG   HYP  76           HG       HYP  76 110.461  -0.987  -4.388
  446   HD22  HYP  76          HD22      HYP  76 109.101   0.831  -3.895
  447   HD23  HYP  76          HD23      HYP  76 108.052  -0.445  -3.215
  448    HD1  HYP  76           HD1      HYP  76 110.371  -2.919  -3.248
  449    H    GLY  77           H        GLY  77 112.159   0.475   0.695
  450    HA2  GLY  77           HA2      GLY  77 112.645   3.319   0.693
  451    HA3  GLY  77           HA3      GLY  77 113.609   2.106   1.526
  452    HA   PRO  78           HA       PRO  78 115.743   3.841  -2.344
  453    HB2  PRO  78           HB2      PRO  78 117.679   5.383  -0.856
  454    HB3  PRO  78           HB3      PRO  78 116.450   5.943  -2.017
  455    HG2  PRO  78           HG2      PRO  78 116.432   6.279   0.835
  456    HG3  PRO  78           HG3      PRO  78 115.147   6.706  -0.323
  457    HD2  PRO  78           HD2      PRO  78 115.266   4.424   1.523
  458    HD3  PRO  78           HD3      PRO  78 113.881   5.089   0.618
  459    HA   HYP  79           HA       HYP  79 119.093   0.824  -1.929
  460    HB2  HYP  79           HB2      HYP  79 120.742   2.730  -3.562
  461    HB3  HYP  79           HB3      HYP  79 120.490   0.980  -3.796
  462    HG   HYP  79           HG       HYP  79 119.238   2.880  -5.325
  463   HD22  HYP  79          HD22      HYP  79 118.118   4.138  -3.706
  464   HD23  HYP  79          HD23      HYP  79 116.878   2.874  -3.960
  465    HD1  HYP  79           HD1      HYP  79 117.616   1.338  -5.680
  466    H    GLY  80           H        GLY  80 120.949   0.503  -0.681
  467    HA2  GLY  80           HA2      GLY  80 121.745   2.511   1.228
  468    HA3  GLY  80           HA3      GLY  80 122.518   0.949   0.975
  469    HA   PRO  81           HA       PRO  81 125.043   4.556  -0.826
  470    HB2  PRO  81           HB2      PRO  81 126.805   5.208   1.169
  471    HB3  PRO  81           HB3      PRO  81 125.152   5.887   1.064
  472    HG2  PRO  81           HG2      PRO  81 126.093   3.522   2.713
  473    HG3  PRO  81           HG3      PRO  81 125.127   4.931   3.259
  474    HD2  PRO  81           HD2      PRO  81 123.950   2.569   2.565
  475    HD3  PRO  81           HD3      PRO  81 123.185   4.138   2.180
  476    HA   HYP  82           HA       HYP  82 128.523   1.865  -1.936
  477    HB2  HYP  82           HB2      HYP  82 130.245   4.313  -1.724
  478    HB3  HYP  82           HB3      HYP  82 130.142   3.125  -3.050
  479    HG   HYP  82           HG       HYP  82 128.991   5.608  -3.190
  480   HD22  HYP  82          HD22      HYP  82 127.601   5.586  -1.312
  481   HD23  HYP  82          HD23      HYP  82 126.468   4.843  -2.477
  482    HD1  HYP  82           HD1      HYP  82 127.565   4.721  -4.689
  483    H    GLY  83           H        GLY  83 130.124   0.714  -0.880
  484    HA2  GLY  83           HA2      GLY  83 130.719   1.174   1.923
  485    HA3  GLY  83           HA3      GLY  83 131.529   0.031   0.854
  486    HA   PRO  84           HA       PRO  84 134.042   4.009   1.611
  487    HB2  PRO  84           HB2      PRO  84 135.718   3.370   3.688
  488    HB3  PRO  84           HB3      PRO  84 134.062   4.006   3.921
  489    HG2  PRO  84           HG2      PRO  84 134.965   1.110   3.949
  490    HG3  PRO  84           HG3      PRO  84 133.954   1.962   5.162
  491    HD2  PRO  84           HD2      PRO  84 132.842   0.444   3.190
  492    HD3  PRO  84           HD3      PRO  84 132.076   1.966   3.730
  493    HA   HYP  85           HA       HYP  85 137.686   2.483  -0.635
  494    HB2  HYP  85           HB2      HYP  85 139.266   4.333   1.126
  495    HB3  HYP  85           HB3      HYP  85 139.319   4.157  -0.649
  496    HG   HYP  85           HG       HYP  85 138.046   6.249   0.595
  497   HD22  HYP  85          HD22      HYP  85 136.552   5.114   1.982
  498   HD23  HYP  85          HD23      HYP  85 135.529   5.208   0.520
  499    HD1  HYP  85           HD1      HYP  85 138.000   6.061  -1.649
  500    H    GLY  86           H        GLY  86 139.194   0.858  -0.290
  501    HA2  GLY  86           HA2      GLY  86 139.269  -0.541   2.196
  502    HA3  GLY  86           HA3      GLY  86 140.358  -0.810   0.837
  503    HA   PRO  87           HA       PRO  87 142.481   1.323   4.509
  504    HB2  PRO  87           HB2      PRO  87 144.000  -1.019   5.241
  505    HB3  PRO  87           HB3      PRO  87 142.809  -0.110   6.205
  506    HG2  PRO  87           HG2      PRO  87 142.474  -2.710   5.052
  507    HG3  PRO  87           HG3      PRO  87 141.240  -1.711   5.857
  508    HD2  PRO  87           HD2      PRO  87 141.624  -2.195   2.975
  509    HD3  PRO  87           HD3      PRO  87 140.201  -1.571   3.851
  510    HA   HYP  88           HA       HYP  88 146.191   1.876   1.944
  511    HB2  HYP  88           HB2      HYP  88 147.628   2.251   4.553
  512    HB3  HYP  88           HB3      HYP  88 147.664   3.278   3.096
  513    HG   HYP  88           HG       HYP  88 146.240   3.936   5.358
  514   HD22  HYP  88          HD22      HYP  88 144.823   2.102   5.582
  515   HD23  HYP  88          HD23      HYP  88 143.822   3.065   4.454
  516    HD1  HYP  88           HD1      HYP  88 146.179   5.299   3.581
  517    H    GLY  89           H        GLY  89 147.971   0.624   1.306
  518    HA2  GLY  89           HA2      GLY  89 148.256  -2.066   2.290
  519    HA3  GLY  89           HA3      GLY  89 149.361  -1.241   1.195
  520    HA   PRO  90           HA       PRO  90 151.112  -1.745   5.571
  521    HB2  PRO  90           HB2      PRO  90 152.878  -3.831   5.272
  522    HB3  PRO  90           HB3      PRO  90 151.147  -4.041   5.676
  523    HG2  PRO  90           HG2      PRO  90 152.459  -4.188   2.954
  524    HG3  PRO  90           HG3      PRO  90 151.318  -5.362   3.688
  525    HD2  PRO  90           HD2      PRO  90 150.480  -3.453   1.933
  526    HD3  PRO  90           HD3      PRO  90 149.476  -3.919   3.340
  527    HA   HYP  91           HA       HYP  91 154.781   0.651   4.503
  528    HB2  HYP  91           HB2      HYP  91 156.215  -0.850   6.676
  529    HB3  HYP  91           HB3      HYP  91 156.120   0.911   6.407
  530    HG   HYP  91           HG       HYP  91 154.669  -0.396   8.348
  531   HD22  HYP  91          HD22      HYP  91 153.442  -1.925   7.100
  532   HD23  HYP  91          HD23      HYP  91 152.343  -0.526   6.927
  533    HD1  HYP  91           HD1      HYP  91 154.465   1.830   8.074
  534    H    GLY  92           H        GLY  92 156.651   0.450   3.278
  535    HA2  GLY  92           HA2      GLY  92 157.429  -2.053   2.107
  536    HA3  GLY  92           HA3      GLY  92 158.338  -0.540   2.029
  537    HA   PRO  93           HA       PRO  93 160.333  -3.875   4.732
  538    HB2  PRO  93           HB2      PRO  93 162.578  -4.455   3.226
  539    HB3  PRO  93           HB3      PRO  93 160.991  -5.250   3.022
  540    HG2  PRO  93           HG2      PRO  93 162.127  -2.927   1.442
  541    HG3  PRO  93           HG3      PRO  93 161.339  -4.413   0.821
  542    HD2  PRO  93           HD2      PRO  93 159.983  -2.065   1.102
  543    HD3  PRO  93           HD3      PRO  93 159.195  -3.640   1.427
  544    HA   HYP  94           HA       HYP  94 163.103  -0.893   6.533
  545    HB2  HYP  94           HB2      HYP  94 164.581  -2.379   8.270
  546    HB3  HYP  94           HB3      HYP  94 162.818  -2.151   8.446
  547    HG   HYP  94           HG       HYP  94 164.287  -4.503   7.200
  548   HD22  HYP  94          HD22      HYP  94 162.522  -4.857   5.725
  549   HD23  HYP  94          HD23      HYP  94 161.330  -4.073   6.803
  550    HD1  HYP  94           HD1      HYP  94 162.792  -5.631   8.534
  551    H    GLY  95           H        GLY  95 164.365  -3.168   4.335
  552    HA2  GLY  95           HA2      GLY  95 166.518  -1.522   3.502
  553    HA3  GLY  95           HA3      GLY  95 167.187  -2.796   4.526
  554    HN1  NH2  96           HN1      NH2  96 165.555  -5.023   3.765
  555    HN2  NH2  96           HN2      NH2  96 165.832  -5.353   2.068
  Start of MODEL   12
    1    H1   ACE   1           H1       ACE   1  72.848   3.208   4.510
    2    H2   ACE   1           H2       ACE   1  72.735   2.551   2.863
    3    H3   ACE   1           H3       ACE   1  71.885   1.745   4.204
    4    HA   PRO   2           HA       PRO   2  75.470  -0.788   4.748
    5    HB2  PRO   2           HB2      PRO   2  75.439  -2.705   2.829
    6    HB3  PRO   2           HB3      PRO   2  74.056  -2.472   3.937
    7    HG2  PRO   2           HG2      PRO   2  74.381  -1.341   1.131
    8    HG3  PRO   2           HG3      PRO   2  73.005  -2.296   1.779
    9    HD2  PRO   2           HD2      PRO   2  72.990   0.439   1.734
   10    HD3  PRO   2           HD3      PRO   2  72.230  -0.483   3.066
   11    H    LYS   3           H        LYS   3  75.792   1.527   2.511
   12    HA   LYS   3           HA       LYS   3  78.594   0.940   1.747
   13    HB2  LYS   3           HB2      LYS   3  78.126   1.369  -0.616
   14    HB3  LYS   3           HB3      LYS   3  77.283  -0.070  -0.041
   15    HG2  LYS   3           HG2      LYS   3  75.163   1.276   0.120
   16    HG3  LYS   3           HG3      LYS   3  76.048   2.684  -0.502
   17    HD2  LYS   3           HD2      LYS   3  76.628   1.304  -2.548
   18    HD3  LYS   3           HD3      LYS   3  75.535   0.044  -1.941
   19    HE2  LYS   3           HE2      LYS   3  73.644   1.618  -2.004
   20    HE3  LYS   3           HE3      LYS   3  74.728   2.945  -2.450
   21    HZ1  LYS   3           HZ1      LYS   3  75.236   1.763  -4.526
   22    HZ2  LYS   3           HZ2      LYS   3  74.208   0.549  -4.129
   23    HZ3  LYS   3           HZ3      LYS   3  73.624   2.052  -4.409
   24    H    GLY   4           H        GLY   4  79.763   2.786   1.006
   25    HA2  GLY   4           HA2      GLY   4  79.449   5.293   0.538
   26    HA3  GLY   4           HA3      GLY   4  78.828   5.153   2.181
   27    HA   PRO   5           HA       PRO   5  82.500   5.851   4.141
   28    HB2  PRO   5           HB2      PRO   5  83.144   3.578   5.644
   29    HB3  PRO   5           HB3      PRO   5  82.346   5.058   6.187
   30    HG2  PRO   5           HG2      PRO   5  81.110   2.488   5.867
   31    HG3  PRO   5           HG3      PRO   5  80.316   4.050   6.201
   32    HD2  PRO   5           HD2      PRO   5  80.439   2.547   3.712
   33    HD3  PRO   5           HD3      PRO   5  79.361   3.898   4.153
   34    H    LYS   6           H        LYS   6  84.514   6.152   3.820
   35    HA   LYS   6           HA       LYS   6  85.846   4.972   1.612
   36    HB2  LYS   6           HB2      LYS   6  86.027   7.373   2.275
   37    HB3  LYS   6           HB3      LYS   6  86.732   6.913   3.817
   38    HG2  LYS   6           HG2      LYS   6  88.779   6.215   2.827
   39    HG3  LYS   6           HG3      LYS   6  88.109   6.279   1.187
   40    HD2  LYS   6           HD2      LYS   6  87.949   8.666   1.228
   41    HD3  LYS   6           HD3      LYS   6  88.307   8.758   2.956
   42    HE2  LYS   6           HE2      LYS   6  90.276   7.603   0.934
   43    HE3  LYS   6           HE3      LYS   6  90.194   9.333   1.276
   44    HZ1  LYS   6           HZ1      LYS   6  90.730   7.269   3.352
   45    HZ2  LYS   6           HZ2      LYS   6  91.873   8.208   2.646
   46    HZ3  LYS   6           HZ3      LYS   6  90.719   8.893   3.583
   47    H    GLY   7           H        GLY   7  87.661   3.752   1.357
   48    HA2  GLY   7           HA2      GLY   7  88.060   1.660   3.281
   49    HA3  GLY   7           HA3      GLY   7  88.925   1.867   1.768
   50    HA   PRO   8           HA       PRO   8  91.664   2.949   5.494
   51    HB2  PRO   8           HB2      PRO   8  92.925   0.603   6.086
   52    HB3  PRO   8           HB3      PRO   8  91.292   1.002   6.701
   53    HG2  PRO   8           HG2      PRO   8  91.998  -0.650   4.253
   54    HG3  PRO   8           HG3      PRO   8  90.903  -1.099   5.603
   55    HD2  PRO   8           HD2      PRO   8  89.926  -0.042   3.298
   56    HD3  PRO   8           HD3      PRO   8  89.239   0.410   4.880
   57    H    LYS   9           H        LYS   9  93.943   3.159   5.568
   58    HA   LYS   9           HA       LYS   9  95.359   3.558   3.125
   59    HB2  LYS   9           HB2      LYS   9  95.745   4.759   5.284
   60    HB3  LYS   9           HB3      LYS   9  96.331   3.258   6.006
   61    HG2  LYS   9           HG2      LYS   9  98.242   3.223   4.466
   62    HG3  LYS   9           HG3      LYS   9  97.646   4.682   3.648
   63    HD2  LYS   9           HD2      LYS   9  97.974   6.008   5.667
   64    HD3  LYS   9           HD3      LYS   9  98.326   4.548   6.622
   65    HE2  LYS   9           HE2      LYS   9 100.310   4.094   5.202
   66    HE3  LYS   9           HE3      LYS   9 100.000   5.576   4.283
   67    HZ1  LYS   9           HZ1      LYS   9 100.541   5.513   7.211
   68    HZ2  LYS   9           HZ2      LYS   9 101.676   5.814   6.074
   69    HZ3  LYS   9           HZ3      LYS   9 100.418   6.860   6.281
   70    H    GLY  10           H        GLY  10  96.941   2.459   2.062
   71    HA2  GLY  10           HA2      GLY  10  96.958  -0.438   2.224
   72    HA3  GLY  10           HA3      GLY  10  97.869   0.562   1.104
   73    HA   PRO  11           HA       PRO  11 100.583  -1.323   4.515
   74    HB2  PRO  11           HB2      PRO  11 101.753  -3.447   3.252
   75    HB3  PRO  11           HB3      PRO  11 100.127  -3.531   3.996
   76    HG2  PRO  11           HG2      PRO  11 100.810  -3.022   1.081
   77    HG3  PRO  11           HG3      PRO  11  99.651  -4.217   1.750
   78    HD2  PRO  11           HD2      PRO  11  98.821  -1.784   0.850
   79    HD3  PRO  11           HD3      PRO  11  98.088  -2.536   2.296
   80    H    LYS  12           H        LYS  12 102.774  -1.048   4.823
   81    HA   LYS  12           HA       LYS  12 104.292   0.710   3.143
   82    HB2  LYS  12           HB2      LYS  12 104.536   0.517   5.624
   83    HB3  LYS  12           HB3      LYS  12 105.107  -1.140   5.445
   84    HG2  LYS  12           HG2      LYS  12 107.157  -0.435   4.407
   85    HG3  LYS  12           HG3      LYS  12 106.575   1.233   4.225
   86    HD2  LYS  12           HD2      LYS  12 106.542   1.569   6.618
   87    HD3  LYS  12           HD3      LYS  12 106.926  -0.124   6.942
   88    HE2  LYS  12           HE2      LYS  12 108.787   1.665   5.320
   89    HE3  LYS  12           HE3      LYS  12 108.811   1.675   7.086
   90    HZ1  LYS  12           HZ1      LYS  12 109.281  -0.757   5.441
   91    HZ2  LYS  12           HZ2      LYS  12 110.441   0.118   6.212
   92    HZ3  LYS  12           HZ3      LYS  12 109.314  -0.686   7.079
   93    H    GLY  13           H        GLY  13 106.000   0.410   1.786
   94    HA2  GLY  13           HA2      GLY  13 105.933  -1.980   0.175
   95    HA3  GLY  13           HA3      GLY  13 106.960  -0.573  -0.073
   96    HA   PRO  14           HA       PRO  14 109.390  -4.318   1.515
   97    HB2  PRO  14           HB2      PRO  14 110.461  -5.375  -0.758
   98    HB3  PRO  14           HB3      PRO  14 108.789  -5.732  -0.227
   99    HG2  PRO  14           HG2      PRO  14 109.693  -3.657  -2.245
  100    HG3  PRO  14           HG3      PRO  14 108.414  -4.897  -2.443
  101    HD2  PRO  14           HD2      PRO  14 107.818  -2.338  -1.705
  102    HD3  PRO  14           HD3      PRO  14 106.930  -3.734  -1.032
  103    H    LYS  15           H        LYS  15 111.603  -4.478   1.862
  104    HA   LYS  15           HA       LYS  15 113.269  -2.171   1.625
  105    HB2  LYS  15           HB2      LYS  15 113.443  -3.957   3.365
  106    HB3  LYS  15           HB3      LYS  15 113.993  -5.094   2.130
  107    HG2  LYS  15           HG2      LYS  15 116.026  -3.766   1.758
  108    HG3  LYS  15           HG3      LYS  15 115.456  -2.527   2.900
  109    HD2  LYS  15           HD2      LYS  15 115.587  -4.102   4.761
  110    HD3  LYS  15           HD3      LYS  15 115.863  -5.450   3.656
  111    HE2  LYS  15           HE2      LYS  15 117.955  -4.952   4.640
  112    HE3  LYS  15           HE3      LYS  15 118.032  -4.453   2.953
  113    HZ1  LYS  15           HZ1      LYS  15 117.574  -2.612   5.251
  114    HZ2  LYS  15           HZ2      LYS  15 119.011  -2.852   4.505
  115    HZ3  LYS  15           HZ3      LYS  15 117.765  -2.135   3.682
  116    H    GLY  16           H        GLY  16 114.876  -1.595   0.238
  117    HA2  GLY  16           HA2      GLY  16 114.767  -2.478  -2.488
  118    HA3  GLY  16           HA3      GLY  16 115.938  -1.356  -1.807
  119    HA   PRO  17           HA       PRO  17 117.990  -5.518  -2.799
  120    HB2  PRO  17           HB2      PRO  17 119.063  -5.122  -5.270
  121    HB3  PRO  17           HB3      PRO  17 117.357  -5.608  -5.030
  122    HG2  PRO  17           HG2      PRO  17 118.447  -2.816  -5.495
  123    HG3  PRO  17           HG3      PRO  17 117.086  -3.623  -6.338
  124    HD2  PRO  17           HD2      PRO  17 116.698  -1.909  -4.234
  125    HD3  PRO  17           HD3      PRO  17 115.650  -3.334  -4.504
  126    H    LYS  18           H        LYS  18 120.238  -5.969  -2.714
  127    HA   LYS  18           HA       LYS  18 121.857  -4.157  -1.265
  128    HB2  LYS  18           HB2      LYS  18 121.945  -6.655  -1.250
  129    HB3  LYS  18           HB3      LYS  18 122.668  -6.626  -2.864
  130    HG2  LYS  18           HG2      LYS  18 124.630  -5.446  -1.986
  131    HG3  LYS  18           HG3      LYS  18 123.898  -5.369  -0.368
  132    HD2  LYS  18           HD2      LYS  18 123.943  -7.826  -0.216
  133    HD3  LYS  18           HD3      LYS  18 124.563  -7.937  -1.880
  134    HE2  LYS  18           HE2      LYS  18 126.587  -6.661  -1.206
  135    HE3  LYS  18           HE3      LYS  18 125.992  -6.585   0.460
  136    HZ1  LYS  18           HZ1      LYS  18 126.594  -9.105  -1.008
  137    HZ2  LYS  18           HZ2      LYS  18 127.602  -8.419   0.069
  138    HZ3  LYS  18           HZ3      LYS  18 126.145  -9.006   0.568
  139    H    GLY  19           H        GLY  19 123.701  -2.985  -1.701
  140    HA2  GLY  19           HA2      GLY  19 123.827  -1.640  -4.267
  141    HA3  GLY  19           HA3      GLY  19 124.837  -1.340  -2.862
  142    HA   PRO  20           HA       PRO  20 127.338  -3.486  -6.250
  143    HB2  PRO  20           HB2      PRO  20 128.654  -1.416  -7.419
  144    HB3  PRO  20           HB3      PRO  20 126.954  -1.805  -7.821
  145    HG2  PRO  20           HG2      PRO  20 127.964   0.282  -5.858
  146    HG3  PRO  20           HG3      PRO  20 126.773   0.498  -7.179
  147    HD2  PRO  20           HD2      PRO  20 126.004   0.018  -4.595
  148    HD3  PRO  20           HD3      PRO  20 125.094  -0.629  -5.987
  149    H    LYS  21           H        LYS  21 129.594  -3.949  -6.253
  150    HA   LYS  21           HA       LYS  21 130.962  -3.911  -3.793
  151    HB2  LYS  21           HB2      LYS  21 131.353  -5.531  -5.656
  152    HB3  LYS  21           HB3      LYS  21 132.059  -4.239  -6.630
  153    HG2  LYS  21           HG2      LYS  21 133.909  -3.989  -5.057
  154    HG3  LYS  21           HG3      LYS  21 133.192  -5.182  -3.958
  155    HD2  LYS  21           HD2      LYS  21 133.549  -6.960  -5.588
  156    HD3  LYS  21           HD3      LYS  21 134.048  -5.782  -6.826
  157    HE2  LYS  21           HE2      LYS  21 135.955  -5.083  -5.407
  158    HE3  LYS  21           HE3      LYS  21 135.490  -6.263  -4.173
  159    HZ1  LYS  21           HZ1      LYS  21 136.257  -6.983  -6.957
  160    HZ2  LYS  21           HZ2      LYS  21 137.283  -7.016  -5.687
  161    HZ3  LYS  21           HZ3      LYS  21 135.987  -8.034  -5.727
  162    H    GLY  22           H        GLY  22 132.610  -2.779  -2.875
  163    HA2  GLY  22           HA2      GLY  22 132.835   0.038  -3.488
  164    HA3  GLY  22           HA3      GLY  22 133.676  -0.838  -2.212
  165    HA   PRO  23           HA       PRO  23 136.666   0.242  -5.723
  166    HB2  PRO  23           HB2      PRO  23 137.785   2.585  -4.917
  167    HB3  PRO  23           HB3      PRO  23 136.204   2.524  -5.754
  168    HG2  PRO  23           HG2      PRO  23 136.719   2.691  -2.766
  169    HG3  PRO  23           HG3      PRO  23 135.628   3.713  -3.756
  170    HD2  PRO  23           HD2      PRO  23 134.726   1.535  -2.358
  171    HD3  PRO  23           HD3      PRO  23 134.029   2.004  -3.937
  172    H    LYS  24           H        LYS  24 138.939   0.017  -5.689
  173    HA   LYS  24           HA       LYS  24 140.139  -1.502  -3.597
  174    HB2  LYS  24           HB2      LYS  24 140.796  -1.538  -6.009
  175    HB3  LYS  24           HB3      LYS  24 141.388   0.117  -5.866
  176    HG2  LYS  24           HG2      LYS  24 143.147  -0.601  -4.314
  177    HG3  LYS  24           HG3      LYS  24 142.525  -2.265  -4.332
  178    HD2  LYS  24           HD2      LYS  24 143.081  -2.503  -6.697
  179    HD3  LYS  24           HD3      LYS  24 143.414  -0.776  -6.835
  180    HE2  LYS  24           HE2      LYS  24 145.527  -1.776  -6.795
