*HEADER    NEUROPEPTIDE                            20-OCT-00   1GEA              
*TITLE     RECEPTOR-BOUND CONFORMATION OF PACAP21                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PITUITARY ADENYLATE CYCLASE ACTIVATING                     
*COMPND   3 POLYPEPTIDE;                                                         
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: N-TERMINAL DOMAIN(RESIDUE 132-152);                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HUMANS.             
*KEYWDS    BETA COIL, CONSECUTIVE BETA TURNS, TYPE-II BETA TURN, TYPE-           
*KEYWDS   2 I BETA TURN, HELIX                                                   
*EXPDTA    NMR 25 STRUCTURES                                                     
*AUTHOR    H.INOOKA, T.OHTAKI, O.KITAHARA, T.IKEGAMI, S.ENDO, C.KITADA,          
*AUTHOR   2 K.OGI, H.ONDA, M.FUJINO, M.SHIRAKAWA                                 
*REVDAT   1   20-APR-01 1GEA    0                                                
assign (resid 2  and name HB# )  (resid 3  and name HB1 ) 4.141  1.817  1.764
assign (resid 2  and name HB# )  (resid 6  and name HD# ) 7.500  4.500  0.500
assign (resid 3  and name HB2 )  (resid 4  and name HA# ) 4.985  1.618  1.319
assign (resid 3  and name HB1 )  (resid 4  and name HA# ) 4.504  1.462  1.318
assign (resid 6  and name HB2 )  (resid 3  and name HB2 ) 6.000  4.000  0.500
assign (resid 3  and name HB2 )  (resid 6  and name HB1 ) 3.452  1.754  1.561
assign (resid 3  and name HB1 )  (resid 6  and name HB2 ) 5.500  2.159  0.500
assign (resid 3  and name HB1 )  (resid 6  and name HB1 ) 3.420  1.420  1.611
assign (resid 3  and name HB2 )  (resid 6  and name HD# ) 7.100  5.100  0.500
assign (resid 3  and name HB1 )  (resid 6  and name HD# ) 5.148  2.513  2.451
assign (resid 3  and name HB2 )  (resid 7  and name HG2# ) 5.618  1.766  1.809
assign (resid 3  and name HB1 )  (resid 7  and name HG2# ) 5.130  1.935  1.936
assign (resid 3  and name HB1 )  (resid 7  and name HA ) 5.534  2.283  2.562
assign (resid 5  and name HG2# )  (resid 6  and name HB2 ) 5.344  1.502  1.202
assign (resid 5  and name HG2# )  (resid 6  and name HB1 ) 5.876  1.765  1.505
assign (resid 6  and name HB2 )  (resid 7  and name HA ) 5.326  1.188  1.001
assign (resid 6  and name HB1 )  (resid 7  and name HA ) 4.215  1.537  1.376
assign (resid 6  and name HB2 )  (resid 7  and name HG2# ) 5.424  2.395  2.260
assign (resid 6  and name HB1 )  (resid 7  and name HG2# ) 5.144  2.573  2.429
assign (resid 6  and name HB2 )  (resid 10  and name HD# ) 4.770  1.770  2.451
assign (resid 6  and name HB1 )  (resid 10  and name HD# ) 5.494  0.637  1.667
assign (resid 7  and name HA )  (resid 10  and name HB2 ) 4.512  2.751  2.755
assign (resid 7  and name HA )  (resid 10  and name HB1 ) 4.210  2.809  3.234
assign (resid 7  and name HG2# )  (resid 9  and name HB2 ) 5.826  2.204  2.205
assign (resid 7  and name HG2# )  (resid 10  and name HB2 ) 5.709  2.217  2.218
assign (resid 7  and name HG2# )  (resid 10  and name HB1 ) 5.109  1.862  1.068
assign (resid 7  and name HG2# )  (resid 11  and name HB1 ) 4.322  1.697  1.914