  181    HE3  LYS  24           HE3      LYS  24 145.318  -1.041  -5.206
  182    HZ1  LYS  24           HZ1      LYS  24 144.950  -3.934  -5.818
  183    HZ2  LYS  24           HZ2      LYS  24 146.272  -3.266  -5.116
  184    HZ3  LYS  24           HZ3      LYS  24 144.831  -3.267  -4.313
  185    H    GLY  25           H        GLY  25 141.535  -1.036  -1.961
  186    HA2  GLY  25           HA2      GLY  25 141.384   1.537  -0.685
  187    HA3  GLY  25           HA3      GLY  25 142.391   0.185  -0.177
  188    HA   PRO  26           HA       PRO  26 144.969   3.669  -2.171
  189    HB2  PRO  26           HB2      PRO  26 145.808   5.150  -0.034
  190    HB3  PRO  26           HB3      PRO  26 144.227   5.411  -0.831
  191    HG2  PRO  26           HG2      PRO  26 144.803   3.761   1.651
  192    HG3  PRO  26           HG3      PRO  26 143.564   5.043   1.446
  193    HD2  PRO  26           HD2      PRO  26 142.926   2.416   1.155
  194    HD3  PRO  26           HD3      PRO  26 142.220   3.656   0.083
  195    H    LYS  27           H        LYS  27 147.274   3.878  -2.153
  196    HA   LYS  27           HA       LYS  27 148.799   1.589  -1.364
  197    HB2  LYS  27           HB2      LYS  27 149.341   3.136  -3.255
  198    HB3  LYS  27           HB3      LYS  27 149.774   4.394  -2.088
  199    HG2  LYS  27           HG2      LYS  27 151.614   3.001  -1.228
  200    HG3  LYS  27           HG3      LYS  27 151.125   1.662  -2.279
  201    HD2  LYS  27           HD2      LYS  27 151.646   3.038  -4.278
  202    HD3  LYS  27           HD3      LYS  27 152.118   4.389  -3.218
  203    HE2  LYS  27           HE2      LYS  27 153.846   2.914  -2.162
  204    HE3  LYS  27           HE3      LYS  27 153.404   1.613  -3.268
  205    HZ1  LYS  27           HZ1      LYS  27 154.433   4.253  -4.179
  206    HZ2  LYS  27           HZ2      LYS  27 155.371   2.933  -3.959
  207    HZ3  LYS  27           HZ3      LYS  27 154.202   2.923  -5.113
  208    H    GLY  28           H        GLY  28 150.277   1.247   0.259
  209    HA2  GLY  28           HA2      GLY  28 149.690   2.271   2.853
  210    HA3  GLY  28           HA3      GLY  28 151.078   1.275   2.430
  211    HA   PRO  29           HA       PRO  29 152.222   5.717   3.663
  212    HB2  PRO  29           HB2      PRO  29 153.515   5.229   6.054
  213    HB3  PRO  29           HB3      PRO  29 151.763   5.550   5.892
  214    HG2  PRO  29           HG2      PRO  29 153.159   2.877   6.118
  215    HG3  PRO  29           HG3      PRO  29 151.694   3.442   6.981
  216    HD2  PRO  29           HD2      PRO  29 151.536   1.856   4.770
  217    HD3  PRO  29           HD3      PRO  29 150.340   3.149   5.075
  218    H    LYS  30           H        LYS  30 154.005   6.559   2.889
  219    HA   LYS  30           HA       LYS  30 156.483   4.918   2.487
  220    HB2  LYS  30           HB2      LYS  30 156.585   5.668   0.219
  221    HB3  LYS  30           HB3      LYS  30 154.975   5.007   0.510
  222    HG2  LYS  30           HG2      LYS  30 154.062   7.306   0.752
  223    HG3  LYS  30           HG3      LYS  30 155.678   7.969   0.432
  224    HD2  LYS  30           HD2      LYS  30 155.681   6.923  -1.813
  225    HD3  LYS  30           HD3      LYS  30 154.117   6.171  -1.473
  226    HE2  LYS  30           HE2      LYS  30 153.736   8.100  -2.859
  227    HE3  LYS  30           HE3      LYS  30 153.061   8.402  -1.257
  228    HZ1  LYS  30           HZ1      LYS  30 155.688   9.440  -2.211
  229    HZ2  LYS  30           HZ2      LYS  30 154.314  10.314  -2.128
  230    HZ3  LYS  30           HZ3      LYS  30 155.009   9.778  -0.757
  231    H    GLY  31           H        GLY  31 155.553   7.555   4.128
  232    HA2  GLY  31           HA2      GLY  31 158.126   8.764   4.414
  233    HA3  GLY  31           HA3      GLY  31 157.156   9.719   3.288
  234    HN1  NH2  32           HN1      NH2  32 157.770  11.196   5.322
  235    HN2  NH2  32           HN2      NH2  32 156.501  11.293   6.527
  236    H1   ACE  33           H1       ACE  33  84.097   3.490  -5.550
  237    H2   ACE  33           H2       ACE  33  83.405   2.507  -6.854
  238    H3   ACE  33           H3       ACE  33  83.267   4.278  -6.918
  239    H    ASP  34           H        ASP  34  81.211   2.079  -6.863
  240    HA   ASP  34           HA       ASP  34  79.195   3.284  -5.337
  241    HB2  ASP  34           HB2      ASP  34  78.779   1.810  -7.220
  242    HB3  ASP  34           HB3      ASP  34  79.407   0.426  -6.325
  243    HA   HYP  35           HA       HYP  35  79.636   0.201  -1.746
  244    HB2  HYP  35           HB2      HYP  35  81.944  -1.069  -1.134
  245    HB3  HYP  35           HB3      HYP  35  80.770  -1.699  -2.319
  246    HG   HYP  35           HG       HYP  35  83.308  -0.122  -2.869
  247   HD22  HYP  35          HD22      HYP  35  82.353   0.845  -4.721
  248   HD23  HYP  35          HD23      HYP  35  81.169  -0.468  -4.966
  249    HD1  HYP  35           HD1      HYP  35  83.398  -2.393  -3.129
  250    H    GLY  36           H        GLY  36  82.538   2.140  -2.477
  251    HA2  GLY  36           HA2      GLY  36  82.057   4.222  -0.668
  252    HA3  GLY  36           HA3      GLY  36  83.128   3.043   0.108
  253    H    ASP  37           H        ASP  37  84.046   5.634  -0.429
  254    HA   ASP  37           HA       ASP  37  85.542   5.816  -2.832
  255    HB2  ASP  37           HB2      ASP  37  85.710   7.169  -0.123
  256    HB3  ASP  37           HB3      ASP  37  86.819   7.523  -1.423
  257    HA   HYP  38           HA       HYP  38  89.009   3.090  -2.007
  258    HB2  HYP  38           HB2      HYP  38  90.669   5.141  -3.442
  259    HB3  HYP  38           HB3      HYP  38  90.581   3.381  -3.718
  260    HG   HYP  38           HG       HYP  38  89.348   5.195  -5.357
  261   HD22  HYP  38          HD22      HYP  38  88.012   6.365  -3.825
  262   HD23  HYP  38          HD23      HYP  38  86.870   5.050  -4.230
  263    HD1  HYP  38           HD1      HYP  38  87.882   3.544  -5.867
  264    H    GLY  39           H        GLY  39  90.693   2.819  -0.593
  265    HA2  GLY  39           HA2      GLY  39  91.435   4.940   1.279
  266    HA3  GLY  39           HA3      GLY  39  92.036   3.287   1.242
  267    H    ASP  40           H        ASP  40  93.709   5.395   1.809
  268    HA   ASP  40           HA       ASP  40  95.048   6.453  -0.485
  269    HB2  ASP  40           HB2      ASP  40  95.605   6.474   2.505
  270    HB3  ASP  40           HB3      ASP  40  96.572   7.351   1.329
  271    HA   HYP  41           HA       HYP  41  98.382   3.533  -1.237
  272    HB2  HYP  41           HB2      HYP  41 100.191   5.931  -1.297
  273    HB3  HYP  41           HB3      HYP  41 100.030   4.622  -2.495
  274    HG   HYP  41           HG       HYP  41  98.955   7.129  -2.851
  275   HD22  HYP  41          HD22      HYP  41  97.562   7.330  -1.007
  276   HD23  HYP  41          HD23      HYP  41  96.418   6.471  -2.078
  277    HD1  HYP  41           HD1      HYP  41  98.651   5.591  -4.437
  278    H    GLY  42           H        GLY  42 100.071   2.471  -0.180
  279    HA2  GLY  42           HA2      GLY  42 100.671   3.136   2.599
  280    HA3  GLY  42           HA3      GLY  42 101.322   1.799   1.664
  281    H    ASP  43           H        ASP  43 102.928   3.139   3.446
  282    HA   ASP  43           HA       ASP  43 104.476   5.253   2.300
  283    HB2  ASP  43           HB2      ASP  43 104.775   3.387   4.669
  284    HB3  ASP  43           HB3      ASP  43 106.061   4.494   4.223
  285    HA   HYP  44           HA       HYP  44 107.484   3.056  -0.226
  286    HB2  HYP  44           HB2      HYP  44 109.523   4.902   0.984
  287    HB3  HYP  44           HB3      HYP  44 109.220   4.537  -0.736
  288    HG   HYP  44           HG       HYP  44 108.402   6.870   0.427
  289   HD22  HYP  44          HD22      HYP  44 107.153   6.032   2.232
  290   HD23  HYP  44          HD23      HYP  44 105.853   6.135   1.009
  291    HD1  HYP  44           HD1      HYP  44 106.753   6.937  -1.122
  292    H    GLY  45           H        GLY  45 109.098   1.478  -0.067
  293    HA2  GLY  45           HA2      GLY  45 109.728   0.329   2.531
  294    HA3  GLY  45           HA3      GLY  45 110.339  -0.185   0.965
  295    H    ASP  46           H        ASP  46 111.958  -0.197   3.221
  296    HA   ASP  46           HA       ASP  46 113.591   2.173   3.433
  297    HB2  ASP  46           HB2      ASP  46 113.747  -0.681   4.467
  298    HB3  ASP  46           HB3      ASP  46 115.045   0.469   4.730
  299    HA   HYP  47           HA       HYP  47 116.626   1.489   0.222
  300    HB2  HYP  47           HB2      HYP  47 118.733   1.979   2.305
  301    HB3  HYP  47           HB3      HYP  47 118.548   2.732   0.699
  302    HG   HYP  47           HG       HYP  47 117.860   4.023   3.019
  303   HD22  HYP  47          HD22      HYP  47 116.357   2.497   3.955
  304   HD23  HYP  47          HD23      HYP  47 115.205   3.446   2.973
  305    HD1  HYP  47           HD1      HYP  47 117.501   5.001   1.020
  306    H    GLY  48           H        GLY  48 118.104  -0.023  -0.583
  307    HA2  GLY  48           HA2      GLY  48 118.423  -2.590   0.705
  308    HA3  GLY  48           HA3      GLY  48 119.288  -2.005  -0.716
  309    H    ASP  49           H        ASP  49 120.542  -3.612   1.192
  310    HA   ASP  49           HA       ASP  49 122.050  -2.007   3.074
  311    HB2  ASP  49           HB2      ASP  49 122.200  -4.886   2.097
  312    HB3  ASP  49           HB3      ASP  49 123.232  -4.223   3.347
  313    HA   HYP  50           HA       HYP  50 125.492  -0.748   0.609
  314    HB2  HYP  50           HB2      HYP  50 127.339  -1.973   2.630
  315    HB3  HYP  50           HB3      HYP  50 127.353  -0.325   1.947
  316    HG   HYP  50           HG       HYP  50 126.399  -0.898   4.466
  317   HD22  HYP  50          HD22      HYP  50 124.715  -2.434   4.012
  318   HD23  HYP  50          HD23      HYP  50 123.753  -0.949   3.770
  319    HD1  HYP  50           HD1      HYP  50 126.365   1.208   3.657
  320    H    GLY  51           H        GLY  51 126.995  -1.468  -0.903
  321    HA2  GLY  51           HA2      GLY  51 127.130  -4.211  -1.728
  322    HA3  GLY  51           HA3      GLY  51 128.202  -2.922  -2.233
  323    H    ASP  52           H        ASP  52 129.298  -5.365  -2.072
  324    HA   ASP  52           HA       ASP  52 130.458  -5.975   0.476
  325    HB2  ASP  52           HB2      ASP  52 131.102  -6.785  -2.386
  326    HB3  ASP  52           HB3      ASP  52 131.864  -7.470  -0.960
  327    HA   HYP  53           HA       HYP  53 133.853  -3.106   0.616
  328    HB2  HYP  53           HB2      HYP  53 135.609  -5.395   1.440
  329    HB3  HYP  53           HB3      HYP  53 135.384  -3.808   2.226
  330    HG   HYP  53           HG       HYP  53 134.242  -6.103   3.191
  331   HD22  HYP  53          HD22      HYP  53 133.034  -6.827   1.319
  332   HD23  HYP  53          HD23      HYP  53 131.790  -5.774   2.051
  333    HD1  HYP  53           HD1      HYP  53 132.617  -4.776   4.076
  334    H    GLY  54           H        GLY  54 135.592  -2.367  -0.593
  335    HA2  GLY  54           HA2      GLY  54 136.293  -3.704  -3.080
  336    HA3  GLY  54           HA3      GLY  54 136.990  -2.224  -2.446
  337    H    ASP  55           H        ASP  55 138.647  -3.900  -3.745
  338    HA   ASP  55           HA       ASP  55 139.928  -5.868  -2.110
  339    HB2  ASP  55           HB2      ASP  55 140.546  -4.488  -4.734
  340    HB3  ASP  55           HB3      ASP  55 141.736  -5.530  -3.974
  341    HA   HYP  56           HA       HYP  56 142.866  -3.567   0.346
  342    HB2  HYP  56           HB2      HYP  56 144.954  -5.501  -0.614
  343    HB3  HYP  56           HB3      HYP  56 144.556  -5.016   1.056
  344    HG   HYP  56           HG       HYP  56 143.777  -7.421  -0.020
  345   HD22  HYP  56          HD22      HYP  56 142.578  -6.729  -1.895
  346   HD23  HYP  56          HD23      HYP  56 141.251  -6.669  -0.701
  347    HD1  HYP  56           HD1      HYP  56 143.166  -6.880   2.072
  348    H    GLY  57           H        GLY  57 144.413  -1.959   0.175
  349    HA2  GLY  57           HA2      GLY  57 145.451  -1.153  -2.455
  350    HA3  GLY  57           HA3      GLY  57 145.764  -0.373  -0.919
  351    H    ASP  58           H        ASP  58 147.727  -0.815  -2.853
  352    HA   ASP  58           HA       ASP  58 149.304  -3.152  -2.123
  353    HB2  ASP  58           HB2      ASP  58 149.449  -1.005  -4.230
  354    HB3  ASP  58           HB3      ASP  58 150.858  -1.990  -3.896
  355    HA   HYP  59           HA       HYP  59 151.974  -1.796   0.899
  356    HB2  HYP  59           HB2      HYP  59 154.426  -2.486  -0.693
  357    HB3  HYP  59           HB3      HYP  59 153.945  -3.042   0.934
  358    HG   HYP  59           HG       HYP  59 153.703  -4.619  -1.284
  359   HD22  HYP  59          HD22      HYP  59 152.420  -3.223  -2.656
  360   HD23  HYP  59          HD23      HYP  59 151.105  -4.108  -1.841
  361    HD1  HYP  59           HD1      HYP  59 152.007  -5.677  -0.221
  362    H    GLY  60           H        GLY  60 153.426  -0.350   1.749
  363    HA2  GLY  60           HA2      GLY  60 153.558   2.262   0.698
  364    HA3  GLY  60           HA3      GLY  60 154.480   1.554   2.076
  365    H    ASP  61           H        ASP  61 155.260   0.268  -0.290
  366    HA   ASP  61           HA       ASP  61 158.059   0.623  -0.519
  367    HB2  ASP  61           HB2      ASP  61 156.404  -1.042  -2.042
  368    HB3  ASP  61           HB3      ASP  61 156.389   0.329  -3.094
  369    HA   HYP  62           HA       HYP  62 158.532   4.944  -1.758
  370    HB2  HYP  62           HB2      HYP  62 161.313   3.889  -2.302
  371    HB3  HYP  62           HB3      HYP  62 160.834   5.440  -1.550
  372    HG   HYP  62           HG       HYP  62 161.632   3.330  -0.035
  373   HD22  HYP  62          HD22      HYP  62 160.273   1.623  -0.887
  374   HD23  HYP  62          HD23      HYP  62 159.192   2.208   0.411
  375    HD1  HYP  62           HD1      HYP  62 160.720   5.248   0.874
  376    H    GLY  63           H        GLY  63 158.888   2.247  -3.895
  377    HA2  GLY  63           HA2      GLY  63 158.768   4.008  -6.313
  378    HA3  GLY  63           HA3      GLY  63 159.923   2.678  -6.218
  379    HN1  NH2  64           HN1      NH2  64 159.038   1.396  -7.875
  380    HN2  NH2  64           HN2      NH2  64 157.432   0.699  -7.784
  381    H1   ACE  65           H1       ACE  65  86.259  -2.043   9.177
  382    H2   ACE  65           H2       ACE  65  87.310  -2.640   7.869
  383    H3   ACE  65           H3       ACE  65  85.987  -3.655   8.478
  384    HA   PRO  66           HA       PRO  66  83.926   0.175   6.176
  385    HB2  PRO  66           HB2      PRO  66  86.314   0.893   4.476
  386    HB3  PRO  66           HB3      PRO  66  85.002   1.954   5.072
  387    HG2  PRO  66           HG2      PRO  66  87.414   1.941   6.311
  388    HG3  PRO  66           HG3      PRO  66  85.905   1.953   7.282
  389    HD2  PRO  66           HD2      PRO  66  87.701  -0.388   6.619
  390    HD3  PRO  66           HD3      PRO  66  86.925   0.042   8.173
  391    HA   HYP  67           HA       HYP  67  83.373  -2.422   2.513
  392    HB2  HYP  67           HB2      HYP  67  81.280  -1.151   1.280
  393    HB3  HYP  67           HB3      HYP  67  81.137  -2.149   2.750
  394    HG   HYP  67           HG       HYP  67  81.113   0.844   2.495
  395   HD22  HYP  67          HD22      HYP  67  82.692   1.221   4.093
  396   HD23  HYP  67          HD23      HYP  67  82.021  -0.055   5.146
  397    HD1  HYP  67           HD1      HYP  67  79.290  -0.566   3.271
  398    H    GLY  68           H        GLY  68  84.123   1.063   2.152
  399    HA2  GLY  68           HA2      GLY  68  84.806   1.023  -0.631
  400    HA3  GLY  68           HA3      GLY  68  85.474   2.113   0.586
  401    HA   PRO  69           HA       PRO  69  88.160  -1.682  -0.600
  402    HB2  PRO  69           HB2      PRO  69  89.660  -1.009  -2.796
  403    HB3  PRO  69           HB3      PRO  69  88.011  -1.698  -2.871
  404    HG2  PRO  69           HG2      PRO  69  88.830   1.203  -3.068
  405    HG3  PRO  69           HG3      PRO  69  87.683   0.306  -4.107
  406    HD2  PRO  69           HD2      PRO  69  86.841   1.882  -2.029
  407    HD3  PRO  69           HD3      PRO  69  85.991   0.372  -2.478
  408    HA   HYP  70           HA       HYP  70  91.776   0.012   1.617
  409    HB2  HYP  70           HB2      HYP  70  93.154  -2.390   0.461
  410    HB3  HYP  70           HB3      HYP  70  93.156  -1.798   2.143
  411    HG   HYP  70           HG       HYP  70  91.668  -3.951   1.314
  412   HD22  HYP  70          HD22      HYP  70  90.334  -3.018  -0.354
  413   HD23  HYP  70          HD23      HYP  70  89.308  -2.583   1.046
  414    HD1  HYP  70           HD1      HYP  70  90.316  -3.522   3.068
  415    H    GLY  71           H        GLY  71  93.720   1.076   1.133
  416    HA2  GLY  71           HA2      GLY  71  94.137   1.918  -1.599
  417    HA3  GLY  71           HA3      GLY  71  95.137   2.328  -0.215
  418    HA   PRO  72           HA       PRO  72  97.214  -0.833  -3.100
  419    HB2  PRO  72           HB2      PRO  72  98.893   0.744  -4.596
  420    HB3  PRO  72           HB3      PRO  72  97.178   0.459  -5.021
  421    HG2  PRO  72           HG2      PRO  72  98.364   2.800  -3.507
  422    HG3  PRO  72           HG3      PRO  72  97.253   2.849  -4.915
  423    HD2  PRO  72           HD2      PRO  72  96.333   3.086  -2.362
  424    HD3  PRO  72           HD3      PRO  72  95.409   2.187  -3.600
  425    HA   HYP  73           HA       HYP  73 100.813  -1.063  -0.477
  426    HB2  HYP  73           HB2      HYP  73 102.730  -2.110  -2.312
  427    HB3  HYP  73           HB3      HYP  73 101.661  -3.016  -1.223
  428    HG   HYP  73           HG       HYP  73 101.472  -2.636  -4.144
  429   HD22  HYP  73          HD22      HYP  73  99.577  -1.453  -4.296
  430   HD23  HYP  73          HD23      HYP  73  98.742  -2.516  -3.133
  431    HD1  HYP  73           HD1      HYP  73 101.358  -4.688  -3.215
  432    H    GLY  74           H        GLY  74 102.729   0.046   0.047
  433    HA2  GLY  74           HA2      GLY  74 103.520   2.374  -1.506
  434    HA3  GLY  74           HA3      GLY  74 104.353   1.712  -0.105
  435    HA   PRO  75           HA       PRO  75 106.348   0.501  -4.273
  436    HB2  PRO  75           HB2      PRO  75 108.238   2.441  -4.746
  437    HB3  PRO  75           HB3      PRO  75 106.528   2.575  -5.257
  438    HG2  PRO  75           HG2      PRO  75 107.814   3.703  -2.749
  439    HG3  PRO  75           HG3      PRO  75 106.777   4.558  -3.938
  440    HD2  PRO  75           HD2      PRO  75 105.745   3.548  -1.634
  441    HD3  PRO  75           HD3      PRO  75 104.831   3.461  -3.168
  442    HA   HYP  76           HA       HYP  76 110.027  -1.376  -2.372
  443    HB2  HYP  76           HB2      HYP  76 111.406  -0.760  -4.969
  444    HB3  HYP  76           HB3      HYP  76 111.353  -2.297  -4.069
  445    HG   HYP  76           HG       HYP  76 109.857  -1.829  -6.328
  446   HD22  HYP  76          HD22      HYP  76 108.637   0.053  -5.715
  447   HD23  HYP  76          HD23      HYP  76 107.541  -1.184  -5.033
  448    HD1  HYP  76           HD1      HYP  76 109.708  -3.790  -5.219
  449    H    GLY  77           H        GLY  77 111.898  -0.692  -1.319
  450    HA2  GLY  77           HA2      GLY  77 112.719   2.104  -1.386
  451    HA3  GLY  77           HA3      GLY  77 113.548   0.789  -0.565
  452    HA   PRO  78           HA       PRO  78 115.656   2.055  -4.645
  453    HB2  PRO  78           HB2      PRO  78 117.705   3.682  -3.806
  454    HB3  PRO  78           HB3      PRO  78 116.050   4.276  -4.138
  455    HG2  PRO  78           HG2      PRO  78 117.242   3.487  -1.458
  456    HG3  PRO  78           HG3      PRO  78 116.366   4.997  -1.874
  457    HD2  PRO  78           HD2      PRO  78 115.093   2.905  -0.690
  458    HD3  PRO  78           HD3      PRO  78 114.285   3.875  -1.957
  459    HA   HYP  79           HA       HYP  79 119.048  -0.927  -4.241
  460    HB2  HYP  79           HB2      HYP  79 120.676   1.041  -5.820
  461    HB3  HYP  79           HB3      HYP  79 120.478  -0.713  -6.079
  462    HG   HYP  79           HG       HYP  79 119.187   1.174  -7.606
  463   HD22  HYP  79          HD22      HYP  79 118.025   2.381  -5.988
  464   HD23  HYP  79          HD23      HYP  79 116.809   1.101  -6.258
  465    HD1  HYP  79           HD1      HYP  79 118.863  -1.046  -7.930
  466    H    GLY  80           H        GLY  80 120.759  -1.236  -2.857
  467    HA2  GLY  80           HA2      GLY  80 121.250   0.657  -0.824
  468    HA3  GLY  80           HA3      GLY  80 122.182  -0.816  -1.083
  469    HA   PRO  81           HA       PRO  81 124.671   3.078  -2.125
  470    HB2  PRO  81           HB2      PRO  81 126.238   2.924   0.302
  471    HB3  PRO  81           HB3      PRO  81 125.209   4.258  -0.283
  472    HG2  PRO  81           HG2      PRO  81 124.650   2.548   1.922
  473    HG3  PRO  81           HG3      PRO  81 123.512   3.636   1.100
  474    HD2  PRO  81           HD2      PRO  81 123.773   0.692   0.822
  475    HD3  PRO  81           HD3      PRO  81 122.362   1.757   0.582
  476    HA   HYP  82           HA       HYP  82 128.191   0.627  -3.548
  477    HB2  HYP  82           HB2      HYP  82 129.901   2.946  -2.715
  478    HB3  HYP  82           HB3      HYP  82 129.890   2.058  -4.263
  479    HG   HYP  82           HG       HYP  82 128.750   4.535  -3.970
  480   HD22  HYP  82          HD22      HYP  82 127.232   4.150  -2.231
  481   HD23  HYP  82          HD23      HYP  82 126.187   3.677  -3.602
  482    HD1  HYP  82           HD1      HYP  82 127.397   3.968  -5.696
  483    H    GLY  83           H        GLY  83 129.668  -0.774  -2.629
  484    HA2  GLY  83           HA2      GLY  83 129.708  -1.110   0.197
  485    HA3  GLY  83           HA3      GLY  83 130.789  -1.920  -0.945
  486    HA   PRO  84           HA       PRO  84 132.864   1.438   1.640
  487    HB2  PRO  84           HB2      PRO  84 134.313  -0.492   3.257
  488    HB3  PRO  84           HB3      PRO  84 133.277   0.865   3.778
  489    HG2  PRO  84           HG2      PRO  84 132.605  -1.876   3.943
  490    HG3  PRO  84           HG3      PRO  84 131.457  -0.521   3.946
  491    HD2  PRO  84           HD2      PRO  84 132.089  -2.363   1.703
  492    HD3  PRO  84           HD3      PRO  84 130.590  -1.480   2.090
  493    HA   HYP  85           HA       HYP  85 136.660   1.153  -0.821
  494    HB2  HYP  85           HB2      HYP  85 137.900   2.595   1.504
  495    HB3  HYP  85           HB3      HYP  85 138.014   2.971  -0.235
  496    HG   HYP  85           HG       HYP  85 136.408   4.382   1.497
  497   HD22  HYP  85          HD22      HYP  85 135.040   2.705   2.356
  498   HD23  HYP  85          HD23      HYP  85 134.098   3.094   0.883
  499    HD1  HYP  85           HD1      HYP  85 136.419   4.938  -0.667
  500    H    GLY  86           H        GLY  86 138.372  -0.306  -0.865
  501    HA2  GLY  86           HA2      GLY  86 138.563  -2.337   1.135
  502    HA3  GLY  86           HA3      GLY  86 139.719  -2.076  -0.167
  503    HA   PRO  87           HA       PRO  87 141.357  -0.867   4.121
  504    HB2  PRO  87           HB2      PRO  87 143.259  -3.029   4.215
  505    HB3  PRO  87           HB3      PRO  87 141.906  -2.669   5.316
  506    HG2  PRO  87           HG2      PRO  87 142.072  -4.779   3.357
  507    HG3  PRO  87           HG3      PRO  87 140.688  -4.347   4.392
  508    HD2  PRO  87           HD2      PRO  87 141.037  -3.839   1.537
  509    HD3  PRO  87           HD3      PRO  87 139.586  -3.653   2.555
  510    HA   HYP  88           HA       HYP  88 144.890   1.169   2.070
  511    HB2  HYP  88           HB2      HYP  88 145.976   1.281   4.866
  512    HB3  HYP  88           HB3      HYP  88 145.862   2.586   3.657
  513    HG   HYP  88           HG       HYP  88 144.152   2.375   5.793
  514   HD22  HYP  88          HD22      HYP  88 143.234   0.254   5.473
  515   HD23  HYP  88          HD23      HYP  88 142.113   1.176   4.425
  516    HD1  HYP  88           HD1      HYP  88 142.653   3.525   4.540
  517    H    GLY  89           H        GLY  89 146.965   0.563   1.419
  518    HA2  GLY  89           HA2      GLY  89 147.820  -2.135   1.847
  519    HA3  GLY  89           HA3      GLY  89 148.777  -0.859   1.100
  520    HA   PRO  90           HA       PRO  90 150.293  -1.927   5.492
  521    HB2  PRO  90           HB2      PRO  90 152.316  -3.721   5.029
  522    HB3  PRO  90           HB3      PRO  90 150.604  -4.203   5.231
  523    HG2  PRO  90           HG2      PRO  90 152.118  -3.734   2.651
  524    HG3  PRO  90           HG3      PRO  90 151.110  -5.152   3.093
  525    HD2  PRO  90           HD2      PRO  90 150.124  -3.106   1.587
  526    HD3  PRO  90           HD3      PRO  90 149.108  -3.930   2.807
  527    HA   HYP  91           HA       HYP  91 153.816   0.899   5.144
  528    HB2  HYP  91           HB2      HYP  91 155.310  -1.011   6.912
  529    HB3  HYP  91           HB3      HYP  91 155.129   0.756   7.074
  530    HG   HYP  91           HG       HYP  91 153.717  -1.027   8.616
  531   HD22  HYP  91          HD22      HYP  91 152.626  -2.304   6.996
  532   HD23  HYP  91          HD23      HYP  91 151.426  -0.990   7.130
  533    HD1  HYP  91           HD1      HYP  91 153.393   1.206   8.808
  534    H    GLY  92           H        GLY  92 156.043   1.042   4.309
  535    HA2  GLY  92           HA2      GLY  92 156.416  -0.605   2.038
  536    HA3  GLY  92           HA3      GLY  92 157.611   0.522   2.675
  537    HA   PRO  93           HA       PRO  93 158.471  -4.246   3.402
  538    HB2  PRO  93           HB2      PRO  93 160.413  -3.743   1.130
  539    HB3  PRO  93           HB3      PRO  93 159.620  -5.279   1.605
  540    HG2  PRO  93           HG2      PRO  93 158.618  -3.838  -0.443
  541    HG3  PRO  93           HG3      PRO  93 157.503  -4.519   0.786
  542    HD2  PRO  93           HD2      PRO  93 158.534  -1.686   0.551
  543    HD3  PRO  93           HD3      PRO  93 156.885  -2.282   0.920
  544    HA   HYP  94           HA       HYP  94 161.982  -2.966   5.871
  545    HB2  HYP  94           HB2      HYP  94 162.865  -5.335   6.892
  546    HB3  HYP  94           HB3      HYP  94 161.301  -4.594   7.338
  547    HG   HYP  94           HG       HYP  94 161.822  -6.802   5.318
  548   HD22  HYP  94          HD22      HYP  94 160.118  -6.044   3.951
  549   HD23  HYP  94          HD23      HYP  94 159.220  -5.299   5.305
  550    HD1  HYP  94           HD1      HYP  94 161.015  -7.358   7.410
  551    H    GLY  95           H        GLY  95 162.409  -4.856   3.025
  552    HA2  GLY  95           HA2      GLY  95 164.950  -3.691   2.428
  553    HA3  GLY  95           HA3      GLY  95 165.160  -5.390   2.866
  554    HN1  NH2  96           HN1      NH2  96 165.937  -4.844   0.374
  555    HN2  NH2  96           HN2      NH2  96 164.749  -5.358  -0.809
  Start of MODEL   13
    1    H1   ACE   1           H1       ACE   1  72.160   3.453  -1.743
    2    H2   ACE   1           H2       ACE   1  72.427   2.729  -0.141
    3    H3   ACE   1           H3       ACE   1  71.779   4.376  -0.268
    4    HA   PRO   2           HA       PRO   2  76.186   5.342  -1.661
    5    HB2  PRO   2           HB2      PRO   2  75.925   7.988  -2.279
    6    HB3  PRO   2           HB3      PRO   2  75.499   6.677  -3.415
    7    HG2  PRO   2           HG2      PRO   2  73.640   8.217  -1.576
    8    HG3  PRO   2           HG3      PRO   2  73.451   7.906  -3.333
    9    HD2  PRO   2           HD2      PRO   2  72.235   6.360  -1.440
   10    HD3  PRO   2           HD3      PRO   2  72.850   5.658  -2.966
   11    H    LYS   3           H        LYS   3  77.571   7.255  -0.805
   12    HA   LYS   3           HA       LYS   3  78.709   8.082   0.972
   13    HB2  LYS   3           HB2      LYS   3  76.003   8.795   2.158
   14    HB3  LYS   3           HB3      LYS   3  77.568   9.495   2.570
   15    HG2  LYS   3           HG2      LYS   3  77.784  10.363   0.238
   16    HG3  LYS   3           HG3      LYS   3  76.154   9.750  -0.116
   17    HD2  LYS   3           HD2      LYS   3  75.262  11.138   1.772
   18    HD3  LYS   3           HD3      LYS   3  76.866  11.844   1.993
   19    HE2  LYS   3           HE2      LYS   3  75.200  11.987  -0.569
   20    HE3  LYS   3           HE3      LYS   3  75.260  13.249   0.663
   21    HZ1  LYS   3           HZ1      LYS   3  77.590  12.344  -0.948
   22    HZ2  LYS   3           HZ2      LYS   3  76.787  13.751  -1.130
   23    HZ3  LYS   3           HZ3      LYS   3  77.650  13.485   0.228
   24    H    GLY   4           H        GLY   4  77.879   5.246   1.055
   25    HA2  GLY   4           HA2      GLY   4  77.952   4.436   3.872
   26    HA3  GLY   4           HA3      GLY   4  78.095   3.421   2.439
   27    HA   PRO   5           HA       PRO   5  82.092   3.857   4.790
   28    HB2  PRO   5           HB2      PRO   5  82.830   1.195   4.323
   29    HB3  PRO   5           HB3      PRO   5  82.312   1.930   5.845
   30    HG2  PRO   5           HG2      PRO   5  80.816   0.081   4.214
   31    HG3  PRO   5           HG3      PRO   5  80.307   0.881   5.723
   32    HD2  PRO   5           HD2      PRO   5  79.459   1.477   3.008
   33    HD3  PRO   5           HD3      PRO   5  78.872   2.171   4.542
   34    H    LYS   6           H        LYS   6  83.927   4.523   4.069
   35    HA   LYS   6           HA       LYS   6  84.804   4.554   1.327
   36    HB2  LYS   6           HB2      LYS   6  85.315   6.321   3.021
   37    HB3  LYS   6           HB3      LYS   6  86.176   5.133   3.994
   38    HG2  LYS   6           HG2      LYS   6  87.909   4.910   2.265
   39    HG3  LYS   6           HG3      LYS   6  87.046   6.061   1.225
   40    HD2  LYS   6           HD2      LYS   6  87.391   7.860   2.842
   41    HD3  LYS   6           HD3      LYS   6  87.947   6.713   4.062
   42    HE2  LYS   6           HE2      LYS   6  89.898   7.763   3.316
   43    HE3  LYS   6           HE3      LYS   6  89.917   6.148   2.605
   44    HZ1  LYS   6           HZ1      LYS   6  89.143   8.653   1.189
   45    HZ2  LYS   6           HZ2      LYS   6  90.564   7.847   1.020
   46    HZ3  LYS   6           HZ3      LYS   6  89.163   7.156   0.495
   47    H    GLY   7           H        GLY   7  86.350   3.404   0.258
   48    HA2  GLY   7           HA2      GLY   7  86.782   0.685   0.943
   49    HA3  GLY   7           HA3      GLY   7  87.610   1.563  -0.338
   50    HA   PRO   8           HA       PRO   8  90.347   0.659   3.486
   51    HB2  PRO   8           HB2      PRO   8  91.671  -1.652   2.782
   52    HB3  PRO   8           HB3      PRO   8  90.104  -1.618   3.646
   53    HG2  PRO   8           HG2      PRO   8  90.578  -1.924   0.667
   54    HG3  PRO   8           HG3      PRO   8  89.549  -2.943   1.729
   55    HD2  PRO   8           HD2      PRO   8  88.450  -0.959   0.255
   56    HD3  PRO   8           HD3      PRO   8  87.917  -1.228   1.936
   57    H    LYS   9           H        LYS   9  92.441   1.252   3.677
   58    HA   LYS   9           HA       LYS   9  93.934   2.381   1.453
   59    HB2  LYS   9           HB2      LYS   9  93.904   3.217   3.840
   60    HB3  LYS   9           HB3      LYS   9  94.806   1.773   4.318
   61    HG2  LYS   9           HG2      LYS   9  96.686   2.466   2.856
   62    HG3  LYS   9           HG3      LYS   9  95.757   3.882   2.327
   63    HD2  LYS   9           HD2      LYS   9  95.691   4.689   4.693
   64    HD3  LYS   9           HD3      LYS   9  96.677   3.291   5.178
   65    HE2  LYS   9           HE2      LYS   9  98.497   4.042   3.670
   66    HE3  LYS   9           HE3      LYS   9  97.510   5.412   3.143
   67    HZ1  LYS   9           HZ1      LYS   9  98.467   4.977   5.930
   68    HZ2  LYS   9           HZ2      LYS   9  99.085   6.062   4.881
   69    HZ3  LYS   9           HZ3      LYS   9  97.559   6.248   5.439
   70    H    GLY  10           H        GLY  10  95.770   1.563   0.432
   71    HA2  GLY  10           HA2      GLY  10  96.068  -1.304   0.275
   72    HA3  GLY  10           HA3      GLY  10  97.111  -0.118  -0.491
   73    HA   PRO  11           HA       PRO  11  99.247  -2.135   3.276
   74    HB2  PRO  11           HB2      PRO  11 100.700  -4.173   2.154
   75    HB3  PRO  11           HB3      PRO  11  99.010  -4.363   2.709
   76    HG2  PRO  11           HG2      PRO  11  99.989  -3.779  -0.103
   77    HG3  PRO  11           HG3      PRO  11  98.841  -5.054   0.420
   78    HD2  PRO  11           HD2      PRO  11  97.934  -2.697  -0.562
   79    HD3  PRO  11           HD3      PRO  11  97.127  -3.470   0.829
   80    H    LYS  12           H        LYS  12 101.484  -2.039   3.789
   81    HA   LYS  12           HA       LYS  12 103.084  -0.037   2.535
   82    HB2  LYS  12           HB2      LYS  12 103.235  -0.714   4.939
   83    HB3  LYS  12           HB3      LYS  12 103.831  -2.303   4.455
   84    HG2  LYS  12           HG2      LYS  12 105.876  -1.349   3.564
   85    HG3  LYS  12           HG3      LYS  12 105.274   0.303   3.804
   86    HD2  LYS  12           HD2      LYS  12 105.257  -0.053   6.253
   87    HD3  LYS  12           HD3      LYS  12 105.785  -1.737   6.021
   88    HE2  LYS  12           HE2      LYS  12 107.848  -0.906   4.880
   89    HE3  LYS  12           HE3      LYS  12 107.339   0.761   5.189
   90    HZ1  LYS  12           HZ1      LYS  12 107.885  -1.255   7.311
   91    HZ2  LYS  12           HZ2      LYS  12 108.933  -0.094   6.836
   92    HZ3  LYS  12           HZ3      LYS  12 107.515   0.323   7.566
   93    H    GLY  13           H        GLY  13 104.726  -0.108   1.063
   94    HA2  GLY  13           HA2      GLY  13 104.884  -2.296  -0.801
   95    HA3  GLY  13           HA3      GLY  13 105.882  -0.847  -0.794
   96    HA   PRO  14           HA       PRO  14 108.229  -4.702   0.707
   97    HB2  PRO  14           HB2      PRO  14 109.593  -5.518  -1.518
   98    HB3  PRO  14           HB3      PRO  14 107.904  -6.005  -1.177
   99    HG2  PRO  14           HG2      PRO  14 108.864  -3.738  -2.945
  100    HG3  PRO  14           HG3      PRO  14 107.680  -5.022  -3.351
  101    HD2  PRO  14           HD2      PRO  14 106.869  -2.562  -2.505
  102    HD3  PRO  14           HD3      PRO  14 106.012  -4.044  -1.993
  103    H    LYS  15           H        LYS  15 110.400  -4.794   1.298
  104    HA   LYS  15           HA       LYS  15 111.955  -2.406   1.442
  105    HB2  LYS  15           HB2      LYS  15 112.079  -4.338   3.023
  106    HB3  LYS  15           HB3      LYS  15 112.770  -5.335   1.737
  107    HG2  LYS  15           HG2      LYS  15 114.754  -3.870   1.638
  108    HG3  LYS  15           HG3      LYS  15 114.057  -2.816   2.887
  109    HD2  LYS  15           HD2      LYS  15 114.193  -4.592   4.545
  110    HD3  LYS  15           HD3      LYS  15 114.552  -5.793   3.300
  111    HE2  LYS  15           HE2      LYS  15 116.594  -5.332   4.427
  112    HE3  LYS  15           HE3      LYS  15 116.704  -4.675   2.796
  113    HZ1  LYS  15           HZ1      LYS  15 116.130  -3.078   5.243
  114    HZ2  LYS  15           HZ2      LYS  15 117.581  -3.187   4.489
  115    HZ3  LYS  15           HZ3      LYS  15 116.317  -2.445   3.728
  116    H    GLY  16           H        GLY  16 113.624  -1.599   0.257
  117    HA2  GLY  16           HA2      GLY  16 113.854  -2.267  -2.527
  118    HA3  GLY  16           HA3      GLY  16 114.875  -1.135  -1.647
  119    HA   PRO  17           HA       PRO  17 117.196  -5.184  -2.577
  120    HB2  PRO  17           HB2      PRO  17 118.431  -4.738  -4.965
  121    HB3  PRO  17           HB3      PRO  17 116.740  -5.318  -4.846
  122    HG2  PRO  17           HG2      PRO  17 117.704  -2.468  -5.230
  123    HG3  PRO  17           HG3      PRO  17 116.467  -3.350  -6.185
  124    HD2  PRO  17           HD2      PRO  17 115.779  -1.675  -4.140
  125    HD3  PRO  17           HD3      PRO  17 114.877  -3.185  -4.455
  126    H    LYS  18           H        LYS  18 119.392  -5.534  -2.222
  127    HA   LYS  18           HA       LYS  18 120.912  -3.547  -0.846
  128    HB2  LYS  18           HB2      LYS  18 120.996  -6.021  -0.501
  129    HB3  LYS  18           HB3      LYS  18 121.763  -6.202  -2.084
  130    HG2  LYS  18           HG2      LYS  18 123.722  -4.931  -1.301
  131    HG3  LYS  18           HG3      LYS  18 122.948  -4.666   0.275
  132    HD2  LYS  18           HD2      LYS  18 123.014  -7.031   0.782
  133    HD3  LYS  18           HD3      LYS  18 123.504  -7.430  -0.882
  134    HE2  LYS  18           HE2      LYS  18 125.602  -6.160  -0.584
  135    HE3  LYS  18           HE3      LYS  18 125.157  -5.779   1.087
  136    HZ1  LYS  18           HZ1      LYS  18 125.315  -8.108   1.634
  137    HZ2  LYS  18           HZ2      LYS  18 125.487  -8.554   0.065
  138    HZ3  LYS  18           HZ3      LYS  18 126.683  -7.722   0.795
  139    H    GLY  19           H        GLY  19 122.785  -2.437  -1.334
  140    HA2  GLY  19           HA2      GLY  19 123.077  -1.458  -4.047
  141    HA3  GLY  19           HA3      GLY  19 124.072  -1.026  -2.664
  142    HA   PRO  20           HA       PRO  20 126.367  -3.965  -5.622
  143    HB2  PRO  20           HB2      PRO  20 127.818  -2.274  -7.202
  144    HB3  PRO  20           HB3      PRO  20 126.116  -2.708  -7.551
  145    HG2  PRO  20           HG2      PRO  20 127.144  -0.240  -6.108
  146    HG3  PRO  20           HG3      PRO  20 125.988  -0.315  -7.479
  147    HD2  PRO  20           HD2      PRO  20 125.114  -0.129  -4.907
  148    HD3  PRO  20           HD3      PRO  20 124.259  -1.141  -6.103
  149    H    LYS  21           H        LYS  21 128.485  -4.660  -5.359
  150    HA   LYS  21           HA       LYS  21 130.029  -3.751  -3.099
  151    HB2  LYS  21           HB2      LYS  21 129.959  -6.127  -3.891
  152    HB3  LYS  21           HB3      LYS  21 130.676  -5.639  -5.423
  153    HG2  LYS  21           HG2      LYS  21 132.774  -5.102  -4.402
  154    HG3  LYS  21           HG3      LYS  21 132.110  -5.255  -2.767
  155    HD2  LYS  21           HD2      LYS  21 131.792  -7.629  -3.017
  156    HD3  LYS  21           HD3      LYS  21 132.215  -7.585  -4.734
  157    HE2  LYS  21           HE2      LYS  21 134.133  -6.761  -2.502
  158    HE3  LYS  21           HE3      LYS  21 134.020  -8.413  -3.119
  159    HZ1  LYS  21           HZ1      LYS  21 134.751  -6.048  -4.774
  160    HZ2  LYS  21           HZ2      LYS  21 135.783  -7.220  -4.262
  161    HZ3  LYS  21           HZ3      LYS  21 134.605  -7.585  -5.330
  162    H    GLY  22           H        GLY  22 131.968  -2.720  -2.925
  163    HA2  GLY  22           HA2      GLY  22 132.428  -0.590  -4.838
  164    HA3  GLY  22           HA3      GLY  22 133.305  -0.860  -3.339
  165    HA   PRO  23           HA       PRO  23 135.875  -2.142  -7.130
  166    HB2  PRO  23           HB2      PRO  23 137.303   0.093  -7.759
  167    HB3  PRO  23           HB3      PRO  23 135.622  -0.161  -8.320
  168    HG2  PRO  23           HG2      PRO  23 136.551   1.410  -5.893
  169    HG3  PRO  23           HG3      PRO  23 135.450   1.957  -7.202
  170    HD2  PRO  23           HD2      PRO  23 134.480   0.969  -4.857
  171    HD3  PRO  23           HD3      PRO  23 133.688   0.603  -6.415
  172    H    LYS  24           H        LYS  24 138.136  -2.533  -7.260
  173    HA   LYS  24           HA       LYS  24 139.548  -3.018  -4.820
  174    HB2  LYS  24           HB2      LYS  24 139.778  -4.297  -6.966
  175    HB3  LYS  24           HB3      LYS  24 140.501  -2.874  -7.719
  176    HG2  LYS  24           HG2      LYS  24 142.438  -3.014  -6.218
  177    HG3  LYS  24           HG3      LYS  24 141.707  -4.380  -5.352
  178    HD2  LYS  24           HD2      LYS  24 141.800  -5.762  -7.364
  179    HD3  LYS  24           HD3      LYS  24 142.325  -4.372  -8.342
  180    HE2  LYS  24           HE2      LYS  24 144.396  -4.197  -6.995
  181    HE3  LYS  24           HE3      LYS  24 143.900  -5.600  -6.032
  182    HZ1  LYS  24           HZ1      LYS  24 144.369  -5.651  -8.974
  183    HZ2  LYS  24           HZ2      LYS  24 145.442  -6.171  -7.857
  184    HZ3  LYS  24           HZ3      LYS  24 144.007  -6.953  -8.043
  185    H    GLY  25           H        GLY  25 141.263  -2.051  -3.834
  186    HA2  GLY  25           HA2      GLY  25 141.562   0.827  -4.065
  187    HA3  GLY  25           HA3      GLY  25 142.437  -0.240  -2.976
  188    HA   PRO  26           HA       PRO  26 145.187   1.232  -6.561
  189    HB2  PRO  26           HB2      PRO  26 146.591   3.289  -5.450
  190    HB3  PRO  26           HB3      PRO  26 144.952   3.507  -6.136
  191    HG2  PRO  26           HG2      PRO  26 145.703   3.043  -3.234
  192    HG3  PRO  26           HG3      PRO  26 144.654   4.336  -3.903
  193    HD2  PRO  26           HD2      PRO  26 143.600   2.044  -2.871
  194    HD3  PRO  26           HD3      PRO  26 142.889   2.822  -4.314
  195    H    LYS  27           H        LYS  27 147.491   0.966  -6.778
  196    HA   LYS  27           HA       LYS  27 148.722  -1.083  -5.241
  197    HB2  LYS  27           HB2      LYS  27 149.242  -0.427  -7.605
  198    HB3  LYS  27           HB3      LYS  27 150.036   1.034  -7.003
  199    HG2  LYS  27           HG2      LYS  27 151.711  -0.345  -5.826
  200    HG3  LYS  27           HG3      LYS  27 150.868  -1.824  -6.331
  201    HD2  LYS  27           HD2      LYS  27 151.359  -1.309  -8.696
  202    HD3  LYS  27           HD3      LYS  27 152.057   0.244  -8.233
  203    HE2  LYS  27           HE2      LYS  27 153.850  -1.273  -8.709
  204    HE3  LYS  27           HE3      LYS  27 153.863  -0.899  -6.984
  205    HZ1  LYS  27           HZ1      LYS  27 152.679  -3.382  -8.141
  206    HZ2  LYS  27           HZ2      LYS  27 154.177  -3.301  -7.500
  207    HZ3  LYS  27           HZ3      LYS  27 152.883  -3.065  -6.531
  208    H    GLY  28           H        GLY  28 150.337  -1.109  -3.704