assign (resid 7  and name HG2# )  (resid 11  and name HB2 ) 5.380  1.800  1.815
assign (resid 8  and name HA )  (resid 9  and name HB2 ) 4.091  2.387  2.603
assign (resid 8  and name HA )  (resid 9  and name HB1 ) 4.170  2.170  2.471
assign (resid 8  and name HA )  (resid 11  and name HB1 ) 3.368  1.368  1.436
assign (resid 8  and name HA )  (resid 11  and name HB2 ) 3.615  1.448  1.454
assign (resid 8  and name HB# )  (resid 11  and name HB1 ) 4.541  1.931  1.966
assign (resid 8  and name HB# )  (resid 11  and name HB2 ) 4.663  1.831  1.864
assign (resid 9  and name HB2 )  (resid 10  and name HA ) 4.759  1.903  1.990
assign (resid 9  and name HB1 )  (resid 10  and name HA ) 4.629  1.744  1.746
assign (resid 9  and name HB2 )  (resid 10  and name HD# ) 4.941  2.941  3.252
assign (resid 9  and name HB1 )  (resid 10  and name HD# ) 4.698  2.698  3.142
assign (resid 9  and name HB2 )  (resid 12  and name HB# ) 3.873  1.876  2.541
assign (resid 9  and name HB1 )  (resid 12  and name HB# ) 3.927  2.032  2.434
assign (resid 9  and name HB2 )  (resid 12  and name HG# ) 4.843  1.568  1.520
assign (resid 9  and name HB1 )  (resid 12  and name HG# ) 4.690  1.305  1.207
assign (resid 9  and name HB2 )  (resid 12  and name HD# ) 4.163  1.220  1.220
assign (resid 9  and name HB1 )  (resid 12  and name HD# ) 4.451  1.351  1.257
assign (resid 9  and name HB2 )  (resid 13  and name HD# ) 5.687  1.879  1.888
assign (resid 9  and name HB1 )  (resid 13  and name HD# ) 5.353  1.258  1.463
assign (resid 9  and name HB2 )  (resid 13  and name HE# ) 4.960  3.176  3.684
assign (resid 9  and name HB1 )  (resid 13  and name HE# ) 5.153  3.867  3.918
assign (resid 10  and name HA )  (resid 11  and name HB1 ) 4.134  1.845  1.891
assign (resid 10  and name HA )  (resid 11  and name HB2 ) 4.643  1.355  1.260
assign (resid 10  and name HA )  (resid 13  and name HB2 ) 3.147  1.143  1.148
assign (resid 10  and name HB2 )  (resid 11  and name HA ) 4.500  1.818  1.718
assign (resid 10  and name HB1 )  (resid 11  and name HA ) 4.397  2.022  1.922
assign (resid 11  and name HB1 )  (resid 10  and name HB2 ) 4.549  2.196  2.183
assign (resid 10  and name HB2 )  (resid 11  and name HB2 ) 4.372  2.709  2.909
assign (resid 10  and name HB1 )  (resid 11  and name HB1 ) 4.024  1.622  1.656
assign (resid 10  and name HB1 )  (resid 11  and name HB2 ) 4.567  2.272  1.470
assign (resid 10  and name HB2 )  (resid 13  and name HD# ) 4.383  1.131  2.167
assign (resid 10  and name HB1 )  (resid 13  and name HD# ) 4.337  2.337  2.739
assign (resid 10  and name HD# )  (resid 11  and name HB1 ) 5.020  1.841  2.163
assign (resid 10  and name HD# )  (resid 11  and name HB2 ) 5.127  1.592  1.789
assign (resid 10  and name HE# )  (resid 11  and name HB2 ) 5.110  1.959  1.963
assign (resid 10  and name HE# )  (resid 14  and name HB2 ) 5.083  3.083  3.134
assign (resid 10  and name HE# )  (resid 14  and name HB1 ) 5.727  3.123  3.024
assign (resid 10  and name HE# )  (resid 14  and name HG2 ) 5.393  2.887  2.899
assign (resid 11  and name HA )  (resid 14  and name HB2 ) 3.250  1.250  1.430
assign (resid 11  and name HA )  (resid 14  and name HB1 ) 3.458  1.458  1.598