  209    HA2  GLY  28           HA2      GLY  28 150.451   0.948  -1.711
  210    HA3  GLY  28           HA3      GLY  28 151.527  -0.441  -1.834
  211    HA   PRO  29           HA       PRO  29 153.487   3.816  -2.586
  212    HB2  PRO  29           HB2      PRO  29 155.467   3.703  -0.622
  213    HB3  PRO  29           HB3      PRO  29 153.823   4.373  -0.419
  214    HG2  PRO  29           HG2      PRO  29 154.809   1.604   0.292
  215    HG3  PRO  29           HG3      PRO  29 153.799   2.710   1.274
  216    HD2  PRO  29           HD2      PRO  29 152.675   0.696  -0.137
  217    HD3  PRO  29           HD3      PRO  29 151.888   2.299  -0.074
  218    H    LYS  30           H        LYS  30 155.008   4.177  -4.034
  219    HA   LYS  30           HA       LYS  30 157.212   2.227  -4.571
  220    HB2  LYS  30           HB2      LYS  30 155.267   1.652  -5.944
  221    HB3  LYS  30           HB3      LYS  30 155.117   3.298  -6.533
  222    HG2  LYS  30           HG2      LYS  30 157.712   1.821  -7.013
  223    HG3  LYS  30           HG3      LYS  30 156.282   1.352  -7.934
  224    HD2  LYS  30           HD2      LYS  30 156.017   3.621  -8.815
  225    HD3  LYS  30           HD3      LYS  30 157.424   4.180  -7.890
  226    HE2  LYS  30           HE2      LYS  30 158.861   2.537  -9.084
  227    HE3  LYS  30           HE3      LYS  30 157.459   1.988 -10.013
  228    HZ1  LYS  30           HZ1      LYS  30 158.576   4.747 -10.097
  229    HZ2  LYS  30           HZ2      LYS  30 158.766   3.615 -11.256
  230    HZ3  LYS  30           HZ3      LYS  30 157.285   4.230 -10.960
  231    H    GLY  31           H        GLY  31 159.089   3.119  -5.204
  232    HA2  GLY  31           HA2      GLY  31 159.837   5.257  -6.631
  233    HA3  GLY  31           HA3      GLY  31 159.427   6.057  -5.114
  234    HN1  NH2  32           HN1      NH2  32 161.989   6.333  -5.996
  235    HN2  NH2  32           HN2      NH2  32 163.071   5.375  -5.004
  236    H1   ACE  33           H1       ACE  33  81.308   4.757  -5.630
  237    H2   ACE  33           H2       ACE  33  80.962   3.317  -4.637
  238    H3   ACE  33           H3       ACE  33  82.264   3.278  -5.835
  239    H    ASP  34           H        ASP  34  78.470   3.287  -7.435
  240    HA   ASP  34           HA       ASP  34  79.108   5.586  -5.908
  241    HB2  ASP  34           HB2      ASP  34  76.460   4.231  -6.507
  242    HB3  ASP  34           HB3      ASP  34  76.618   5.825  -5.776
  243    HA   HYP  35           HA       HYP  35  76.833   3.284  -2.217
  244    HB2  HYP  35           HB2      HYP  35  78.739   0.958  -2.089
  245    HB3  HYP  35           HB3      HYP  35  77.055   1.063  -1.505
  246    HG   HYP  35           HG       HYP  35  77.662  -0.109  -3.885
  247   HD22  HYP  35          HD22      HYP  35  78.942   1.544  -4.897
  248   HD23  HYP  35          HD23      HYP  35  77.341   2.069  -5.488
  249    HD1  HYP  35           HD1      HYP  35  75.501   0.211  -3.296
  250    H    GLY  36           H        GLY  36  80.368   3.482  -2.662
  251    HA2  GLY  36           HA2      GLY  36  80.580   5.206  -0.330
  252    HA3  GLY  36           HA3      GLY  36  81.381   3.651  -0.103
  253    H    ASP  37           H        ASP  37  82.784   6.000   0.031
  254    HA   ASP  37           HA       ASP  37  83.908   6.905  -2.417
  255    HB2  ASP  37           HB2      ASP  37  84.611   7.244   0.514
  256    HB3  ASP  37           HB3      ASP  37  85.539   8.010  -0.761
  257    HA   HYP  38           HA       HYP  38  87.380   4.178  -3.176
  258    HB2  HYP  38           HB2      HYP  38  89.006   6.657  -3.685
  259    HB3  HYP  38           HB3      HYP  38  88.817   5.212  -4.715
  260    HG   HYP  38           HG       HYP  38  87.535   7.579  -5.241
  261   HD22  HYP  38          HD22      HYP  38  86.403   7.932  -3.226
  262   HD23  HYP  38          HD23      HYP  38  85.164   6.964  -4.074
  263    HD1  HYP  38           HD1      HYP  38  87.159   5.782  -6.542
  264    H    GLY  39           H        GLY  39  89.231   3.326  -2.230
  265    HA2  GLY  39           HA2      GLY  39  90.254   4.536   0.276
  266    HA3  GLY  39           HA3      GLY  39  90.626   2.937  -0.331
  267    H    ASP  40           H        ASP  40  92.443   4.806   0.687
  268    HA   ASP  40           HA       ASP  40  93.841   6.161  -1.461
  269    HB2  ASP  40           HB2      ASP  40  94.098   6.000   1.541
  270    HB3  ASP  40           HB3      ASP  40  95.371   6.718   0.573
  271    HA   HYP  41           HA       HYP  41  97.264   3.372  -2.326
  272    HB2  HYP  41           HB2      HYP  41  99.032   5.758  -1.884
  273    HB3  HYP  41           HB3      HYP  41  99.011   4.619  -3.256
  274    HG   HYP  41           HG       HYP  41  97.947   7.140  -3.397
  275   HD22  HYP  41          HD22      HYP  41  96.403   7.097  -1.650
  276   HD23  HYP  41          HD23      HYP  41  95.351   6.423  -2.927
  277    HD1  HYP  41           HD1      HYP  41  96.651   6.370  -5.054
  278    H    GLY  42           H        GLY  42  98.981   2.267  -1.291
  279    HA2  GLY  42           HA2      GLY  42  99.196   2.461   1.616
  280    HA3  GLY  42           HA3      GLY  42 100.017   1.321   0.567
  281    H    ASP  43           H        ASP  43 101.317   2.360   2.753
  282    HA   ASP  43           HA       ASP  43 103.034   4.531   2.139
  283    HB2  ASP  43           HB2      ASP  43 102.892   2.529   4.286
  284    HB3  ASP  43           HB3      ASP  43 104.504   3.127   3.964
  285    HA   HYP  44           HA       HYP  44 106.280   2.815  -0.460
  286    HB2  HYP  44           HB2      HYP  44 108.030   4.624   1.184
  287    HB3  HYP  44           HB3      HYP  44 107.943   4.461  -0.589
  288    HG   HYP  44           HG       HYP  44 106.824   6.576   0.745
  289   HD22  HYP  44          HD22      HYP  44 105.463   5.443   2.272
  290   HD23  HYP  44          HD23      HYP  44 104.303   5.613   0.922
  291    HD1  HYP  44           HD1      HYP  44 106.534   6.437  -1.468
  292    H    GLY  45           H        GLY  45 107.890   1.251  -0.278
  293    HA2  GLY  45           HA2      GLY  45 108.345  -0.103   2.253
  294    HA3  GLY  45           HA3      GLY  45 109.143  -0.431   0.718
  295    H    ASP  46           H        ASP  46 110.512  -0.550   3.157
  296    HA   ASP  46           HA       ASP  46 112.041   1.862   3.624
  297    HB2  ASP  46           HB2      ASP  46 112.151  -1.011   4.575
  298    HB3  ASP  46           HB3      ASP  46 113.465   0.095   4.918
  299    HA   HYP  47           HA       HYP  47 115.276   1.472   0.601
  300    HB2  HYP  47           HB2      HYP  47 117.249   1.918   2.821
  301    HB3  HYP  47           HB3      HYP  47 117.109   2.764   1.255
  302    HG   HYP  47           HG       HYP  47 116.249   3.860   3.624
  303   HD22  HYP  47          HD22      HYP  47 114.734   2.250   4.364
  304   HD23  HYP  47          HD23      HYP  47 113.619   3.202   3.343
  305    HD1  HYP  47           HD1      HYP  47 115.983   4.961   1.671
  306    H    GLY  48           H        GLY  48 116.953   0.152  -0.178
  307    HA2  GLY  48           HA2      GLY  48 117.479  -2.437   1.112
  308    HA3  GLY  48           HA3      GLY  48 118.214  -1.818  -0.356
  309    H    ASP  49           H        ASP  49 119.653  -3.168   1.630
  310    HA   ASP  49           HA       ASP  49 121.038  -1.281   3.331
  311    HB2  ASP  49           HB2      ASP  49 121.192  -4.249   2.790
  312    HB3  ASP  49           HB3      ASP  49 122.452  -3.452   3.702
  313    HA   HYP  50           HA       HYP  50 124.511  -0.055   0.872
  314    HB2  HYP  50           HB2      HYP  50 126.313  -0.998   3.081
  315    HB3  HYP  50           HB3      HYP  50 126.280   0.586   2.263
  316    HG   HYP  50           HG       HYP  50 125.242   0.182   4.776
  317   HD22  HYP  50          HD22      HYP  50 123.701  -1.514   4.379
  318   HD23  HYP  50          HD23      HYP  50 122.646  -0.120   4.011
  319    HD1  HYP  50           HD1      HYP  50 125.090   2.206   3.813
  320    H    GLY  51           H        GLY  51 126.039  -0.842  -0.562
  321    HA2  GLY  51           HA2      GLY  51 126.409  -3.699  -0.930
  322    HA3  GLY  51           HA3      GLY  51 127.245  -2.413  -1.782
  323    H    ASP  52           H        ASP  52 128.495  -4.784  -0.988
  324    HA   ASP  52           HA       ASP  52 129.936  -4.530   1.454
  325    HB2  ASP  52           HB2      ASP  52 130.168  -6.256  -1.016
  326    HB3  ASP  52           HB3      ASP  52 131.393  -6.322   0.240
  327    HA   HYP  53           HA       HYP  53 133.440  -1.889   0.398
  328    HB2  HYP  53           HB2      HYP  53 135.040  -3.870   1.993
  329    HB3  HYP  53           HB3      HYP  53 135.009  -2.091   2.123
  330    HG   HYP  53           HG       HYP  53 133.724  -3.726   3.915
  331   HD22  HYP  53          HD22      HYP  53 132.359  -4.974   2.488
  332   HD23  HYP  53          HD23      HYP  53 131.255  -3.601   2.788
  333    HD1  HYP  53           HD1      HYP  53 133.534  -1.505   4.133
  334    H    GLY  54           H        GLY  54 135.179  -1.831  -1.015
  335    HA2  GLY  54           HA2      GLY  54 135.589  -4.041  -2.851
  336    HA3  GLY  54           HA3      GLY  54 136.412  -2.488  -2.854
  337    H    ASP  55           H        ASP  55 137.772  -4.754  -3.527
  338    HA   ASP  55           HA       ASP  55 139.139  -6.035  -1.370
  339    HB2  ASP  55           HB2      ASP  55 139.549  -5.874  -4.377
  340    HB3  ASP  55           HB3      ASP  55 140.589  -6.821  -3.324
  341    HA   HYP  56           HA       HYP  56 142.617  -3.215  -0.644
  342    HB2  HYP  56           HB2      HYP  56 144.230  -5.742  -0.462
  343    HB3  HYP  56           HB3      HYP  56 144.180  -4.362   0.666
  344    HG   HYP  56           HG       HYP  56 142.920  -6.739   1.182
  345   HD22  HYP  56          HD22      HYP  56 141.553  -6.949  -0.705
  346   HD23  HYP  56          HD23      HYP  56 140.435  -6.004   0.320
  347    HD1  HYP  56           HD1      HYP  56 141.494  -5.566   2.486
  348    H    GLY  57           H        GLY  57 144.295  -2.319  -1.842
  349    HA2  GLY  57           HA2      GLY  57 144.797  -3.154  -4.568
  350    HA3  GLY  57           HA3      GLY  57 145.674  -1.930  -3.663
  351    H    ASP  58           H        ASP  58 147.067  -3.511  -5.424
  352    HA   ASP  58           HA       ASP  58 148.292  -5.777  -4.098
  353    HB2  ASP  58           HB2      ASP  58 148.703  -4.284  -6.699
  354    HB3  ASP  58           HB3      ASP  58 149.886  -5.453  -6.154
  355    HA   HYP  59           HA       HYP  59 151.539  -4.025  -1.771
  356    HB2  HYP  59           HB2      HYP  59 153.537  -5.719  -3.238
  357    HB3  HYP  59           HB3      HYP  59 153.277  -5.556  -1.481
  358    HG   HYP  59           HG       HYP  59 152.396  -7.718  -2.939
  359   HD22  HYP  59          HD22      HYP  59 151.016  -6.722  -4.510
  360   HD23  HYP  59          HD23      HYP  59 149.816  -6.863  -3.198
  361    HD1  HYP  59           HD1      HYP  59 151.997  -7.595  -0.727
  362    H    GLY  60           H        GLY  60 153.213  -2.532  -1.702
  363    HA2  GLY  60           HA2      GLY  60 153.801  -0.925  -4.055
  364    HA3  GLY  60           HA3      GLY  60 154.451  -0.723  -2.430
  365    H    ASP  61           H        ASP  61 156.073  -0.200  -4.444
  366    HA   ASP  61           HA       ASP  61 158.122  -2.381  -4.410
  367    HB2  ASP  61           HB2      ASP  61 156.469  -1.916  -6.623
  368    HB3  ASP  61           HB3      ASP  61 157.510  -0.559  -6.814
  369    HA   HYP  62           HA       HYP  62 160.030   1.850  -3.634
  370    HB2  HYP  62           HB2      HYP  62 160.334   1.938  -0.916
  371    HB3  HYP  62           HB3      HYP  62 158.874   2.501  -1.769
  372    HG   HYP  62           HG       HYP  62 159.243   0.048  -0.112
  373   HD22  HYP  62          HD22      HYP  62 158.960  -1.426  -1.812
  374   HD23  HYP  62          HD23      HYP  62 157.365  -0.693  -2.110
  375    HD1  HYP  62           HD1      HYP  62 156.887   1.263  -1.191
  376    H    GLY  63           H        GLY  63 162.254   2.275  -2.839
  377    HA2  GLY  63           HA2      GLY  63 163.895   0.231  -1.638
  378    HA3  GLY  63           HA3      GLY  63 164.161   0.287  -3.380
  379    HN1  NH2  64           HN1      NH2  64 166.374   0.768  -2.088
  380    HN2  NH2  64           HN2      NH2  64 166.754   2.477  -1.989
  381    H1   ACE  65           H1       ACE  65  85.101   0.002   3.938
  382    H2   ACE  65           H2       ACE  65  84.247  -1.473   4.425
  383    H3   ACE  65           H3       ACE  65  85.972  -1.543   3.985
  384    HA   PRO  66           HA       PRO  66  85.053  -2.965   0.019
  385    HB2  PRO  66           HB2      PRO  66  82.649  -4.603   0.836
  386    HB3  PRO  66           HB3      PRO  66  84.012  -5.053  -0.237
  387    HG2  PRO  66           HG2      PRO  66  84.021  -5.850   2.345
  388    HG3  PRO  66           HG3      PRO  66  85.522  -5.194   1.611
  389    HD2  PRO  66           HD2      PRO  66  83.550  -3.797   3.425
  390    HD3  PRO  66           HD3      PRO  66  85.338  -3.750   3.440
  391    HA   HYP  67           HA       HYP  67  80.574  -1.269  -1.152
  392    HB2  HYP  67           HB2      HYP  67  80.646   0.771   1.082
  393    HB3  HYP  67           HB3      HYP  67  79.230   0.197   0.148
  394    HG   HYP  67           HG       HYP  67  79.732  -0.881   2.564
  395   HD22  HYP  67          HD22      HYP  67  82.036  -1.245   2.374
  396   HD23  HYP  67          HD23      HYP  67  81.456  -2.859   1.878
  397    HD1  HYP  67           HD1      HYP  67  78.227  -1.887   1.218
  398    H    GLY  68           H        GLY  68  83.431   0.540   0.013
  399    HA2  GLY  68           HA2      GLY  68  83.408   2.091  -2.548
  400    HA3  GLY  68           HA3      GLY  68  84.298   2.547  -1.101
  401    HA   PRO  69           HA       PRO  69  86.492  -0.580  -4.012
  402    HB2  PRO  69           HB2      PRO  69  87.963   0.937  -5.779
  403    HB3  PRO  69           HB3      PRO  69  86.290   0.369  -6.052
  404    HG2  PRO  69           HG2      PRO  69  87.206   3.066  -5.054
  405    HG3  PRO  69           HG3      PRO  69  85.969   2.707  -6.295
  406    HD2  PRO  69           HD2      PRO  69  85.286   3.281  -3.711
  407    HD3  PRO  69           HD3      PRO  69  84.375   2.086  -4.679
  408    HA   HYP  70           HA       HYP  70  90.198  -0.204  -1.365
  409    HB2  HYP  70           HB2      HYP  70  91.405  -2.049  -3.401
  410    HB3  HYP  70           HB3      HYP  70  91.413  -2.188  -1.626
  411    HG   HYP  70           HG       HYP  70  89.781  -3.683  -3.256
  412   HD22  HYP  70          HD22      HYP  70  88.527  -2.067  -4.360
  413   HD23  HYP  70          HD23      HYP  70  87.547  -2.133  -2.865
  414    HD1  HYP  70           HD1      HYP  70  88.446  -3.927  -1.463
  415    H    GLY  71           H        GLY  71  92.308   0.661  -1.383
  416    HA2  GLY  71           HA2      GLY  71  93.168   2.134  -3.824
  417    HA3  GLY  71           HA3      GLY  71  93.805   2.332  -2.202
  418    HA   PRO  72           HA       PRO  72  96.398  -0.679  -4.825
  419    HB2  PRO  72           HB2      PRO  72  98.360   0.886  -5.907
  420    HB3  PRO  72           HB3      PRO  72  96.731   0.745  -6.635
  421    HG2  PRO  72           HG2      PRO  72  97.750   2.902  -4.760
  422    HG3  PRO  72           HG3      PRO  72  96.924   3.117  -6.337
  423    HD2  PRO  72           HD2      PRO  72  95.562   3.230  -3.973
  424    HD3  PRO  72           HD3      PRO  72  94.836   2.499  -5.435
  425    HA   HYP  73           HA       HYP  73  99.536  -1.092  -1.615
  426    HB2  HYP  73           HB2      HYP  73 101.665  -2.165  -3.184
  427    HB3  HYP  73           HB3      HYP  73 100.427  -3.056  -2.274
  428    HG   HYP  73           HG       HYP  73 100.636  -2.566  -5.190
  429   HD22  HYP  73          HD22      HYP  73  98.688  -1.500  -5.555
  430   HD23  HYP  73          HD23      HYP  73  97.801  -2.535  -4.404
  431    HD1  HYP  73           HD1      HYP  73 100.475  -4.665  -4.353
  432    H    GLY  74           H        GLY  74 101.559  -0.210  -0.882
  433    HA2  GLY  74           HA2      GLY  74 102.435   2.259  -2.168
  434    HA3  GLY  74           HA3      GLY  74 103.154   1.490  -0.763
  435    HA   PRO  75           HA       PRO  75 105.542   0.648  -4.803
  436    HB2  PRO  75           HB2      PRO  75 107.440   2.625  -4.919
  437    HB3  PRO  75           HB3      PRO  75 105.775   2.827  -5.541
  438    HG2  PRO  75           HG2      PRO  75 106.856   3.657  -2.825
  439    HG3  PRO  75           HG3      PRO  75 105.933   4.656  -3.996
  440    HD2  PRO  75           HD2      PRO  75 104.692   3.411  -1.921
  441    HD3  PRO  75           HD3      PRO  75 103.919   3.509  -3.529
  442    HA   HYP  76           HA       HYP  76 109.059  -1.379  -2.740
  443    HB2  HYP  76           HB2      HYP  76 110.653  -0.522  -5.138
  444    HB3  HYP  76           HB3      HYP  76 110.543  -2.134  -4.386
  445    HG   HYP  76           HG       HYP  76 109.248  -1.479  -6.722
  446   HD22  HYP  76          HD22      HYP  76 107.954   0.334  -6.055
  447   HD23  HYP  76          HD23      HYP  76 106.815  -0.963  -5.594
  448    HD1  HYP  76           HD1      HYP  76 109.022  -3.532  -5.818
  449    H    GLY  77           H        GLY  77 110.806  -0.740  -1.449
  450    HA2  GLY  77           HA2      GLY  77 111.424   2.062  -1.105
  451    HA3  GLY  77           HA3      GLY  77 112.306   0.715  -0.399
  452    HA   PRO  78           HA       PRO  78 114.612   2.679  -4.076
  453    HB2  PRO  78           HB2      PRO  78 116.502   4.119  -2.438
  454    HB3  PRO  78           HB3      PRO  78 115.332   4.752  -3.623
  455    HG2  PRO  78           HG2      PRO  78 115.196   4.969  -0.764
  456    HG3  PRO  78           HG3      PRO  78 113.965   5.457  -1.956
  457    HD2  PRO  78           HD2      PRO  78 113.993   3.090  -0.209
  458    HD3  PRO  78           HD3      PRO  78 112.647   3.822  -1.122
  459    HA   HYP  79           HA       HYP  79 117.875  -0.441  -3.562
  460    HB2  HYP  79           HB2      HYP  79 119.552   1.403  -5.236
  461    HB3  HYP  79           HB3      HYP  79 119.276  -0.348  -5.431
  462    HG   HYP  79           HG       HYP  79 118.050   1.542  -7.007
  463   HD22  HYP  79          HD22      HYP  79 116.944   2.844  -5.421
  464   HD23  HYP  79          HD23      HYP  79 115.691   1.587  -5.651
  465    HD1  HYP  79           HD1      HYP  79 117.604  -0.646  -7.296
  466    H    GLY  80           H        GLY  80 119.783  -0.744  -2.356
  467    HA2  GLY  80           HA2      GLY  80 120.587   1.311  -0.481
  468    HA3  GLY  80           HA3      GLY  80 121.354  -0.256  -0.706
  469    HA   PRO  81           HA       PRO  81 123.855   3.305  -2.639
  470    HB2  PRO  81           HB2      PRO  81 125.682   3.957  -0.698
  471    HB3  PRO  81           HB3      PRO  81 124.044   4.672  -0.789
  472    HG2  PRO  81           HG2      PRO  81 124.959   2.325   0.898
  473    HG3  PRO  81           HG3      PRO  81 124.034   3.768   1.427
  474    HD2  PRO  81           HD2      PRO  81 122.785   1.425   0.818
  475    HD3  PRO  81           HD3      PRO  81 122.059   2.999   0.385
  476    HA   HYP  82           HA       HYP  82 127.255   0.516  -3.790
  477    HB2  HYP  82           HB2      HYP  82 128.988   2.966  -3.785
  478    HB3  HYP  82           HB3      HYP  82 128.820   1.716  -5.044
  479    HG   HYP  82           HG       HYP  82 127.661   4.198  -5.245
  480   HD22  HYP  82          HD22      HYP  82 126.367   4.270  -3.306
  481   HD23  HYP  82          HD23      HYP  82 125.183   3.472  -4.384
  482    HD1  HYP  82           HD1      HYP  82 127.351   2.654  -6.855
  483    H    GLY  83           H        GLY  83 128.903  -0.587  -2.760
  484    HA2  GLY  83           HA2      GLY  83 129.715   0.096  -0.040
  485    HA3  GLY  83           HA3      GLY  83 130.382  -1.182  -1.049
  486    HA   PRO  84           HA       PRO  84 133.016   2.807  -0.996
  487    HB2  PRO  84           HB2      PRO  84 134.831   2.437   1.031
  488    HB3  PRO  84           HB3      PRO  84 133.208   3.151   1.272
  489    HG2  PRO  84           HG2      PRO  84 134.049   0.265   1.691
  490    HG3  PRO  84           HG3      PRO  84 133.137   1.324   2.816
  491    HD2  PRO  84           HD2      PRO  84 131.864  -0.442   1.179
  492    HD3  PRO  84           HD3      PRO  84 131.172   1.172   1.513
  493    HA   HYP  85           HA       HYP  85 136.413   0.802  -3.280
  494    HB2  HYP  85           HB2      HYP  85 138.121   3.015  -2.180
  495    HB3  HYP  85           HB3      HYP  85 137.974   2.445  -3.863
  496    HG   HYP  85           HG       HYP  85 136.789   4.756  -2.972
  497   HD22  HYP  85          HD22      HYP  85 135.497   3.955  -1.200
  498   HD23  HYP  85          HD23      HYP  85 134.316   3.715  -2.521
  499    HD1  HYP  85           HD1      HYP  85 136.494   4.059  -5.098
  500    H    GLY  86           H        GLY  86 138.175  -0.560  -2.816
  501    HA2  GLY  86           HA2      GLY  86 138.697  -1.304  -0.059
  502    HA3  GLY  86           HA3      GLY  86 139.557  -1.883  -1.478
  503    HA   PRO  87           HA       PRO  87 142.000   1.341   1.021
  504    HB2  PRO  87           HB2      PRO  87 143.723  -0.194   2.513
  505    HB3  PRO  87           HB3      PRO  87 142.065   0.227   3.041
  506    HG2  PRO  87           HG2      PRO  87 142.992  -2.309   1.659
  507    HG3  PRO  87           HG3      PRO  87 141.992  -2.163   3.141
  508    HD2  PRO  87           HD2      PRO  87 140.859  -2.560   0.696
  509    HD3  PRO  87           HD3      PRO  87 140.094  -1.487   1.905
  510    HA   HYP  88           HA       HYP  88 145.632   1.149  -1.722
  511    HB2  HYP  88           HB2      HYP  88 147.186   2.070   0.676
  512    HB3  HYP  88           HB3      HYP  88 147.199   2.720  -0.985
  513    HG   HYP  88           HG       HYP  88 145.896   3.965   1.078
  514   HD22  HYP  88          HD22      HYP  88 144.472   2.261   1.812
  515   HD23  HYP  88          HD23      HYP  88 143.407   2.969   0.563
  516    HD1  HYP  88           HD1      HYP  88 144.528   4.868  -0.483
  517    H    GLY  89           H        GLY  89 147.256  -0.356  -2.135
  518    HA2  GLY  89           HA2      GLY  89 147.417  -2.739  -0.575
  519    HA3  GLY  89           HA3      GLY  89 148.516  -2.292  -1.876
  520    HA   PRO  90           HA       PRO  90 150.397  -2.016   2.499
  521    HB2  PRO  90           HB2      PRO  90 151.862  -4.333   2.684
  522    HB3  PRO  90           HB3      PRO  90 150.130  -4.215   3.117
  523    HG2  PRO  90           HG2      PRO  90 151.337  -5.141   0.497
  524    HG3  PRO  90           HG3      PRO  90 150.084  -5.966   1.484
  525    HD2  PRO  90           HD2      PRO  90 149.416  -4.416  -0.648
  526    HD3  PRO  90           HD3      PRO  90 148.426  -4.402   0.843
  527    HA   HYP  91           HA       HYP  91 154.462  -0.609   1.026
  528    HB2  HYP  91           HB2      HYP  91 155.566  -1.872   3.507
  529    HB3  HYP  91           HB3      HYP  91 155.855  -0.236   2.855
  530    HG   HYP  91           HG       HYP  91 154.185  -0.687   4.974
  531   HD22  HYP  91          HD22      HYP  91 152.700  -2.267   4.049
  532   HD23  HYP  91          HD23      HYP  91 151.849  -0.770   3.586
  533    HD1  HYP  91           HD1      HYP  91 153.063   1.186   4.326
  534    H    GLY  92           H        GLY  92 156.448  -1.409   0.195
  535    HA2  GLY  92           HA2      GLY  92 156.423  -4.228  -0.654
  536    HA3  GLY  92           HA3      GLY  92 157.568  -2.989  -1.128
  537    HA   PRO  93           HA       PRO  93 159.623  -6.227   1.528
  538    HB2  PRO  93           HB2      PRO  93 161.886  -5.296  -0.240
  539    HB3  PRO  93           HB3      PRO  93 161.538  -6.934   0.387
  540    HG2  PRO  93           HG2      PRO  93 160.823  -6.273  -2.139
  541    HG3  PRO  93           HG3      PRO  93 159.693  -7.201  -1.101
  542    HD2  PRO  93           HD2      PRO  93 159.659  -4.250  -1.746
  543    HD3  PRO  93           HD3      PRO  93 158.299  -5.410  -1.647
  544    HA   HYP  94           HA       HYP  94 162.776  -2.815   3.160
  545    HB2  HYP  94           HB2      HYP  94 161.001  -0.450   2.530
  546    HB3  HYP  94           HB3      HYP  94 162.777  -0.491   2.735
  547    HG   HYP  94           HG       HYP  94 161.662  -0.439   0.268
  548   HD22  HYP  94          HD22      HYP  94 160.090  -2.158   0.491
  549   HD23  HYP  94          HD23      HYP  94 161.438  -3.100  -0.198
  550    HD1  HYP  94           HD1      HYP  94 163.660  -2.378   0.946
  551    H    GLY  95           H        GLY  95 162.717  -2.091   5.310
  552    HA2  GLY  95           HA2      GLY  95 160.448  -1.191   6.763
  553    HA3  GLY  95           HA3      GLY  95 160.578  -2.937   6.981
  554    HN1  NH2  96           HN1      NH2  96 160.770  -1.758   9.283
  555    HN2  NH2  96           HN2      NH2  96 162.424  -1.560   9.829
  Start of MODEL   14
    1    H1   ACE   1           H1       ACE   1  74.243  10.471   5.065
    2    H2   ACE   1           H2       ACE   1  72.639  10.191   5.785
    3    H3   ACE   1           H3       ACE   1  74.100   9.567   6.585
    4    HA   PRO   2           HA       PRO   2  72.334   6.550   3.302
    5    HB2  PRO   2           HB2      PRO   2  71.996   7.259   0.695
    6    HB3  PRO   2           HB3      PRO   2  70.850   7.761   1.974
    7    HG2  PRO   2           HG3      PRO   2  73.178   9.356   0.841
    8    HG3  PRO   2           HG2      PRO   2  71.469   9.875   1.014
    9    HD2  PRO   2           HD3      PRO   2  73.357  10.492   2.880
   10    HD3  PRO   2           HD2      PRO   2  71.677  10.097   3.355
   11    H    LYS   3           H        LYS   3  75.217   8.277   2.866
   12    HA   LYS   3           HA       LYS   3  76.505   6.973   0.690
   13    HB2  LYS   3           HB2      LYS   3  77.625   8.313   3.193
   14    HB3  LYS   3           HB3      LYS   3  78.616   7.784   1.828
   15    HG2  LYS   3           HG2      LYS   3  77.305   9.237   0.297
   16    HG3  LYS   3           HG3      LYS   3  76.373   9.853   1.665
   17    HD2  LYS   3           HD2      LYS   3  79.405  10.088   1.413
   18    HD3  LYS   3           HD3      LYS   3  78.260  11.328   0.883
   19    HE2  LYS   3           HE2      LYS   3  77.370  11.523   3.190
   20    HE3  LYS   3           HE3      LYS   3  78.523  10.300   3.747
   21    HZ1  LYS   3           HZ1      LYS   3  79.275  12.920   2.551
   22    HZ2  LYS   3           HZ2      LYS   3  79.339  12.563   4.142
   23    HZ3  LYS   3           HZ3      LYS   3  80.331  11.797   3.097
   24    H    GLY   4           H        GLY   4  78.143   5.439   0.599
   25    HA2  GLY   4           HA2      GLY   4  78.003   3.221   2.601
   26    HA3  GLY   4           HA3      GLY   4  78.394   3.068   0.898
   27    HA   PRO   5           HA       PRO   5  82.087   3.092   3.725
   28    HB2  PRO   5           HB2      PRO   5  83.354   0.806   2.899
   29    HB3  PRO   5           HB3      PRO   5  81.917   0.801   3.966
   30    HG2  PRO   5           HG2      PRO   5  81.993   0.420   0.953
   31    HG3  PRO   5           HG3      PRO   5  81.164  -0.597   2.175
   32    HD2  PRO   5           HD2      PRO   5  79.849   1.339   0.788
   33    HD3  PRO   5           HD3      PRO   5  79.476   1.022   2.510
   34    H    LYS   6           H        LYS   6  84.038   4.036   3.465
   35    HA   LYS   6           HA       LYS   6  85.440   4.205   0.871
   36    HB2  LYS   6           HB2      LYS   6  85.663   6.042   2.556
   37    HB3  LYS   6           HB3      LYS   6  86.393   4.890   3.689
   38    HG2  LYS   6           HG2      LYS   6  88.253   4.496   2.102
   39    HG3  LYS   6           HG3      LYS   6  87.533   5.603   0.940
   40    HD2  LYS   6           HD2      LYS   6  87.862   7.494   2.442
   41    HD3  LYS   6           HD3      LYS   6  88.430   6.405   3.729
   42    HE2  LYS   6           HE2      LYS   6  90.293   5.648   2.289
   43    HE3  LYS   6           HE3      LYS   6  89.755   6.722   0.992
   44    HZ1  LYS   6           HZ1      LYS   6  90.595   7.686   3.679
   45    HZ2  LYS   6           HZ2      LYS   6  91.597   7.598   2.394
   46    HZ3  LYS   6           HZ3      LYS   6  90.300   8.615   2.359
   47    H    GLY   7           H        GLY   7  87.035   2.817   0.215
   48    HA2  GLY   7           HA2      GLY   7  87.223   0.199   1.367
   49    HA3  GLY   7           HA3      GLY   7  88.265   0.843   0.104
   50    HA   PRO   8           HA       PRO   8  90.541   0.580   4.297
   51    HB2  PRO   8           HB2      PRO   8  91.742  -1.886   4.236
   52    HB3  PRO   8           HB3      PRO   8  90.094  -1.606   4.875
   53    HG2  PRO   8           HG2      PRO   8  90.874  -2.530   2.093
   54    HG3  PRO   8           HG3      PRO   8  89.678  -3.276   3.206
   55    HD2  PRO   8           HD2      PRO   8  88.862  -1.583   1.255
   56    HD3  PRO   8           HD3      PRO   8  88.135  -1.506   2.879
   57    H    LYS   9           H        LYS   9  92.721   0.941   4.591
   58    HA   LYS   9           HA       LYS   9  94.365   1.692   2.335
   59    HB2  LYS   9           HB2      LYS   9  94.387   2.838   4.557
   60    HB3  LYS   9           HB3      LYS   9  94.988   1.364   5.314
   61    HG2  LYS   9           HG2      LYS   9  97.096   1.518   4.143
   62    HG3  LYS   9           HG3      LYS   9  96.506   2.851   3.130
   63    HD2  LYS   9           HD2      LYS   9  96.342   4.331   5.033
   64    HD3  LYS   9           HD3      LYS   9  96.707   3.033   6.175
   65    HE2  LYS   9           HE2      LYS   9  98.649   3.893   3.983
   66    HE3  LYS   9           HE3      LYS   9  98.594   4.687   5.560
   67    HZ1  LYS   9           HZ1      LYS   9  99.141   1.788   5.178
   68    HZ2  LYS   9           HZ2      LYS   9 100.260   2.935   5.550
   69    HZ3  LYS   9           HZ3      LYS   9  99.084   2.567   6.619
   70    H    GLY  10           H        GLY  10  96.136   0.742   1.438
   71    HA2  GLY  10           HA2      GLY  10  96.284  -2.152   1.519
   72    HA3  GLY  10           HA3      GLY  10  97.277  -1.083   0.542
   73    HA   PRO  11           HA       PRO  11  99.694  -2.926   4.214
   74    HB2  PRO  11           HB2      PRO  11 100.993  -5.051   3.088
   75    HB3  PRO  11           HB3      PRO  11  99.315  -5.157   3.699
   76    HG2  PRO  11           HG2      PRO  11 100.219  -4.656   0.839
   77    HG3  PRO  11           HG3      PRO  11  99.052  -5.888   1.425
   78    HD2  PRO  11           HD2      PRO  11  98.192  -3.508   0.446
   79    HD3  PRO  11           HD3      PRO  11  97.404  -4.250   1.867
   80    H    LYS  12           H        LYS  12 101.918  -2.763   4.634
   81    HA   LYS  12           HA       LYS  12 103.534  -0.942   3.157
   82    HB2  LYS  12           HB2      LYS  12 103.711  -1.408   5.605
   83    HB3  LYS  12           HB3      LYS  12 104.287  -3.035   5.246
   84    HG2  LYS  12           HG2      LYS  12 106.317  -2.130   4.203
   85    HG3  LYS  12           HG3      LYS  12 105.736  -0.474   4.434
   86    HD2  LYS  12           HD2      LYS  12 105.790  -0.796   6.893
   87    HD3  LYS  12           HD3      LYS  12 106.305  -2.484   6.661
   88    HE2  LYS  12           HE2      LYS  12 108.324  -1.655   5.424
   89    HE3  LYS  12           HE3      LYS  12 107.841   0.010   5.785
   90    HZ1  LYS  12           HZ1      LYS  12 108.459  -2.053   7.842
   91    HZ2  LYS  12           HZ2      LYS  12 109.499  -0.894   7.348
   92    HZ3  LYS  12           HZ3      LYS  12 108.118  -0.477   8.144
   93    H    GLY  13           H        GLY  13 105.218  -1.169   1.751
   94    HA2  GLY  13           HA2      GLY  13 105.268  -3.498   0.027
   95    HA3  GLY  13           HA3      GLY  13 106.302  -2.082  -0.091
   96    HA   PRO  14           HA       PRO  14 108.619  -5.863   1.629
   97    HB2  PRO  14           HB2      PRO  14 109.958  -6.800  -0.562
   98    HB3  PRO  14           HB3      PRO  14 108.266  -7.257  -0.192
   99    HG2  PRO  14           HG2      PRO  14 109.232  -5.074  -2.065
  100    HG3  PRO  14           HG3      PRO  14 108.048  -6.376  -2.413
  101    HD2  PRO  14           HD2      PRO  14 107.225  -3.890  -1.678
  102    HD3  PRO  14           HD3      PRO  14 106.385  -5.347  -1.082
  103    H    LYS  15           H        LYS  15 110.807  -5.939   2.192
  104    HA   LYS  15           HA       LYS  15 112.400  -3.577   2.181
  105    HB2  LYS  15           HB2      LYS  15 112.550  -5.545   3.776
  106    HB3  LYS  15           HB3      LYS  15 113.328  -6.465   2.482
  107    HG2  LYS  15           HG2      LYS  15 115.083  -4.612   2.398
  108    HG3  LYS  15           HG3      LYS  15 114.339  -3.910   3.823
  109    HD2  LYS  15           HD2      LYS  15 116.206  -5.164   4.584
  110    HD3  LYS  15           HD3      LYS  15 114.789  -6.142   5.005
  111    HE2  LYS  15           HE2      LYS  15 115.153  -7.554   3.005
  112    HE3  LYS  15           HE3      LYS  15 116.488  -6.511   2.485
  113    HZ1  LYS  15           HZ1      LYS  15 116.513  -8.045   5.037
  114    HZ2  LYS  15           HZ2      LYS  15 117.217  -8.561   3.657
  115    HZ3  LYS  15           HZ3      LYS  15 117.777  -7.212   4.378
  116    H    GLY  16           H        GLY  16 114.036  -2.837   0.889
  117    HA2  GLY  16           HA2      GLY  16 114.147  -3.606  -1.878
  118    HA3  GLY  16           HA3      GLY  16 115.233  -2.480  -1.070
  119    HA   PRO  17           HA       PRO  17 117.394  -6.608  -2.028
  120    HB2  PRO  17           HB2      PRO  17 118.647  -6.141  -4.404
  121    HB3  PRO  17           HB3      PRO  17 116.935  -6.653  -4.303
  122    HG2  PRO  17           HG2      PRO  17 118.016  -3.834  -4.609
  123    HG3  PRO  17           HG3      PRO  17 116.741  -4.638  -5.581
  124    HD2  PRO  17           HD2      PRO  17 116.143  -2.992  -3.482
  125    HD3  PRO  17           HD3      PRO  17 115.162  -4.443  -3.847
  126    H    LYS  18           H        LYS  18 119.631  -7.056  -1.833
  127    HA   LYS  18           HA       LYS  18 121.207  -5.287  -0.278
  128    HB2  LYS  18           HB2      LYS  18 121.319  -7.784  -0.339
  129    HB3  LYS  18           HB3      LYS  18 122.055  -7.697  -1.946
  130    HG2  LYS  18           HG2      LYS  18 124.006  -6.512  -0.997
  131    HG3  LYS  18           HG3      LYS  18 123.256  -6.535   0.612
  132    HD2  LYS  18           HD2      LYS  18 123.355  -8.977   0.669
  133    HD3  LYS  18           HD3      LYS  18 123.909  -9.031  -1.021
  134    HE2  LYS  18           HE2      LYS  18 125.947  -7.778  -0.412
  135    HE3  LYS  18           HE3      LYS  18 125.429  -7.717   1.281
  136    HZ1  LYS  18           HZ1      LYS  18 125.928 -10.245  -0.210
  137    HZ2  LYS  18           HZ2      LYS  18 127.039  -9.519   0.738
  138    HZ3  LYS  18           HZ3      LYS  18 125.647 -10.109   1.401
  139    H    GLY  19           H        GLY  19 122.995  -4.023  -0.663
  140    HA2  GLY  19           HA2      GLY  19 123.209  -2.680  -3.214
  141    HA3  GLY  19           HA3      GLY  19 124.242  -2.431  -1.813
  142    HA   PRO  20           HA       PRO  20 126.528  -4.872  -5.198
  143    HB2  PRO  20           HB2      PRO  20 127.884  -2.936  -6.566
  144    HB3  PRO  20           HB3      PRO  20 126.194  -3.388  -6.942
  145    HG2  PRO  20           HG2      PRO  20 127.157  -1.078  -5.221
  146    HG3  PRO  20           HG3      PRO  20 125.968  -1.036  -6.563
  147    HD2  PRO  20           HD2      PRO  20 125.173  -1.209  -3.959
  148    HD3  PRO  20           HD3      PRO  20 124.309  -2.079  -5.257
  149    H    LYS  21           H        LYS  21 128.659  -5.532  -5.033
  150    HA   LYS  21           HA       LYS  21 130.194  -4.902  -2.681
  151    HB2  LYS  21           HB2      LYS  21 130.169  -7.126  -3.821
  152    HB3  LYS  21           HB3      LYS  21 130.896  -6.406  -5.255
  153    HG2  LYS  21           HG2      LYS  21 132.969  -5.975  -4.099
  154    HG3  LYS  21           HG3      LYS  21 132.274  -6.444  -2.538
  155    HD2  LYS  21           HD2      LYS  21 132.031  -8.737  -3.232
  156    HD3  LYS  21           HD3      LYS  21 132.474  -8.365  -4.902
  157    HE2  LYS  21           HE2      LYS  21 134.347  -7.930  -2.528
  158    HE3  LYS  21           HE3      LYS  21 134.273  -9.445  -3.433
  159    HZ1  LYS  21           HZ1      LYS  21 134.970  -6.814  -4.638
  160    HZ2  LYS  21           HZ2      LYS  21 136.029  -8.025  -4.302
  161    HZ3  LYS  21           HZ3      LYS  21 134.884  -8.239  -5.446
  162    H    GLY  22           H        GLY  22 132.095  -3.831  -2.368
  163    HA2  GLY  22           HA2      GLY  22 132.498  -1.449  -3.976
  164    HA3  GLY  22           HA3      GLY  22 133.391  -1.897  -2.530
  165    HA   PRO  23           HA       PRO  23 135.996  -2.606  -6.457
  166    HB2  PRO  23           HB2      PRO  23 137.375  -0.271  -6.763
  167    HB3  PRO  23           HB3      PRO  23 135.718  -0.502  -7.398
  168    HG2  PRO  23           HG2      PRO  23 136.534   0.787  -4.772
  169    HG3  PRO  23           HG3      PRO  23 135.445   1.453  -6.033
  170    HD2  PRO  23           HD2      PRO  23 134.453   0.160  -3.856
  171    HD3  PRO  23           HD3      PRO  23 133.716  -0.050  -5.468
  172    H    LYS  24           H        LYS  24 138.252  -2.963  -6.582
  173    HA   LYS  24           HA       LYS  24 139.647  -3.678  -4.180
  174    HB2  LYS  24           HB2      LYS  24 139.926  -4.769  -6.412
  175    HB3  LYS  24           HB3      LYS  24 140.589  -3.269  -7.061
  176    HG2  LYS  24           HG2      LYS  24 142.548  -3.445  -5.617
  177    HG3  LYS  24           HG3      LYS  24 141.890  -4.887  -4.824
  178    HD2  LYS  24           HD2      LYS  24 142.011  -6.138  -6.925
  179    HD3  LYS  24           HD3      LYS  24 142.479  -4.668  -7.812
  180    HE2  LYS  24           HE2      LYS  24 144.538  -4.495  -6.421
  181    HE3  LYS  24           HE3      LYS  24 144.097  -5.996  -5.588
  182    HZ1  LYS  24           HZ1      LYS  24 144.645  -5.755  -8.507
  183    HZ2  LYS  24           HZ2      LYS  24 145.672  -6.390  -7.400
  184    HZ3  LYS  24           HZ3      LYS  24 144.256  -7.149  -7.735
  185    H    GLY  25           H        GLY  25 141.387  -2.807  -3.125
  186    HA2  GLY  25           HA2      GLY  25 141.649   0.099  -3.108
  187    HA3  GLY  25           HA3      GLY  25 142.502  -1.042  -2.081
  188    HA   PRO  26           HA       PRO  26 145.330   0.692  -5.490
  189    HB2  PRO  26           HB2      PRO  26 146.697   2.671  -4.200
  190    HB3  PRO  26           HB3      PRO  26 145.082   2.933  -4.926
  191    HG2  PRO  26           HG2      PRO  26 145.737   2.279  -2.038
  192    HG3  PRO  26           HG3      PRO  26 144.707   3.613  -2.654
  193    HD2  PRO  26           HD2      PRO  26 143.623   1.263  -1.808
  194    HD3  PRO  26           HD3      PRO  26 142.963   2.125  -3.227
  195    H    LYS  27           H        LYS  27 147.636   0.424  -5.672
  196    HA   LYS  27           HA       LYS  27 148.786  -1.728  -4.207
  197    HB2  LYS  27           HB2      LYS  27 149.372  -0.977  -6.544
  198    HB3  LYS  27           HB3      LYS  27 150.219   0.408  -5.837
  199    HG2  LYS  27           HG2      LYS  27 151.670  -1.218  -4.579
  200    HG3  LYS  27           HG3      LYS  27 150.853  -2.551  -5.381
  201    HD2  LYS  27           HD2      LYS  27 152.913  -2.206  -6.528
  202    HD3  LYS  27           HD3      LYS  27 151.649  -1.566  -7.596
  203    HE2  LYS  27           HE2      LYS  27 152.131   0.735  -6.746
  204    HE3  LYS  27           HE3      LYS  27 153.373   0.075  -5.668
  205    HZ1  LYS  27           HZ1      LYS  27 153.486  -0.203  -8.632
  206    HZ2  LYS  27           HZ2      LYS  27 154.230   1.000  -7.817
  207    HZ3  LYS  27           HZ3      LYS  27 154.694  -0.539  -7.560
  208    H    GLY  28           H        GLY  28 150.274  -1.867  -2.581
  209    HA2  GLY  28           HA2      GLY  28 150.292   0.129  -0.531
  210    HA3  GLY  28           HA3      GLY  28 151.270  -1.335  -0.567
  211    HA   PRO  29           HA       PRO  29 153.847   2.599  -1.260
  212    HB2  PRO  29           HB2      PRO  29 154.931   3.032   1.226
  213    HB3  PRO  29           HB3      PRO  29 153.336   3.663   0.719
  214    HG2  PRO  29           HG2      PRO  29 153.929   1.159   2.311
  215    HG3  PRO  29           HG3      PRO  29 152.727   2.437   2.672
  216    HD2  PRO  29           HD2      PRO  29 152.030   0.112   1.424
  217    HD3  PRO  29           HD3      PRO  29 151.265   1.671   0.994
  218    H    LYS  30           H        LYS  30 156.069   2.714  -1.520
  219    HA   LYS  30           HA       LYS  30 157.626   0.172  -1.137
  220    HB2  LYS  30           HB2      LYS  30 158.592   0.536  -3.312
  221    HB3  LYS  30           HB3      LYS  30 156.834   0.548  -3.441
  222    HG2  LYS  30           HG2      LYS  30 156.830   3.023  -3.526
  223    HG3  LYS  30           HG3      LYS  30 158.585   3.058  -3.357
  224    HD2  LYS  30           HD2      LYS  30 157.100   1.760  -5.683
  225    HD3  LYS  30           HD3      LYS  30 157.748   3.408  -5.678
  226    HE2  LYS  30           HE2      LYS  30 160.038   2.473  -5.214
  227    HE3  LYS  30           HE3      LYS  30 159.376   0.842  -5.387
  228    HZ1  LYS  30           HZ1      LYS  30 160.346   1.618  -7.472
  229    HZ2  LYS  30           HZ2      LYS  30 158.734   1.441  -7.684
  230    HZ3  LYS  30           HZ3      LYS  30 159.384   2.933  -7.507
  231    H    GLY  31           H        GLY  31 157.656   3.322  -0.071
  232    HA2  GLY  31           HA2      GLY  31 160.266   3.266   1.059
  233    HA3  GLY  31           HA3      GLY  31 160.330   4.196  -0.441
  234    HN1  NH2  32           HN1      NH2  32 161.024   5.741   1.498
  235    HN2  NH2  32           HN2      NH2  32 159.723   6.749   2.101
  236    H1   ACE  33           H1       ACE  33  75.162   3.247   1.318