assign (resid 11  and name HA )  (resid 14  and name HG2 ) 4.057  1.606  1.628
assign (resid 11  and name HA )  (resid 14  and name HG1 ) 3.885  1.532  1.534
assign (resid 11  and name HB1 )  (resid 12  and name HA ) 4.542  1.563  1.470
assign (resid 11  and name HB2 )  (resid 12  and name HA ) 4.732  1.628  1.558
assign (resid 11  and name HB1 )  (resid 12  and name HB# ) 4.391  2.391  2.696
assign (resid 11  and name HB2 )  (resid 12  and name HB# ) 4.775  1.675  1.638
assign (resid 11  and name HB1 )  (resid 12  and name HG# ) 4.709  1.882  1.849
assign (resid 11  and name HB2 )  (resid 12  and name HG# ) 4.531  1.704  2.027
assign (resid 11  and name HB1 )  (resid 14  and name HB2 ) 4.697  2.007  2.001
assign (resid 11  and name HB1 )  (resid 14  and name HB1 ) 4.750  2.248  2.295
assign (resid 11  and name HB2 )  (resid 14  and name HB2 ) 4.478  1.631  1.566
assign (resid 11  and name HB2 )  (resid 14  and name HB1 ) 4.519  1.719  1.620
assign (resid 11  and name HB2 )  (resid 14  and name HD# ) 4.805  1.592  1.768
assign (resid 11  and name HB2 )  (resid 15  and name HD# ) 4.724  1.906  1.923
assign (resid 11  and name HB2 )  (resid 15  and name HE# ) 4.174  2.303  2.503
assign (resid 12  and name HA )  (resid 15  and name HB2 ) 4.118  1.476  1.389
assign (resid 12  and name HA )  (resid 15  and name HB1 ) 4.070  1.622  1.522
assign (resid 12  and name HA )  (resid 15  and name HG1 ) 4.730  1.967  1.923
assign (resid 13  and name HA )  (resid 16  and name HB2 ) 3.378  1.378  1.426
assign (resid 13  and name HA )  (resid 16  and name HB1 ) 3.546  1.506  1.535
assign (resid 13  and name HB1 )  (resid 16  and name HG# ) 4.608  2.073  2.035
assign (resid 13  and name HB2 )  (resid 17  and name HE# ) 5.180  1.216  1.307
assign (resid 13  and name HB1 )  (resid 17  and name HE# ) 5.182  2.748  2.785
assign (resid 13  and name HD# )  (resid 14  and name HB2 ) 4.369  1.539  1.541
assign (resid 13  and name HD# )  (resid 14  and name HB1 ) 5.078  1.348  1.387
assign (resid 13  and name HD# )  (resid 14  and name HG2 ) 4.946  1.373  1.428
assign (resid 13  and name HD# )  (resid 14  and name HG1 ) 4.955  1.636  1.639
assign (resid 13  and name HD# )  (resid 16  and name HB2 ) 4.923  2.923  3.558
assign (resid 13  and name HD# )  (resid 16  and name HB1 ) 5.047  3.041  3.044
assign (resid 13  and name HD# )  (resid 17  and name HE# ) 5.509  1.416  1.337
assign (resid 14  and name HA )  (resid 17  and name HB2 ) 4.411  1.556  1.461
assign (resid 17  and name HA )  (resid 20  and name HB2 ) 3.535  1.523  1.523
assign (resid 17  and name HA )  (resid 20  and name HB1 ) 3.875  1.718  1.750
assign (resid 17  and name HA )  (resid 20  and name HG1 ) 4.029  1.648  1.699
assign (resid 17  and name HB2 )  (resid 18  and name HA ) 3.967  1.422  1.565
assign (resid 17  and name HB1 )  (resid 18  and name HA ) 5.500  3.500  0.500
assign (resid 17  and name HB2 )  (resid 18  and name HB# ) 6.872  2.872  0.500
assign (resid 18  and name HB# )  (resid 17  and name HB1 ) 3.836  2.148  3.060
assign (resid 17  and name HB2 )  (resid 20  and name HE# ) 4.771  0.613  0.805
assign (resid 17  and name HB1 )  (resid 20  and name HE# ) 4.116  0.938  1.004