  237    H2   ACE  33           H2       ACE  33  74.121   1.807   1.304
  238    H3   ACE  33           H3       ACE  33  75.770   1.702   1.958
  239    H    ASP  34           H        ASP  34  74.056   2.692  -1.011
  240    HA   ASP  34           HA       ASP  34  75.354   0.782  -2.666
  241    HB2  ASP  34           HB2      ASP  34  73.751   3.255  -3.394
  242    HB3  ASP  34           HB3      ASP  34  74.305   2.050  -4.551
  243    HA   HYP  35           HA       HYP  35  78.354   3.961  -4.447
  244    HB2  HYP  35           HB2      HYP  35  78.628   6.503  -3.592
  245    HB3  HYP  35           HB3      HYP  35  77.234   5.995  -4.589
  246    HG   HYP  35           HG       HYP  35  77.344   6.376  -1.577
  247   HD22  HYP  35          HD22      HYP  35  75.961   4.588  -1.225
  248   HD23  HYP  35          HD23      HYP  35  75.064   4.856  -2.745
  249    HD1  HYP  35           HD1      HYP  35  76.381   8.012  -2.910
  250    H    GLY  36           H        GLY  36  80.642   4.376  -4.024
  251    HA2  GLY  36           HA2      GLY  36  81.577   4.802  -1.298
  252    HA3  GLY  36           HA3      GLY  36  81.966   3.194  -1.877
  253    H    ASP  37           H        ASP  37  83.729   5.219  -1.096
  254    HA   ASP  37           HA       ASP  37  85.297   6.048  -3.430
  255    HB2  ASP  37           HB2      ASP  37  85.335   6.656  -0.488
  256    HB3  ASP  37           HB3      ASP  37  86.762   6.918  -1.476
  257    HA   HYP  38           HA       HYP  38  88.237   2.554  -3.049
  258    HB2  HYP  38           HB2      HYP  38  90.172   4.642  -4.008
  259    HB3  HYP  38           HB3      HYP  38  89.949   2.970  -4.588
  260    HG   HYP  38           HG       HYP  38  89.018   5.131  -5.974
  261   HD22  HYP  38          HD22      HYP  38  87.730   6.185  -4.313
  262   HD23  HYP  38          HD23      HYP  38  86.468   5.134  -5.019
  263    HD1  HYP  38           HD1      HYP  38  87.416   3.756  -6.813
  264    H    GLY  39           H        GLY  39  90.111   2.003  -1.795
  265    HA2  GLY  39           HA2      GLY  39  90.699   3.702   0.552
  266    HA3  GLY  39           HA3      GLY  39  91.231   2.050   0.271
  267    H    ASP  40           H        ASP  40  92.961   3.897   1.330
  268    HA   ASP  40           HA       ASP  40  94.580   5.202  -0.680
  269    HB2  ASP  40           HB2      ASP  40  94.689   4.859   2.333
  270    HB3  ASP  40           HB3      ASP  40  96.029   5.577   1.458
  271    HA   HYP  41           HA       HYP  41  97.669   2.053  -1.366
  272    HB2  HYP  41           HB2      HYP  41  99.965   3.738  -1.588
  273    HB3  HYP  41           HB3      HYP  41  98.913   3.136  -2.885
  274    HG   HYP  41           HG       HYP  41  99.011   5.814  -1.616
  275   HD22  HYP  41          HD22      HYP  41  96.876   5.978  -0.882
  276   HD23  HYP  41          HD23      HYP  41  96.225   5.139  -2.319
  277    HD1  HYP  41           HD1      HYP  41  98.204   6.388  -3.634
  278    H    GLY  42           H        GLY  42  99.421   0.969  -0.370
  279    HA2  GLY  42           HA2      GLY  42  99.894   1.475   2.465
  280    HA3  GLY  42           HA3      GLY  42 100.612   0.209   1.481
  281    H    ASP  43           H        ASP  43 102.099   1.451   3.403
  282    HA   ASP  43           HA       ASP  43 103.662   3.661   2.476
  283    HB2  ASP  43           HB2      ASP  43 103.930   1.644   4.735
  284    HB3  ASP  43           HB3      ASP  43 105.069   2.958   4.482
  285    HA   HYP  44           HA       HYP  44 106.823   1.527   0.081
  286    HB2  HYP  44           HB2      HYP  44 108.823   3.379   1.305
  287    HB3  HYP  44           HB3      HYP  44 108.485   3.067  -0.418
  288    HG   HYP  44           HG       HYP  44 107.686   5.362   0.890
  289   HD22  HYP  44          HD22      HYP  44 106.350   4.463   2.580
  290   HD23  HYP  44          HD23      HYP  44 105.109   4.603   1.301
  291    HD1  HYP  44           HD1      HYP  44 107.221   5.085  -1.291
  292    H    GLY  45           H        GLY  45 108.415  -0.043   0.338
  293    HA2  GLY  45           HA2      GLY  45 108.925  -1.189   2.949
  294    HA3  GLY  45           HA3      GLY  45 109.685  -1.645   1.434
  295    H    ASP  46           H        ASP  46 111.108  -1.598   3.844
  296    HA   ASP  46           HA       ASP  46 112.647   0.825   4.129
  297    HB2  ASP  46           HB2      ASP  46 112.793  -1.993   5.233
  298    HB3  ASP  46           HB3      ASP  46 114.101  -0.855   5.495
  299    HA   HYP  47           HA       HYP  47 115.882   0.242   1.086
  300    HB2  HYP  47           HB2      HYP  47 117.833   0.841   3.290
  301    HB3  HYP  47           HB3      HYP  47 117.714   1.572   1.667
  302    HG   HYP  47           HG       HYP  47 116.836   2.841   3.942
  303   HD22  HYP  47          HD22      HYP  47 115.298   1.303   4.777
  304   HD23  HYP  47          HD23      HYP  47 114.202   2.183   3.674
  305    HD1  HYP  47           HD1      HYP  47 116.601   3.822   1.935
  306    H    GLY  48           H        GLY  48 117.395  -1.276   0.391
  307    HA2  GLY  48           HA2      GLY  48 117.686  -3.800   1.762
  308    HA3  GLY  48           HA3      GLY  48 118.540  -3.284   0.329
  309    H    ASP  49           H        ASP  49 119.727  -4.876   2.213
  310    HA   ASP  49           HA       ASP  49 121.281  -3.457   4.149
  311    HB2  ASP  49           HB2      ASP  49 121.460  -6.222   2.890
  312    HB3  ASP  49           HB3      ASP  49 122.505  -5.671   4.189
  313    HA   HYP  50           HA       HYP  50 124.692  -1.882   1.746
  314    HB2  HYP  50           HB2      HYP  50 126.536  -3.085   3.781
  315    HB3  HYP  50           HB3      HYP  50 126.480  -1.412   3.164
  316    HG   HYP  50           HG       HYP  50 125.498  -2.133   5.632
  317   HD22  HYP  50          HD22      HYP  50 123.915  -3.744   5.071
  318   HD23  HYP  50          HD23      HYP  50 122.879  -2.302   4.870
  319    HD1  HYP  50           HD1      HYP  50 125.364   0.000   4.889
  320    H    GLY  51           H        GLY  51 126.177  -2.475   0.199
  321    HA2  GLY  51           HA2      GLY  51 126.607  -5.273  -0.500
  322    HA3  GLY  51           HA3      GLY  51 127.393  -3.876  -1.217
  323    H    ASP  52           H        ASP  52 128.763  -6.257  -0.691
  324    HA   ASP  52           HA       ASP  52 130.167  -6.188   1.796
  325    HB2  ASP  52           HB2      ASP  52 130.459  -7.691  -0.809
  326    HB3  ASP  52           HB3      ASP  52 131.686  -7.808   0.431
  327    HA   HYP  53           HA       HYP  53 133.521  -3.318   0.953
  328    HB2  HYP  53           HB2      HYP  53 135.277  -5.279   2.386
  329    HB3  HYP  53           HB3      HYP  53 135.075  -3.529   2.674
  330    HG   HYP  53           HG       HYP  53 133.962  -5.453   4.299
  331   HD22  HYP  53          HD22      HYP  53 132.662  -6.640   2.767
  332   HD23  HYP  53          HD23      HYP  53 131.471  -5.383   3.209
  333    HD1  HYP  53           HD1      HYP  53 133.627  -3.268   4.729
  334    H    GLY  54           H        GLY  54 135.283  -3.061  -0.410
  335    HA2  GLY  54           HA2      GLY  54 135.750  -5.064  -2.461
  336    HA3  GLY  54           HA3      GLY  54 136.542  -3.501  -2.304
  337    H    ASP  55           H        ASP  55 137.949  -5.669  -3.183
  338    HA   ASP  55           HA       ASP  55 139.308  -7.145  -1.161
  339    HB2  ASP  55           HB2      ASP  55 139.803  -6.611  -4.112
  340    HB3  ASP  55           HB3      ASP  55 140.820  -7.669  -3.144
  341    HA   HYP  56           HA       HYP  56 142.660  -4.305  -0.004
  342    HB2  HYP  56           HB2      HYP  56 144.327  -6.804  -0.008
  343    HB3  HYP  56           HB3      HYP  56 144.208  -5.540   1.244
  344    HG   HYP  56           HG       HYP  56 142.987  -7.980   1.485
  345   HD22  HYP  56          HD22      HYP  56 141.682  -8.036  -0.456
  346   HD23  HYP  56          HD23      HYP  56 140.513  -7.209   0.614
  347    HD1  HYP  56           HD1      HYP  56 141.503  -6.968   2.853
  348    H    GLY  57           H        GLY  57 144.313  -3.240  -1.076
  349    HA2  GLY  57           HA2      GLY  57 144.945  -3.809  -3.838
  350    HA3  GLY  57           HA3      GLY  57 145.768  -2.665  -2.786
  351    H    ASP  58           H        ASP  58 147.188  -4.156  -4.673
  352    HA   ASP  58           HA       ASP  58 148.409  -6.488  -3.479
  353    HB2  ASP  58           HB2      ASP  58 148.912  -4.771  -5.924
  354    HB3  ASP  58           HB3      ASP  58 150.076  -5.984  -5.428
  355    HA   HYP  59           HA       HYP  59 151.600  -4.702  -0.962
  356    HB2  HYP  59           HB2      HYP  59 153.598  -6.478  -2.318
  357    HB3  HYP  59           HB3      HYP  59 153.251  -6.302  -0.579
  358    HG   HYP  59           HG       HYP  59 152.414  -8.456  -2.086
  359   HD22  HYP  59          HD22      HYP  59 151.103  -7.426  -3.702
  360   HD23  HYP  59          HD23      HYP  59 149.853  -7.578  -2.436
  361    HD1  HYP  59           HD1      HYP  59 151.931  -8.355   0.107
  362    H    GLY  60           H        GLY  60 153.335  -3.213  -0.980
  363    HA2  GLY  60           HA2      GLY  60 154.113  -1.750  -3.318
  364    HA3  GLY  60           HA3      GLY  60 154.937  -1.764  -1.783
  365    H    ASP  61           H        ASP  61 156.283  -1.532  -4.225
  366    HA   ASP  61           HA       ASP  61 157.385  -4.027  -5.118
  367    HB2  ASP  61           HB2      ASP  61 158.189  -1.114  -5.433
  368    HB3  ASP  61           HB3      ASP  61 159.011  -2.453  -6.215
  369    HA   HYP  62           HA       HYP  62 160.615  -4.540  -1.953
  370    HB2  HYP  62           HB2      HYP  62 162.047  -5.796  -4.302
  371    HB3  HYP  62           HB3      HYP  62 161.918  -6.395  -2.625
  372    HG   HYP  62           HG       HYP  62 160.387  -7.426  -4.625
  373   HD22  HYP  62          HD22      HYP  62 159.445  -5.474  -5.516
  374   HD23  HYP  62          HD23      HYP  62 158.195  -5.854  -4.294
  375    HD1  HYP  62           HD1      HYP  62 159.672  -6.758  -1.961
  376    H    GLY  63           H        GLY  63 162.758  -3.885  -1.489
  377    HA2  GLY  63           HA2      GLY  63 164.346  -2.322  -3.410
  378    HA3  GLY  63           HA3      GLY  63 163.621  -1.386  -2.097
  379    HN1  NH2  64           HN1      NH2  64 164.817  -4.744  -1.630
  380    HN2  NH2  64           HN2      NH2  64 166.162  -4.275  -0.613
  381    H1   ACE  65           H1       ACE  65  84.229  -5.633  -8.035
  382    H2   ACE  65           H2       ACE  65  85.020  -4.052  -8.249
  383    H3   ACE  65           H3       ACE  65  83.632  -4.495  -9.264
  384    HA   PRO  66           HA       PRO  66  81.671  -3.778  -4.932
  385    HB2  PRO  66           HB2      PRO  66  83.223  -3.157  -2.754
  386    HB3  PRO  66           HB3      PRO  66  82.935  -4.837  -3.301
  387    HG2  PRO  66           HG2      PRO  66  85.304  -3.051  -3.935
  388    HG3  PRO  66           HG3      PRO  66  85.330  -4.737  -3.321
  389    HD2  PRO  66           HD2      PRO  66  85.602  -4.164  -5.969
  390    HD3  PRO  66           HD3      PRO  66  84.690  -5.605  -5.426
  391    HA   HYP  67           HA       HYP  67  81.260   0.610  -5.223
  392    HB2  HYP  67           HB2      HYP  67  80.909   0.735  -2.220
  393    HB3  HYP  67           HB3      HYP  67  79.940   1.510  -3.504
  394    HG   HYP  67           HG       HYP  67  79.093  -0.764  -2.282
  395   HD22  HYP  67          HD22      HYP  67  80.975  -2.144  -2.535
  396   HD23  HYP  67          HD23      HYP  67  80.124  -2.569  -4.046
  397    HD1  HYP  67           HD1      HYP  67  78.115   0.246  -4.149
  398    H    GLY  68           H        GLY  68  83.208  -0.128  -2.275
  399    HA2  GLY  68           HA2      GLY  68  85.205   1.974  -3.035
  400    HA3  GLY  68           HA3      GLY  68  84.654   1.686  -1.394
  401    HA   PRO  69           HA       PRO  69  87.218  -2.158  -2.744
  402    HB2  PRO  69           HB2      PRO  69  89.141  -1.881  -4.700
  403    HB3  PRO  69           HB3      PRO  69  87.424  -2.252  -5.031
  404    HG2  PRO  69           HG2      PRO  69  88.780   0.464  -5.070
  405    HG3  PRO  69           HG3      PRO  69  87.725  -0.263  -6.326
  406    HD2  PRO  69           HD2      PRO  69  86.746   1.479  -4.495
  407    HD3  PRO  69           HD3      PRO  69  85.785   0.062  -5.011
  408    HA   HYP  70           HA       HYP  70  90.901  -1.398  -0.181
  409    HB2  HYP  70           HB2      HYP  70  92.205  -3.569  -1.793
  410    HB3  HYP  70           HB3      HYP  70  92.115  -3.388  -0.022
  411    HG   HYP  70           HG       HYP  70  90.565  -5.163  -1.426
  412   HD22  HYP  70          HD22      HYP  70  89.425  -3.770  -2.901
  413   HD23  HYP  70          HD23      HYP  70  88.326  -3.597  -1.502
  414    HD1  HYP  70           HD1      HYP  70  89.105  -5.048   0.290
  415    H    GLY  71           H        GLY  71  92.875  -0.337  -0.257
  416    HA2  GLY  71           HA2      GLY  71  93.637   0.946  -2.757
  417    HA3  GLY  71           HA3      GLY  71  94.409   1.152  -1.193
  418    HA   PRO  72           HA       PRO  72  96.939  -1.629  -4.123
  419    HB2  PRO  72           HB2      PRO  72  98.930   0.405  -4.633
  420    HB3  PRO  72           HB3      PRO  72  97.838  -0.404  -5.782
  421    HG2  PRO  72           HG2      PRO  72  97.691   2.315  -4.826
  422    HG3  PRO  72           HG3      PRO  72  96.566   1.467  -5.917
  423    HD2  PRO  72           HD2      PRO  72  96.209   2.133  -3.095
  424    HD3  PRO  72           HD3      PRO  72  95.025   1.523  -4.280
  425    HA   HYP  73           HA       HYP  73  99.987  -2.335  -0.839
  426    HB2  HYP  73           HB2      HYP  73 102.036  -3.488  -2.455
  427    HB3  HYP  73           HB3      HYP  73 100.756  -4.332  -1.559
  428    HG   HYP  73           HG       HYP  73 100.989  -3.832  -4.459
  429   HD22  HYP  73          HD22      HYP  73  99.209  -2.511  -4.803
  430   HD23  HYP  73          HD23      HYP  73  98.166  -3.544  -3.788
  431    HD1  HYP  73           HD1      HYP  73 100.613  -5.906  -3.685
  432    H    GLY  74           H        GLY  74 102.036  -1.494  -0.111
  433    HA2  GLY  74           HA2      GLY  74 102.917   0.973  -1.303
  434    HA3  GLY  74           HA3      GLY  74 103.713   0.105   0.002
  435    HA   PRO  75           HA       PRO  75 105.972  -0.499  -4.162
  436    HB2  PRO  75           HB2      PRO  75 107.890   1.620  -3.749
  437    HB3  PRO  75           HB3      PRO  75 106.738   1.396  -5.089
  438    HG2  PRO  75           HG2      PRO  75 106.607   3.335  -2.974
  439    HG3  PRO  75           HG3      PRO  75 105.381   2.997  -4.223
  440    HD2  PRO  75           HD2      PRO  75 105.348   2.235  -1.390
  441    HD3  PRO  75           HD3      PRO  75 104.034   2.232  -2.593
  442    HA   HYP  76           HA       HYP  76 109.375  -2.656  -2.009
  443    HB2  HYP  76           HB2      HYP  76 110.921  -2.006  -4.499
  444    HB3  HYP  76           HB3      HYP  76 110.767  -3.570  -3.657
  445    HG   HYP  76           HG       HYP  76 109.422  -2.981  -5.983
  446   HD22  HYP  76          HD22      HYP  76 108.229  -1.077  -5.380
  447   HD23  HYP  76          HD23      HYP  76 107.058  -2.301  -4.804
  448    HD1  HYP  76           HD1      HYP  76 109.126  -4.968  -4.966
  449    H    GLY  77           H        GLY  77 111.200  -2.047  -0.817
  450    HA2  GLY  77           HA2      GLY  77 111.904   0.740  -0.595
  451    HA3  GLY  77           HA3      GLY  77 112.779  -0.604   0.128
  452    HA   PRO  78           HA       PRO  78 115.074   1.147  -3.649
  453    HB2  PRO  78           HB2      PRO  78 116.963   2.664  -2.072
  454    HB3  PRO  78           HB3      PRO  78 115.838   3.238  -3.331
  455    HG2  PRO  78           HG2      PRO  78 115.631   3.707  -0.521
  456    HG3  PRO  78           HG3      PRO  78 114.386   4.006  -1.761
  457    HD2  PRO  78           HD2      PRO  78 114.563   1.770   0.174
  458    HD3  PRO  78           HD3      PRO  78 113.149   2.454  -0.673
  459    HA   HYP  79           HA       HYP  79 118.372  -1.899  -3.121
  460    HB2  HYP  79           HB2      HYP  79 120.136   0.076  -4.537
  461    HB3  HYP  79           HB3      HYP  79 119.909  -1.662  -4.867
  462    HG   HYP  79           HG       HYP  79 118.773   0.315  -6.396
  463   HD22  HYP  79          HD22      HYP  79 117.503   1.483  -4.829
  464   HD23  HYP  79          HD23      HYP  79 116.305   0.214  -5.216
  465    HD1  HYP  79           HD1      HYP  79 117.272  -1.224  -7.013
  466    H    GLY  80           H        GLY  80 120.091  -2.276  -1.716
  467    HA2  GLY  80           HA2      GLY  80 120.605  -0.425   0.380
  468    HA3  GLY  80           HA3      GLY  80 121.518  -1.902   0.074
  469    HA   PRO  81           HA       PRO  81 123.976   2.007  -0.930
  470    HB2  PRO  81           HB2      PRO  81 125.659   1.692   1.406
  471    HB3  PRO  81           HB3      PRO  81 124.713   3.110   0.883
  472    HG2  PRO  81           HG2      PRO  81 124.111   1.387   3.065
  473    HG3  PRO  81           HG3      PRO  81 123.000   2.527   2.280
  474    HD2  PRO  81           HD2      PRO  81 123.074  -0.412   1.998
  475    HD3  PRO  81           HD3      PRO  81 121.747   0.744   1.732
  476    HA   HYP  82           HA       HYP  82 127.266  -0.510  -2.784
  477    HB2  HYP  82           HB2      HYP  82 128.925   1.976  -2.493
  478    HB3  HYP  82           HB3      HYP  82 128.703   0.939  -3.925
  479    HG   HYP  82           HG       HYP  82 127.461   3.375  -3.630
  480   HD22  HYP  82          HD22      HYP  82 126.265   3.080  -1.656
  481   HD23  HYP  82          HD23      HYP  82 125.074   2.385  -2.799
  482    HD1  HYP  82           HD1      HYP  82 127.088   2.142  -5.465
  483    H    GLY  83           H        GLY  83 128.995  -1.714  -2.042
  484    HA2  GLY  83           HA2      GLY  83 129.780  -1.632   0.715
  485    HA3  GLY  83           HA3      GLY  83 130.576  -2.542  -0.566
  486    HA   PRO  84           HA       PRO  84 133.002   1.422   0.551
  487    HB2  PRO  84           HB2      PRO  84 134.705   0.181   2.516
  488    HB3  PRO  84           HB3      PRO  84 133.660   1.617   2.678
  489    HG2  PRO  84           HG2      PRO  84 133.220  -0.974   3.822
  490    HG3  PRO  84           HG3      PRO  84 132.069   0.383   3.735
  491    HD2  PRO  84           HD2      PRO  84 132.120  -2.064   2.095
  492    HD3  PRO  84           HD3      PRO  84 130.795  -0.917   2.417
  493    HA   HYP  85           HA       HYP  85 136.279  -0.175  -2.182
  494    HB2  HYP  85           HB2      HYP  85 137.914   2.032  -0.967
  495    HB3  HYP  85           HB3      HYP  85 137.695   1.618  -2.687
  496    HG   HYP  85           HG       HYP  85 136.436   3.744  -1.502
  497   HD22  HYP  85          HD22      HYP  85 135.280   2.700   0.241
  498   HD23  HYP  85          HD23      HYP  85 134.059   2.496  -1.052
  499    HD1  HYP  85           HD1      HYP  85 134.830   3.518  -3.087
  500    H    GLY  86           H        GLY  86 138.113  -1.479  -1.964
  501    HA2  GLY  86           HA2      GLY  86 138.750  -2.553   0.635
  502    HA3  GLY  86           HA3      GLY  86 139.611  -2.880  -0.865
  503    HA   PRO  87           HA       PRO  87 141.939   0.114   2.036
  504    HB2  PRO  87           HB2      PRO  87 143.688  -1.527   3.377
  505    HB3  PRO  87           HB3      PRO  87 142.022  -1.197   3.939
  506    HG2  PRO  87           HG2      PRO  87 143.004  -3.563   2.314
  507    HG3  PRO  87           HG3      PRO  87 142.001  -3.587   3.800
  508    HD2  PRO  87           HD2      PRO  87 140.874  -3.762   1.330
  509    HD3  PRO  87           HD3      PRO  87 140.090  -2.822   2.633
  510    HA   HYP  88           HA       HYP  88 145.598   0.213  -0.691
  511    HB2  HYP  88           HB2      HYP  88 147.077   1.008   1.799
  512    HB3  HYP  88           HB3      HYP  88 147.106   1.772   0.188
  513    HG   HYP  88           HG       HYP  88 145.725   2.837   2.310
  514   HD22  HYP  88          HD22      HYP  88 144.336   1.051   2.886
  515   HD23  HYP  88          HD23      HYP  88 143.277   1.821   1.668
  516    HD1  HYP  88           HD1      HYP  88 145.664   3.807   0.262
  517    H    GLY  89           H        GLY  89 147.296  -1.225  -1.136
  518    HA2  GLY  89           HA2      GLY  89 147.483  -3.693   0.312
  519    HA3  GLY  89           HA3      GLY  89 148.613  -3.138  -0.920
  520    HA   PRO  90           HA       PRO  90 150.410  -2.945   3.469
  521    HB2  PRO  90           HB2      PRO  90 152.041  -5.162   3.537
  522    HB3  PRO  90           HB3      PRO  90 150.313  -5.181   4.002
  523    HG2  PRO  90           HG2      PRO  90 151.536  -5.921   1.334
  524    HG3  PRO  90           HG3      PRO  90 150.345  -6.858   2.297
  525    HD2  PRO  90           HD2      PRO  90 149.571  -5.265   0.228
  526    HD3  PRO  90           HD3      PRO  90 148.587  -5.384   1.718
  527    HA   HYP  91           HA       HYP  91 154.261  -1.076   1.995
  528    HB2  HYP  91           HB2      HYP  91 155.562  -2.358   4.380
  529    HB3  HYP  91           HB3      HYP  91 155.659  -0.664   3.826
  530    HG   HYP  91           HG       HYP  91 154.100  -1.458   5.951
  531   HD22  HYP  91          HD22      HYP  91 152.708  -3.041   4.969
  532   HD23  HYP  91          HD23      HYP  91 151.749  -1.588   4.566
  533    HD1  HYP  91           HD1      HYP  91 154.151   0.700   5.269
  534    H    GLY  92           H        GLY  92 155.932  -1.726   0.660
  535    HA2  GLY  92           HA2      GLY  92 155.813  -4.322  -0.361
  536    HA3  GLY  92           HA3      GLY  92 157.100  -3.172  -0.722
  537    HA   PRO  93           HA       PRO  93 158.505  -6.514   2.458
  538    HB2  PRO  93           HB2      PRO  93 158.719  -8.949   1.185
  539    HB3  PRO  93           HB3      PRO  93 157.251  -8.390   2.039
  540    HG2  PRO  93           HG2      PRO  93 157.835  -8.281  -0.926
  541    HG3  PRO  93           HG3      PRO  93 156.336  -8.813  -0.109
  542    HD2  PRO  93           HD2      PRO  93 156.647  -6.299  -1.152
  543    HD3  PRO  93           HD3      PRO  93 155.669  -6.605   0.316
  544    HA   HYP  94           HA       HYP  94 162.629  -5.810   1.119
  545    HB2  HYP  94           HB2      HYP  94 163.391  -8.504   2.252
  546    HB3  HYP  94           HB3      HYP  94 164.191  -6.923   2.484
  547    HG   HYP  94           HG       HYP  94 162.550  -7.954   4.382
  548   HD22  HYP  94          HD22      HYP  94 160.653  -8.469   3.091
  549   HD23  HYP  94          HD23      HYP  94 160.217  -6.813   3.595
  550    HD1  HYP  94           HD1      HYP  94 161.985  -5.817   4.938
  551    H    GLY  95           H        GLY  95 161.374  -8.971   0.118
  552    HA2  GLY  95           HA2      GLY  95 162.585  -8.824  -2.523
  553    HA3  GLY  95           HA3      GLY  95 163.401  -9.986  -1.470
  554    HN1  NH2  96           HN1      NH2  96 159.872  -9.195  -1.824
  555    HN2  NH2  96           HN2      NH2  96 159.406 -10.850  -2.168
  Start of MODEL   15
    1    H1   ACE   1           H1       ACE   1  74.165  -0.751  -2.187
    2    H2   ACE   1           H2       ACE   1  73.897  -0.074  -0.562
    3    H3   ACE   1           H3       ACE   1  75.491  -0.720  -1.004
    4    HA   PRO   2           HA       PRO   2  74.805   3.286  -3.740
    5    HB2  PRO   2           HB2      PRO   2  72.703   4.633  -2.043
    6    HB3  PRO   2           HB3      PRO   2  72.952   4.720  -3.816
    7    HG2  PRO   2           HG2      PRO   2  71.008   3.135  -2.801
    8    HG3  PRO   2           HG3      PRO   2  72.056   2.523  -4.123
    9    HD2  PRO   2           HD2      PRO   2  72.280   1.985  -1.151
   10    HD3  PRO   2           HD3      PRO   2  72.388   0.837  -2.520
   11    H    LYS   3           H        LYS   3  74.738   3.351  -0.227
   12    HA   LYS   3           HA       LYS   3  77.099   5.159  -0.192
   13    HB2  LYS   3           HB2      LYS   3  74.585   5.486   1.507
   14    HB3  LYS   3           HB3      LYS   3  76.164   6.093   2.017
   15    HG2  LYS   3           HG2      LYS   3  76.330   7.493  -0.004
   16    HG3  LYS   3           HG3      LYS   3  74.769   6.887  -0.571
   17    HD2  LYS   3           HD2      LYS   3  74.541   9.104   0.401
   18    HD3  LYS   3           HD3      LYS   3  73.619   7.914   1.329
   19    HE2  LYS   3           HE2      LYS   3  75.309   7.873   3.085
   20    HE3  LYS   3           HE3      LYS   3  76.409   8.871   2.116
   21    HZ1  LYS   3           HZ1      LYS   3  73.770   9.787   3.149
   22    HZ2  LYS   3           HZ2      LYS   3  75.215  10.193   3.791
   23    HZ3  LYS   3           HZ3      LYS   3  74.821  10.702   2.292
   24    H    GLY   4           H        GLY   4  78.594   4.700   1.308
   25    HA2  GLY   4           HA2      GLY   4  78.316   2.996   3.584
   26    HA3  GLY   4           HA3      GLY   4  79.005   2.090   2.228
   27    HA   PRO   5           HA       PRO   5  81.719   4.861   4.972
   28    HB2  PRO   5           HB2      PRO   5  83.560   3.018   5.950
   29    HB3  PRO   5           HB3      PRO   5  81.994   3.444   6.703
   30    HG2  PRO   5           HG2      PRO   5  82.638   1.104   4.898
   31    HG3  PRO   5           HG3      PRO   5  81.673   1.113   6.409
   32    HD2  PRO   5           HD2      PRO   5  80.493   1.138   3.968
   33    HD3  PRO   5           HD3      PRO   5  79.816   2.096   5.322
   34    H    LYS   6           H        LYS   6  83.708   5.880   4.688
   35    HA   LYS   6           HA       LYS   6  85.283   5.548   2.290
   36    HB2  LYS   6           HB2      LYS   6  85.288   7.648   3.647
   37    HB3  LYS   6           HB3      LYS   6  86.043   6.770   4.983
   38    HG2  LYS   6           HG2      LYS   6  87.991   6.262   3.480
   39    HG3  LYS   6           HG3      LYS   6  87.272   7.266   2.225
   40    HD2  LYS   6           HD2      LYS   6  87.614   9.254   3.598
   41    HD3  LYS   6           HD3      LYS   6  87.993   8.252   5.008
   42    HE2  LYS   6           HE2      LYS   6  90.100   8.985   4.236
   43    HE3  LYS   6           HE3      LYS   6  89.968   7.288   3.757
   44    HZ1  LYS   6           HZ1      LYS   6  89.520   9.610   1.949
   45    HZ2  LYS   6           HZ2      LYS   6  90.874   8.687   1.989
   46    HZ3  LYS   6           HZ3      LYS   6  89.452   8.030   1.492
   47    H    GLY   7           H        GLY   7  87.186   4.447   1.914
   48    HA2  GLY   7           HA2      GLY   7  87.698   2.051   3.527
   49    HA3  GLY   7           HA3      GLY   7  88.545   2.537   2.069
   50    HA   PRO   8           HA       PRO   8  91.050   3.862   5.934
   51    HB2  PRO   8           HB2      PRO   8  92.402   1.629   6.773
   52    HB3  PRO   8           HB3      PRO   8  90.780   2.080   7.381
   53    HG2  PRO   8           HG2      PRO   8  91.455   0.138   5.147
   54    HG3  PRO   8           HG3      PRO   8  90.387  -0.141   6.564
   55    HD2  PRO   8           HD2      PRO   8  89.346   0.581   4.169
   56    HD3  PRO   8           HD3      PRO   8  88.698   1.268   5.681
   57    H    LYS   9           H        LYS   9  93.354   4.141   5.978
   58    HA   LYS   9           HA       LYS   9  94.721   4.296   3.486
   59    HB2  LYS   9           HB2      LYS   9  95.150   5.605   5.646
   60    HB3  LYS   9           HB3      LYS   9  95.959   4.160   6.265
   61    HG2  LYS   9           HG2      LYS   9  97.453   4.311   4.161
   62    HG3  LYS   9           HG3      LYS   9  96.722   5.880   3.865
   63    HD2  LYS   9           HD2      LYS   9  98.828   6.234   4.937
   64    HD3  LYS   9           HD3      LYS   9  97.575   6.629   6.127
   65    HE2  LYS   9           HE2      LYS   9  97.883   4.460   7.231
   66    HE3  LYS   9           HE3      LYS   9  98.981   3.917   5.955
   67    HZ1  LYS   9           HZ1      LYS   9 100.599   5.557   6.660
   68    HZ2  LYS   9           HZ2      LYS   9  99.560   6.216   7.753
   69    HZ3  LYS   9           HZ3      LYS   9 100.146   4.707   7.974
   70    H    GLY  10           H        GLY  10  96.213   3.002   2.468
   71    HA2  GLY  10           HA2      GLY  10  96.263   0.152   3.004
   72    HA3  GLY  10           HA3      GLY  10  97.184   1.005   1.774
   73    HA   PRO  11           HA       PRO  11  99.892  -0.410   5.406
   74    HB2  PRO  11           HB2      PRO  11 101.079  -2.664   4.435
   75    HB3  PRO  11           HB3      PRO  11  99.432  -2.674   5.135
   76    HG2  PRO  11           HG2      PRO  11 100.196  -2.477   2.199
   77    HG3  PRO  11           HG3      PRO  11  99.041  -3.619   2.960
   78    HD2  PRO  11           HD2      PRO  11  98.191  -1.310   1.790
   79    HD3  PRO  11           HD3      PRO  11  97.435  -1.920   3.293
   80    H    LYS  12           H        LYS  12 102.142  -0.251   5.644
   81    HA   LYS  12           HA       LYS  12 103.642   1.429   3.905
   82    HB2  LYS  12           HB2      LYS  12 103.991   1.142   6.363
   83    HB3  LYS  12           HB3      LYS  12 104.544  -0.509   6.090
   84    HG2  LYS  12           HG2      LYS  12 106.510   0.293   4.873
   85    HG3  LYS  12           HG3      LYS  12 105.933   1.967   4.971
   86    HD2  LYS  12           HD2      LYS  12 106.072   1.872   7.450
   87    HD3  LYS  12           HD3      LYS  12 106.607   0.178   7.351
   88    HE2  LYS  12           HE2      LYS  12 108.582   0.913   6.005
   89    HE3  LYS  12           HE3      LYS  12 108.080   2.600   6.207
   90    HZ1  LYS  12           HZ1      LYS  12 108.688   0.777   8.481
   91    HZ2  LYS  12           HZ2      LYS  12 109.783   1.791   7.831
   92    HZ3  LYS  12           HZ3      LYS  12 108.436   2.396   8.576
   93    H    GLY  13           H        GLY  13 105.226   1.084   2.417
   94    HA2  GLY  13           HA2      GLY  13 105.062  -1.288   0.799
   95    HA3  GLY  13           HA3      GLY  13 106.137   0.084   0.546
   96    HA   PRO  14           HA       PRO  14 108.462  -3.780   2.020
   97    HB2  PRO  14           HB2      PRO  14 109.588  -4.682  -0.304
   98    HB3  PRO  14           HB3      PRO  14 107.917  -5.092   0.191
   99    HG2  PRO  14           HG2      PRO  14 108.808  -2.896  -1.702
  100    HG3  PRO  14           HG3      PRO  14 107.539  -4.132  -1.970
  101    HD2  PRO  14           HD2      PRO  14 106.915  -1.626  -1.100
  102    HD3  PRO  14           HD3      PRO  14 106.045  -3.062  -0.492
  103    H    LYS  15           H        LYS  15 110.651  -3.907   2.485
  104    HA   LYS  15           HA       LYS  15 112.294  -1.567   2.379
  105    HB2  LYS  15           HB2      LYS  15 112.417  -3.377   4.102
  106    HB3  LYS  15           HB3      LYS  15 113.048  -4.485   2.881
  107    HG2  LYS  15           HG2      LYS  15 115.075  -3.139   2.633
  108    HG3  LYS  15           HG3      LYS  15 114.429  -1.896   3.725
  109    HD2  LYS  15           HD2      LYS  15 114.498  -3.428   5.616
  110    HD3  LYS  15           HD3      LYS  15 114.828  -4.797   4.552
  111    HE2  LYS  15           HE2      LYS  15 116.880  -4.295   5.592
  112    HE3  LYS  15           HE3      LYS  15 117.020  -3.770   3.916
  113    HZ1  LYS  15           HZ1      LYS  15 116.469  -1.969   6.224
  114    HZ2  LYS  15           HZ2      LYS  15 117.931  -2.182   5.517
  115    HZ3  LYS  15           HZ3      LYS  15 116.707  -1.468   4.667
  116    H    GLY  16           H        GLY  16 113.976  -0.952   1.100
  117    HA2  GLY  16           HA2      GLY  16 113.982  -1.778  -1.651
  118    HA3  GLY  16           HA3      GLY  16 115.118  -0.660  -0.903
  119    HA   PRO  17           HA       PRO  17 117.251  -4.795  -1.853
  120    HB2  PRO  17           HB2      PRO  17 118.405  -4.371  -4.284
  121    HB3  PRO  17           HB3      PRO  17 116.708  -4.912  -4.107
  122    HG2  PRO  17           HG2      PRO  17 117.724  -2.086  -4.543
  123    HG3  PRO  17           HG3      PRO  17 116.420  -2.940  -5.428
  124    HD2  PRO  17           HD2      PRO  17 115.906  -1.231  -3.348
  125    HD3  PRO  17           HD3      PRO  17 114.913  -2.691  -3.643
  126    H    LYS  18           H        LYS  18 119.478  -5.179  -1.622
  127    HA   LYS  18           HA       LYS  18 121.036  -3.318  -0.186
  128    HB2  LYS  18           HB2      LYS  18 121.164  -5.868  -0.243
  129    HB3  LYS  18           HB3      LYS  18 122.017  -5.713  -1.781
  130    HG2  LYS  18           HG2      LYS  18 123.674  -4.210  -0.465
  131    HG3  LYS  18           HG3      LYS  18 122.888  -4.775   0.991
  132    HD2  LYS  18           HD2      LYS  18 124.909  -6.045   0.599
  133    HD3  LYS  18           HD3      LYS  18 123.520  -7.125   0.371
  134    HE2  LYS  18           HE2      LYS  18 123.709  -6.916  -2.069
  135    HE3  LYS  18           HE3      LYS  18 124.968  -5.682  -1.908
  136    HZ1  LYS  18           HZ1      LYS  18 125.262  -8.502  -0.998
  137    HZ2  LYS  18           HZ2      LYS  18 125.872  -7.904  -2.390
  138    HZ3  LYS  18           HZ3      LYS  18 126.446  -7.360  -0.965
  139    H    GLY  19           H        GLY  19 122.854  -2.075  -0.639
  140    HA2  GLY  19           HA2      GLY  19 123.027  -0.826  -3.259
  141    HA3  GLY  19           HA3      GLY  19 123.999  -0.457  -1.844
  142    HA   PRO  20           HA       PRO  20 126.560  -2.701  -5.124
  143    HB2  PRO  20           HB2      PRO  20 127.946  -0.657  -6.267
  144    HB3  PRO  20           HB3      PRO  20 126.249  -1.017  -6.709
  145    HG2  PRO  20           HG2      PRO  20 127.244   1.038  -4.699
  146    HG3  PRO  20           HG3      PRO  20 126.113   1.298  -6.068
  147    HD2  PRO  20           HD2      PRO  20 125.193   0.831  -3.547
  148    HD3  PRO  20           HD3      PRO  20 124.370   0.146  -4.975
  149    H    LYS  21           H        LYS  21 128.806  -3.193  -5.138
  150    HA   LYS  21           HA       LYS  21 130.226  -3.035  -2.668
  151    HB2  LYS  21           HB2      LYS  21 130.468  -4.842  -4.379
  152    HB3  LYS  21           HB3      LYS  21 131.263  -3.694  -5.464
  153    HG2  LYS  21           HG2      LYS  21 133.108  -3.414  -3.878
  154    HG3  LYS  21           HG3      LYS  21 132.293  -4.447  -2.692
  155    HD2  LYS  21           HD2      LYS  21 132.554  -6.390  -4.145
  156    HD3  LYS  21           HD3      LYS  21 133.207  -5.369  -5.452
  157    HE2  LYS  21           HE2      LYS  21 135.108  -4.710  -4.053
  158    HE3  LYS  21           HE3      LYS  21 134.471  -5.626  -2.679
  159    HZ1  LYS  21           HZ1      LYS  21 135.230  -6.886  -5.266
  160    HZ2  LYS  21           HZ2      LYS  21 136.252  -6.755  -3.999
  161    HZ3  LYS  21           HZ3      LYS  21 134.877  -7.664  -3.861
  162    H    GLY  22           H        GLY  22 131.959  -1.883  -1.950
  163    HA2  GLY  22           HA2      GLY  22 132.295   0.835  -2.891
  164    HA3  GLY  22           HA3      GLY  22 133.168   0.062  -1.573
  165    HA   PRO  23           HA       PRO  23 135.921   0.474  -5.427
  166    HB2  PRO  23           HB2      PRO  23 137.196   2.855  -5.095
  167    HB3  PRO  23           HB3      PRO  23 135.560   2.737  -5.813
  168    HG2  PRO  23           HG2      PRO  23 136.279   3.361  -2.930
  169    HG3  PRO  23           HG3      PRO  23 135.171   4.268  -4.011
  170    HD2  PRO  23           HD2      PRO  23 134.253   2.408  -2.229
  171    HD3  PRO  23           HD3      PRO  23 133.497   2.625  -3.834
  172    H    LYS  24           H        LYS  24 138.186   0.171  -5.518
  173    HA   LYS  24           HA       LYS  24 139.448  -1.083  -3.267
  174    HB2  LYS  24           HB2      LYS  24 139.813  -1.621  -5.680
  175    HB3  LYS  24           HB3      LYS  24 140.598  -0.053  -5.900
  176    HG2  LYS  24           HG2      LYS  24 142.398  -0.717  -4.355
  177    HG3  LYS  24           HG3      LYS  24 141.600  -2.274  -4.057
  178    HD2  LYS  24           HD2      LYS  24 141.917  -2.936  -6.377
  179    HD3  LYS  24           HD3      LYS  24 142.486  -1.307  -6.813
  180    HE2  LYS  24           HE2      LYS  24 144.417  -1.567  -5.274
  181    HE3  LYS  24           HE3      LYS  24 143.886  -3.211  -4.878
  182    HZ1  LYS  24           HZ1      LYS  24 144.641  -2.284  -7.609
  183    HZ2  LYS  24           HZ2      LYS  24 145.611  -3.156  -6.622
  184    HZ3  LYS  24           HZ3      LYS  24 144.225  -3.820  -7.207
  185    H    GLY  25           H        GLY  25 141.169  -0.473  -1.974
  186    HA2  GLY  25           HA2      GLY  25 141.441   2.353  -1.305
  187    HA3  GLY  25           HA3      GLY  25 142.287   1.007  -0.553
  188    HA   PRO  26           HA       PRO  26 145.126   3.413  -3.522
  189    HB2  PRO  26           HB2      PRO  26 146.411   5.191  -1.907
  190    HB3  PRO  26           HB3      PRO  26 144.786   5.516  -2.585
  191    HG2  PRO  26           HG2      PRO  26 145.459   4.387   0.151
  192    HG3  PRO  26           HG3      PRO  26 144.400   5.786  -0.227
  193    HD2  PRO  26           HD2      PRO  26 143.354   3.307   0.176
  194    HD3  PRO  26           HD3      PRO  26 142.699   4.386  -1.086
  195    H    LYS  27           H        LYS  27 147.436   3.247  -3.713
  196    HA   LYS  27           HA       LYS  27 148.690   0.953  -2.568
  197    HB2  LYS  27           HB2      LYS  27 149.343   1.953  -4.764
  198    HB3  LYS  27           HB3      LYS  27 149.847   3.433  -3.959
  199    HG2  LYS  27           HG2      LYS  27 151.725   2.444  -2.956
  200    HG3  LYS  27           HG3      LYS  27 151.157   0.793  -3.237
  201    HD2  LYS  27           HD2      LYS  27 151.816   2.665  -5.541
  202    HD3  LYS  27           HD3      LYS  27 153.071   1.724  -4.715
  203    HE2  LYS  27           HE2      LYS  27 151.944  -0.373  -5.199
  204    HE3  LYS  27           HE3      LYS  27 150.569   0.473  -5.929
  205    HZ1  LYS  27           HZ1      LYS  27 153.349   0.542  -6.997
  206    HZ2  LYS  27           HZ2      LYS  27 152.126  -0.340  -7.623
  207    HZ3  LYS  27           HZ3      LYS  27 152.058   1.289  -7.673
  208    H    GLY  28           H        GLY  28 150.247   0.643  -1.044
  209    HA2  GLY  28           HA2      GLY  28 150.086   2.153   1.361
  210    HA3  GLY  28           HA3      GLY  28 151.245   0.869   1.025
  211    HA   PRO  29           HA       PRO  29 153.269   5.173   1.698
  212    HB2  PRO  29           HB2      PRO  29 154.860   3.807   3.555
  213    HB3  PRO  29           HB3      PRO  29 154.018   5.338   3.763
  214    HG2  PRO  29           HG2      PRO  29 153.167   3.013   5.006
  215    HG3  PRO  29           HG3      PRO  29 152.054   4.317   4.483
  216    HD2  PRO  29           HD2      PRO  29 152.562   1.662   3.206
  217    HD3  PRO  29           HD3      PRO  29 151.080   2.653   3.248
  218    H    LYS  30           H        LYS  30 154.969   5.814   0.526
  219    HA   LYS  30           HA       LYS  30 156.839   3.758  -0.579
  220    HB2  LYS  30           HB2      LYS  30 155.226   5.018  -2.048
  221    HB3  LYS  30           HB3      LYS  30 156.135   6.496  -1.708
  222    HG2  LYS  30           HG2      LYS  30 158.094   5.632  -2.838
  223    HG3  LYS  30           HG3      LYS  30 157.443   3.991  -2.829
  224    HD2  LYS  30           HD2      LYS  30 157.300   4.873  -5.062
  225    HD3  LYS  30           HD3      LYS  30 155.665   4.672  -4.417
  226    HE2  LYS  30           HE2      LYS  30 155.591   7.115  -3.885
  227    HE3  LYS  30           HE3      LYS  30 157.231   7.296  -4.527
  228    HZ1  LYS  30           HZ1      LYS  30 154.867   6.417  -6.110
  229    HZ2  LYS  30           HZ2      LYS  30 155.562   7.892  -6.187
  230    HZ3  LYS  30           HZ3      LYS  30 156.384   6.580  -6.704
  231    H    GLY  31           H        GLY  31 156.913   6.199   1.716
  232    HA2  GLY  31           HA2      GLY  31 159.190   5.791   2.868
  233    HA3  GLY  31           HA3      GLY  31 159.864   6.634   1.471
  234    HN1  NH2  32           HN1      NH2  32 157.463   8.557   1.429
  235    HN2  NH2  32           HN2      NH2  32 157.802   9.659   2.750
  236    H1   ACE  33           H1       ACE  33  79.015   4.356   9.206
  237    H2   ACE  33           H2       ACE  33  80.417   4.387  10.301
  238    H3   ACE  33           H3       ACE  33  78.838   4.986  10.861
  239    H    ASP  34           H        ASP  34  81.061   5.469   8.127
  240    HA   ASP  34           HA       ASP  34  80.497   8.388   8.052
  241    HB2  ASP  34           HB2      ASP  34  82.357   8.095   9.619
  242    HB3  ASP  34           HB3      ASP  34  83.268   7.197   8.405
  243    HA   HYP  35           HA       HYP  35  80.304   6.183   4.019
  244    HB2  HYP  35           HB2      HYP  35  78.722   8.687   3.434
  245    HB3  HYP  35           HB3      HYP  35  78.445   7.022   2.836
  246    HG   HYP  35           HG       HYP  35  77.024   7.983   4.934
  247   HD22  HYP  35          HD22      HYP  35  78.766   8.851   6.261
  248   HD23  HYP  35          HD23      HYP  35  78.652   7.218   6.969
  249    HD1  HYP  35           HD1      HYP  35  77.012   5.856   5.788
  250    H    GLY  36           H        GLY  36  81.687   6.298   2.227
  251    HA2  GLY  36           HA2      GLY  36  82.402   8.644   0.868
  252    HA3  GLY  36           HA3      GLY  36  83.598   8.344   2.136
  253    H    ASP  37           H        ASP  37  84.785   8.568   0.169
  254    HA   ASP  37           HA       ASP  37  84.880   6.822  -2.019
  255    HB2  ASP  37           HB2      ASP  37  86.770   8.839  -0.741
  256    HB3  ASP  37           HB3      ASP  37  87.194   8.038  -2.226
  257    HA   HYP  38           HA       HYP  38  87.895   3.502  -1.242
  258    HB2  HYP  38           HB2      HYP  38  89.605   4.832  -3.314
  259    HB3  HYP  38           HB3      HYP  38  89.157   3.112  -3.171
  260    HG   HYP  38           HG       HYP  38  87.997   4.852  -4.977
  261   HD22  HYP  38          HD22      HYP  38  87.045   6.452  -3.648
  262   HD23  HYP  38          HD23      HYP  38  85.723   5.272  -3.468
  263    HD1  HYP  38           HD1      HYP  38  87.364   2.709  -4.930
  264    H    GLY  39           H        GLY  39  89.829   3.136  -0.123
  265    HA2  GLY  39           HA2      GLY  39  90.796   5.310   1.494
  266    HA3  GLY  39           HA3      GLY  39  91.352   3.647   1.523
  267    H    ASP  40           H        ASP  40  92.990   5.860   1.902
  268    HA   ASP  40           HA       ASP  40  94.322   6.678  -0.517
  269    HB2  ASP  40           HB2      ASP  40  94.704   7.204   2.445
  270    HB3  ASP  40           HB3      ASP  40  95.765   7.881   1.219
  271    HA   HYP  41           HA       HYP  41  97.740   3.807  -0.815
  272    HB2  HYP  41           HB2      HYP  41  99.523   6.213  -1.068
  273    HB3  HYP  41           HB3      HYP  41  99.424   4.777  -2.120
  274    HG   HYP  41           HG       HYP  41  98.328   7.221  -2.773
  275   HD22  HYP  41          HD22      HYP  41  96.817   7.584  -1.059
  276   HD23  HYP  41          HD23      HYP  41  95.765   6.544  -2.059
  277    HD1  HYP  41           HD1      HYP  41  98.158   5.499  -4.195
  278    H    GLY  42           H        GLY  42  99.413   2.891   0.365
  279    HA2  GLY  42           HA2      GLY  42  99.980   3.787   3.076
  280    HA3  GLY  42           HA3      GLY  42 100.673   2.413   2.247
  281    H    ASP  43           H        ASP  43 102.195   3.826   3.946
  282    HA   ASP  43           HA       ASP  43 103.740   5.937   2.796
  283    HB2  ASP  43           HB2      ASP  43 104.098   4.073   5.174
  284    HB3  ASP  43           HB3      ASP  43 105.226   5.363   4.787
  285    HA   HYP  44           HA       HYP  44 106.779   3.626   0.423
  286    HB2  HYP  44           HB2      HYP  44 108.881   5.459   1.490
  287    HB3  HYP  44           HB3      HYP  44 108.456   5.098  -0.204
  288    HG   HYP  44           HG       HYP  44 107.787   7.464   1.050
  289   HD22  HYP  44          HD22      HYP  44 106.516   6.655   2.836
  290   HD23  HYP  44          HD23      HYP  44 105.217   6.814   1.619
  291    HD1  HYP  44           HD1      HYP  44 107.174   7.229  -1.061
  292    H    GLY  45           H        GLY  45 108.292   1.987   0.700
  293    HA2  GLY  45           HA2      GLY  45 108.858   0.952   3.348
  294    HA3  GLY  45           HA3      GLY  45 109.552   0.385   1.837
  295    H    ASP  46           H        ASP  46 111.048   0.513   4.193
  296    HA   ASP  46           HA       ASP  46 112.687   2.887   4.262
  297    HB2  ASP  46           HB2      ASP  46 112.762   0.156   5.559
  298    HB3  ASP  46           HB3      ASP  46 114.139   1.228   5.671
  299    HA   HYP  47           HA       HYP  47 115.734   2.101   1.148
  300    HB2  HYP  47           HB2      HYP  47 117.846   2.590   3.229
  301    HB3  HYP  47           HB3      HYP  47 117.666   3.334   1.617
  302    HG   HYP  47           HG       HYP  47 116.991   4.644   3.931
  303   HD22  HYP  47          HD22      HYP  47 115.473   3.141   4.875
  304   HD23  HYP  47          HD23      HYP  47 114.334   4.093   3.883
  305    HD1  HYP  47           HD1      HYP  47 116.640   5.616   1.927
  306    H    GLY  48           H        GLY  48 117.288   0.618   0.382
  307    HA2  GLY  48           HA2      GLY  48 117.609  -1.952   1.678
  308    HA3  GLY  48           HA3      GLY  48 118.520  -1.341   0.297
  309    H    ASP  49           H        ASP  49 119.712  -2.913   2.280
  310    HA   ASP  49           HA       ASP  49 121.132  -1.248   4.183
  311    HB2  ASP  49           HB2      ASP  49 121.332  -4.149   3.289
  312    HB3  ASP  49           HB3      ASP  49 122.320  -3.450   4.552
  313    HA   HYP  50           HA       HYP  50 124.651  -0.006   1.856
  314    HB2  HYP  50           HB2      HYP  50 126.457  -1.265   3.893
  315    HB3  HYP  50           HB3      HYP  50 126.488   0.391   3.230
  316    HG   HYP  50           HG       HYP  50 125.477  -0.214   5.721
  317   HD22  HYP  50          HD22      HYP  50 123.796  -1.734   5.214
  318   HD23  HYP  50          HD23      HYP  50 122.845  -0.244   4.959
  319    HD1  HYP  50           HD1      HYP  50 125.481   1.901   4.909
  320    H    GLY  51           H        GLY  51 126.030  -0.691   0.284
  321    HA2  GLY  51           HA2      GLY  51 126.374  -3.471  -0.471
  322    HA3  GLY  51           HA3      GLY  51 127.184  -2.084  -1.143
  323    H    ASP  52           H        ASP  52 128.507  -4.406  -0.931
  324    HA   ASP  52           HA       ASP  52 129.773  -4.877   1.551
  325    HB2  ASP  52           HB2      ASP  52 130.233  -5.828  -1.289
  326    HB3  ASP  52           HB3      ASP  52 131.234  -6.366   0.054
  327    HA   HYP  53           HA       HYP  53 133.272  -2.105   1.644
  328    HB2  HYP  53           HB2      HYP  53 134.876  -4.485   2.527
  329    HB3  HYP  53           HB3      HYP  53 134.764  -2.869   3.274
  330    HG   HYP  53           HG       HYP  53 133.467  -5.055   4.294
  331   HD22  HYP  53          HD22      HYP  53 132.219  -5.751   2.440
  332   HD23  HYP  53          HD23      HYP  53 131.050  -4.595   3.137
  333    HD1  HYP  53           HD1      HYP  53 131.943  -3.600   5.146
  334    H    GLY  54           H        GLY  54 134.931  -1.429   0.328
  335    HA2  GLY  54           HA2      GLY  54 135.623  -2.897  -2.076
  336    HA3  GLY  54           HA3      GLY  54 136.331  -1.387  -1.514
  337    H    ASP  55           H        ASP  55 137.869  -3.369  -2.754
  338    HA   ASP  55           HA       ASP  55 139.157  -5.102  -0.874
  339    HB2  ASP  55           HB2      ASP  55 139.643  -4.274  -3.740
  340    HB3  ASP  55           HB3      ASP  55 140.836  -5.222  -2.870
  341    HA   HYP  56           HA       HYP  56 142.413  -2.496   0.839
  342    HB2  HYP  56           HB2      HYP  56 144.176  -4.887   0.379
  343    HB3  HYP  56           HB3      HYP  56 143.971  -3.919   1.861
  344    HG   HYP  56           HG       HYP  56 142.838  -6.399   1.543
  345   HD22  HYP  56          HD22      HYP  56 141.609  -6.085  -0.413
  346   HD23  HYP  56          HD23      HYP  56 140.376  -5.553   0.767
  347    HD1  HYP  56           HD1      HYP  56 142.302  -5.470   3.426
  348    H    GLY  57           H        GLY  57 144.151  -1.246   0.105
  349    HA2  GLY  57           HA2      GLY  57 144.849  -1.206  -2.707
  350    HA3  GLY  57           HA3      GLY  57 145.625  -0.301  -1.415
  351    H    ASP  58           H        ASP  58 147.085  -1.377  -3.546
  352    HA   ASP  58           HA       ASP  58 148.331  -3.877  -2.805
  353    HB2  ASP  58           HB2      ASP  58 148.829  -1.720  -4.873
  354    HB3  ASP  58           HB3      ASP  58 150.014  -2.983  -4.600
  355    HA   HYP  59           HA       HYP  59 151.499  -2.678   0.045
  356    HB2  HYP  59           HB2      HYP  59 153.500  -3.984  -1.770
  357    HB3  HYP  59           HB3      HYP  59 153.253  -4.215  -0.018
  358    HG   HYP  59           HG       HYP  59 152.389  -6.002  -1.931
  359   HD22  HYP  59          HD22      HYP  59 150.911  -4.746  -3.197
  360   HD23  HYP  59          HD23      HYP  59 149.767  -5.139  -1.885
  361    HD1  HYP  59           HD1      HYP  59 150.936  -6.727  -0.383
  362    H    GLY  60           H        GLY  60 152.964  -1.081   0.421
  363    HA2  GLY  60           HA2      GLY  60 153.623   0.923  -1.568
  364    HA3  GLY  60           HA3      GLY  60 154.206   0.823   0.090
  365    H    ASP  61           H        ASP  61 155.949   1.742  -1.657
  366    HA   ASP  61           HA       ASP  61 157.909  -0.468  -2.172
  367    HB2  ASP  61           HB2      ASP  61 156.390   0.692  -4.216
  368    HB3  ASP  61           HB3      ASP  61 157.463   2.011  -3.947
  369    HA   HYP  62           HA       HYP  62 160.208   2.938   0.085
  370    HB2  HYP  62           HB2      HYP  62 160.712   1.705   2.450
  371    HB3  HYP  62           HB3      HYP  62 159.177   2.563   2.127
  372    HG   HYP  62           HG       HYP  62 159.729  -0.421   1.969
  373   HD22  HYP  62          HD22      HYP  62 158.325  -0.649   0.166
  374   HD23  HYP  62          HD23      HYP  62 157.276   0.706   0.696
  375    HD1  HYP  62           HD1      HYP  62 158.623   0.344   3.813
  376    H    GLY  63           H        GLY  63 162.493   2.693   0.903
  377    HA2  GLY  63           HA2      GLY  63 163.964   0.492  -0.522
  378    HA3  GLY  63           HA3      GLY  63 164.409   2.193  -0.600
  379    HN1  NH2  64           HN1      NH2  64 163.397   1.034   2.561
  380    HN2  NH2  64           HN2      NH2  64 165.011   0.904   3.231
  381    H1   ACE  65           H1       ACE  65  80.080   7.662  -5.400
  382    H2   ACE  65           H2       ACE  65  81.798   7.210  -5.330
  383    H3   ACE  65           H3       ACE  65  80.800   6.719  -6.721
  384    HA   PRO  66           HA       PRO  66  79.870   2.957  -4.536
  385    HB2  PRO  66           HB2      PRO  66  82.085   1.354  -4.713
  386    HB3  PRO  66           HB3      PRO  66  81.103   1.811  -6.138
  387    HG2  PRO  66           HG2      PRO  66  83.664   3.109  -5.149
  388    HG3  PRO  66           HG3      PRO  66  83.273   2.565  -6.813
  389    HD2  PRO  66           HD2      PRO  66  82.969   5.161  -6.026
  390    HD3  PRO  66           HD3      PRO  66  81.825   4.394  -7.169
  391    HA   HYP  67           HA       HYP  67  81.353   2.989  -0.212
  392    HB2  HYP  67           HB2      HYP  67  81.377  -0.011  -0.436
  393    HB3  HYP  67           HB3      HYP  67  80.633   1.012   0.818
  394    HG   HYP  67           HG       HYP  67  79.160  -0.220  -1.137
  395   HD22  HYP  67          HD22      HYP  67  80.222   0.595  -3.062
  396   HD23  HYP  67          HD23      HYP  67  79.000   1.882  -2.858
  397    HD1  HYP  67           HD1      HYP  67  77.679   1.526  -0.990
  398    H    GLY  68           H        GLY  68  83.484   3.269   0.456
  399    HA2  GLY  68           HA2      GLY  68  85.552   2.665  -1.407
  400    HA3  GLY  68           HA3      GLY  68  85.733   3.417   0.159
  401    HA   PRO  69           HA       PRO  69  87.257  -1.071   0.715
  402    HB2  PRO  69           HB2      PRO  69  88.980  -1.881  -1.218
  403    HB3  PRO  69           HB3      PRO  69  87.210  -2.074  -1.404
  404    HG2  PRO  69           HG2      PRO  69  88.971   0.148  -2.495
  405    HG3  PRO  69           HG3      PRO  69  87.767  -0.842  -3.381
  406    HD2  PRO  69           HD2      PRO  69  87.206   1.633  -2.339
  407    HD3  PRO  69           HD3      PRO  69  85.973   0.344  -2.450
  408    HA   HYP  70           HA       HYP  70  91.142   0.506   2.431
  409    HB2  HYP  70           HB2      HYP  70  92.434  -2.048   1.546
  410    HB3  HYP  70           HB3      HYP  70  92.486  -1.263   3.144
  411    HG   HYP  70           HG       HYP  70  90.921  -3.455   2.584
  412   HD22  HYP  70          HD22      HYP  70  89.535  -2.690   0.886
  413   HD23  HYP  70          HD23      HYP  70  88.586  -2.019   2.238
  414    HD1  HYP  70           HD1      HYP  70  89.676  -2.831   4.336
  415    H    GLY  71           H        GLY  71  93.015   1.540   1.814
  416    HA2  GLY  71           HA2      GLY  71  93.426   2.064  -0.987
  417    HA3  GLY  71           HA3      GLY  71  94.419   2.644   0.343
  418    HA   PRO  72           HA       PRO  72  96.562  -0.750  -2.203
  419    HB2  PRO  72           HB2      PRO  72  98.214   0.714  -3.842
  420    HB3  PRO  72           HB3      PRO  72  96.506   0.353  -4.239
  421    HG2  PRO  72           HG2      PRO  72  97.641   2.850  -2.952
  422    HG3  PRO  72           HG3      PRO  72  96.536   2.745  -4.362
  423    HD2  PRO  72           HD2      PRO  72  95.597   3.204  -1.849
  424    HD3  PRO  72           HD3      PRO  72  94.699   2.166  -2.997
  425    HA   HYP  73           HA       HYP  73 100.177  -0.671   0.413
  426    HB2  HYP  73           HB2      HYP  73 102.129  -1.786  -1.343
  427    HB3  HYP  73           HB3      HYP  73 101.085  -2.646  -0.191
  428    HG   HYP  73           HG       HYP  73 100.880  -2.468  -3.134
  429   HD22  HYP  73          HD22      HYP  73  98.927  -1.405  -3.355
  430   HD23  HYP  73          HD23      HYP  73  98.153  -2.403  -2.096
  431    HD1  HYP  73           HD1      HYP  73 100.837  -4.476  -2.189
  432    H    GLY  74           H        GLY  74 102.084   0.548   0.814
  433    HA2  GLY  74           HA2      GLY  74 102.549   2.876  -0.811
  434    HA3  GLY  74           HA3      GLY  74 103.545   2.339   0.536
  435    HA   PRO  75           HA       PRO  75 105.627   1.604  -3.648
  436    HB2  PRO  75           HB2      PRO  75 107.473   3.808  -3.193
  437    HB3  PRO  75           HB3      PRO  75 106.451   3.474  -4.616
  438    HG2  PRO  75           HG2      PRO  75 106.020   5.522  -2.712
  439    HG3  PRO  75           HG3      PRO  75 104.789   4.831  -3.797
  440    HD2  PRO  75           HD2      PRO  75 105.160   4.312  -0.898
  441    HD3  PRO  75           HD3      PRO  75 103.694   4.258  -1.908
  442    HA   HYP  76           HA       HYP  76 109.106  -0.617  -1.754
  443    HB2  HYP  76           HB2      HYP  76 110.556   0.073  -4.292
  444    HB3  HYP  76           HB3      HYP  76 110.408  -1.509  -3.486
  445    HG   HYP  76           HG       HYP  76 108.974  -0.831  -5.732
  446   HD22  HYP  76          HD22      HYP  76 107.840   1.075  -5.025
  447   HD23  HYP  76          HD23      HYP  76 106.685  -0.157  -4.434
  448    HD1  HYP  76           HD1      HYP  76 108.682  -2.840  -4.766
  449    H    GLY  77           H        GLY  77 110.982  -0.105  -0.631
  450    HA2  GLY  77           HA2      GLY  77 111.917   2.631  -0.443
  451    HA3  GLY  77           HA3      GLY  77 112.705   1.208   0.235
  452    HA   PRO  78           HA       PRO  78 114.833   2.726  -3.762
  453    HB2  PRO  78           HB2      PRO  78 116.785   4.443  -2.883
  454    HB3  PRO  78           HB3      PRO  78 115.109   4.961  -3.238
  455    HG2  PRO  78           HG2      PRO  78 116.301   4.228  -0.545
  456    HG3  PRO  78           HG3      PRO  78 115.349   5.688  -0.971
  457    HD2  PRO  78           HD2      PRO  78 114.189   3.513   0.193
  458    HD3  PRO  78           HD3      PRO  78 113.334   4.464  -1.056
  459    HA   HYP  79           HA       HYP  79 118.314  -0.130  -3.304
  460    HB2  HYP  79           HB2      HYP  79 119.927   1.914  -4.796
  461    HB3  HYP  79           HB3      HYP  79 119.799   0.158  -5.085
  462    HG   HYP  79           HG       HYP  79 118.490   2.027  -6.624
  463   HD22  HYP  79          HD22      HYP  79 117.220   3.163  -5.037
  464   HD23  HYP  79          HD23      HYP  79 116.072   1.830  -5.350
  465    HD1  HYP  79           HD1      HYP  79 118.276  -0.217  -6.963
  466    H    GLY  80           H        GLY  80 119.952  -0.433  -1.858
  467    HA2  GLY  80           HA2      GLY  80 120.332   1.440   0.222
  468    HA3  GLY  80           HA3      GLY  80 121.268  -0.037   0.000
  469    HA   PRO  81           HA       PRO  81 123.881   3.824  -0.734
  470    HB2  PRO  81           HB2      PRO  81 125.319   3.276   1.750
  471    HB3  PRO  81           HB3      PRO  81 124.587   4.803   1.190
  472    HG2  PRO  81           HG2      PRO  81 123.555   3.191   3.249
  473    HG3  PRO  81           HG3      PRO  81 122.597   4.301   2.246
  474    HD2  PRO  81           HD2      PRO  81 122.786   1.331   2.021
  475    HD3  PRO  81           HD3      PRO  81 121.417   2.440   1.719
  476    HA   HYP  82           HA       HYP  82 127.326   1.334  -2.345
  477    HB2  HYP  82           HB2      HYP  82 129.006   3.727  -1.665
  478    HB3  HYP  82           HB3      HYP  82 128.934   2.804  -3.189
  479    HG   HYP  82           HG       HYP  82 127.750   5.257  -2.872
  480   HD22  HYP  82          HD22      HYP  82 126.308   4.874  -1.078
  481   HD23  HYP  82          HD23      HYP  82 125.234   4.318  -2.397
  482    HD1  HYP  82           HD1      HYP  82 126.369   4.658  -4.543
  483    H    GLY  83           H        GLY  83 128.939   0.029  -1.482
  484    HA2  GLY  83           HA2      GLY  83 129.457  -0.032   1.363
  485    HA3  GLY  83           HA3      GLY  83 130.341  -0.921   0.122
  486    HA   PRO  84           HA       PRO  84 132.612   2.905   1.824
  487    HB2  PRO  84           HB2      PRO  84 134.334   1.876   3.707
  488    HB3  PRO  84           HB3      PRO  84 132.653   2.377   4.056
  489    HG2  PRO  84           HG2      PRO  84 133.667  -0.416   3.438
  490    HG3  PRO  84           HG3      PRO  84 132.611   0.102   4.793
  491    HD2  PRO  84           HD2      PRO  84 131.565  -0.965   2.519
  492    HD3  PRO  84           HD3      PRO  84 130.752   0.388   3.357
  493    HA   HYP  85           HA       HYP  85 136.270   2.129  -0.778
  494    HB2  HYP  85           HB2      HYP  85 137.723   3.882   1.183
  495    HB3  HYP  85           HB3      HYP  85 137.700   3.973  -0.597
  496    HG   HYP  85           HG       HYP  85 136.276   5.699   0.991
  497   HD22  HYP  85          HD22      HYP  85 134.997   4.202   2.250
  498   HD23  HYP  85          HD23      HYP  85 133.895   4.408   0.856
  499    HD1  HYP  85           HD1      HYP  85 136.115   5.848  -1.244
  500    H    GLY  86           H        GLY  86 138.008   0.697  -0.722
  501    HA2  GLY  86           HA2      GLY  86 138.522  -0.914   1.617
  502    HA3  GLY  86           HA3      GLY  86 139.466  -0.902   0.133
  503    HA   PRO  87           HA       PRO  87 141.620   1.404   3.715
  504    HB2  PRO  87           HB2      PRO  87 143.351  -0.496   4.714
  505    HB3  PRO  87           HB3      PRO  87 141.684  -0.244   5.311
  506    HG2  PRO  87           HG2      PRO  87 142.654  -2.275   3.280
  507    HG3  PRO  87           HG3      PRO  87 141.596  -2.551   4.702
  508    HD2  PRO  87           HD2      PRO  87 140.559  -2.228   2.209
  509    HD3  PRO  87           HD3      PRO  87 139.749  -1.527   3.642
  510    HA   HYP  88           HA       HYP  88 145.336   2.142   1.158
  511    HB2  HYP  88           HB2      HYP  88 146.683   2.572   3.806
  512    HB3  HYP  88           HB3      HYP  88 146.732   3.594   2.344
  513    HG   HYP  88           HG       HYP  88 145.216   4.224   4.548
  514   HD22  HYP  88          HD22      HYP  88 143.887   2.320   4.758
  515   HD23  HYP  88          HD23      HYP  88 142.856   3.228   3.615
  516    HD1  HYP  88           HD1      HYP  88 145.175   5.530   2.704
  517    H    GLY  89           H        GLY  89 147.080   0.898   0.503
  518    HA2  GLY  89           HA2      GLY  89 147.314  -1.788   1.413
  519    HA3  GLY  89           HA3      GLY  89 148.448  -0.969   0.344
  520    HA   PRO  90           HA       PRO  90 150.227  -1.721   4.705
  521    HB2  PRO  90           HB2      PRO  90 151.768  -3.971   4.316
  522    HB3  PRO  90           HB3      PRO  90 150.040  -4.023   4.776
  523    HG2  PRO  90           HG2      PRO  90 151.243  -4.253   2.004
  524    HG3  PRO  90           HG3      PRO  90 150.026  -5.327   2.770
  525    HD2  PRO  90           HD2      PRO  90 149.295  -3.334   1.072
  526    HD3  PRO  90           HD3      PRO  90 148.316  -3.712   2.522
  527    HA   HYP  91           HA       HYP  91 154.363  -0.032   3.584
  528    HB2  HYP  91           HB2      HYP  91 155.354  -1.929   5.693
  529    HB3  HYP  91           HB3      HYP  91 155.734  -0.200   5.473
  530    HG   HYP  91           HG       HYP  91 154.022  -1.099   7.411
  531   HD22  HYP  91          HD22      HYP  91 152.485  -2.299   6.128
  532   HD23  HYP  91          HD23      HYP  91 151.688  -0.702   6.056
  533    HD1  HYP  91           HD1      HYP  91 153.451   1.163   5.758
  534    H    GLY  92           H        GLY  92 156.143  -0.798   2.348
  535    HA2  GLY  92           HA2      GLY  92 155.927  -3.530   1.224
  536    HA3  GLY  92           HA3      GLY  92 157.034  -2.265   0.716
  537    HA   PRO  93           HA       PRO  93 159.335  -5.328   3.457
  538    HB2  PRO  93           HB2      PRO  93 161.093  -6.312   1.570
  539    HB3  PRO  93           HB3      PRO  93 159.494  -7.027   1.926
  540    HG2  PRO  93           HG2      PRO  93 160.236  -5.129  -0.311
  541    HG3  PRO  93           HG3      PRO  93 159.251  -6.624  -0.398
  542    HD2  PRO  93           HD2      PRO  93 158.144  -4.123  -0.249
  543    HD3  PRO  93           HD3      PRO  93 157.370  -5.547   0.507
  544    HA   HYP  94           HA       HYP  94 162.300  -2.171   4.030
  545    HB2  HYP  94           HB2      HYP  94 164.342  -3.368   5.422
  546    HB3  HYP  94           HB3      HYP  94 162.704  -3.077   6.069
  547    HG   HYP  94           HG       HYP  94 163.854  -5.641   4.937
  548   HD22  HYP  94          HD22      HYP  94 161.875  -6.216   3.910
  549   HD23  HYP  94          HD23      HYP  94 160.878  -5.338   5.106
  550    HD1  HYP  94           HD1      HYP  94 163.568  -5.352   7.232
  551    H    GLY  95           H        GLY  95 163.217  -4.660   1.865
  552    HA2  GLY  95           HA2      GLY  95 164.414  -3.084   0.033
  553    HA3  GLY  95           HA3      GLY  95 165.801  -3.496   1.049
  554    HN1  NH2  96           HN1      NH2  96 164.631  -6.315   1.545
  555    HN2  NH2  96           HN2      NH2  96 164.950  -7.156   0.043