assign (resid 19  and name HA )  (resid 20  and name HG1 ) 4.788  1.806  1.706
assign (resid 19  and name HG2# )  (resid 20  and name HG2 ) 4.582  2.113  2.014
assign (resid 19  and name HG1# )  (resid 20  and name HG1 ) 4.034  2.153  2.358
assign (resid 16  and name HG# )  (resid 19  and name HG2# ) 5.585  1.827  1.856
assign (resid 18  and name HA )  (resid 19  and name HG2# ) 3.609  2.356  3.636
assign (resid 18  and name HA )  (resid 19  and name HG1# ) 4.024  2.350  3.173
assign (resid 18  and name HB# )  (resid 19  and name HG1# ) 7.365  3.365  0.500
assign (resid 19  and name HG2# )  (resid 20  and name HA ) 4.507  2.216  2.115
assign (resid 19  and name HG2# )  (resid 20  and name HE# ) 7.000  5.000  0.500
assign (resid 19  and name HG1# )  (resid 20  and name HE# ) 7.000  5.000  0.500
assign (resid 1  and name HA )  (resid 1  and name HD2 ) 3.834  1.605  1.604
assign (resid 1  and name HA )  (resid 2  and name HA ) 4.913  1.650  1.915
assign (resid 1  and name HB# )  (resid 1  and name HD2 ) 3.345  1.218  1.218
assign (resid 1  and name HB# )  (resid 2  and name HA ) 5.846  1.893  1.893
assign (resid 1  and name HB# )  (resid 6  and name HE# ) 7.500  3.500  0.500
assign (resid 2  and name HB# )  (resid 1  and name HB# ) 6.000  4.000  0.500
assign (resid 1  and name HD2 )  (resid 2  and name HA ) 5.312  1.169  1.320
assign (resid 1  and name HD2 )  (resid 2  and name HB# ) 5.500  3.500  0.500
assign (resid 3  and name HA )  (resid 1  and name HD2 ) 4.710  1.391  1.805
assign (resid 1  and name HD2 )  (resid 3  and name HB1 ) 4.547  1.203  2.095
assign (resid 1  and name HE1 )  (resid 3  and name HA ) 6.500  3.500  0.500
assign (resid 1  and name HE1 )  (resid 3  and name HB1 ) 6.500  3.500  0.500
assign (resid 2  and name HA )  (resid 3  and name HA ) 3.975  1.759  1.766
assign (resid 2  and name HA )  (resid 7  and name HG2# ) 7.046  2.046  0.500
assign (resid 2  and name HB# )  (resid 3  and name HA ) 5.118  1.508  1.527
assign (resid 3  and name HA )  (resid 4  and name HA# ) 4.510  1.977  1.887
assign (resid 5  and name HA )  (resid 4  and name HA# ) 4.450  1.711  1.636
assign (resid 4  and name HA# )  (resid 5  and name HG2# ) 4.755  1.928  1.860
assign (resid 4  and name HA# )  (resid 6  and name HD# ) 7.972  4.472  0.500
assign (resid 4  and name HA# )  (resid 7  and name HG2# ) 4.371  2.371  2.401
assign (resid 5  and name HA )  (resid 5  and name HB ) 3.365  1.365  1.425
assign (resid 5  and name HA )  (resid 5  and name HG2# ) 3.653  1.384  1.400
assign (resid 5  and name HA )  (resid 5  and name HG12 ) 3.206  1.206  1.227
assign (resid 5  and name HA )  (resid 5  and name HG11 ) 3.367  1.367  1.411
assign (resid 5  and name HA )  (resid 5  and name HD1# ) 3.716  1.518  1.520
assign (resid 5  and name HA )  (resid 6  and name HA ) 4.759  1.804  1.703
assign (resid 5  and name HA )  (resid 6  and name HD# ) 4.204  2.123  2.556
assign (resid 5  and name HA )  (resid 7  and name HG2# ) 4.475  2.092  2.007
assign (resid 5  and name HA )  (resid 8  and name HA ) 4.511  2.533  3.235
assign (resid 5  and name HB )  (resid 6  and name HD# ) 5.522  2.632  3.544
assign (resid 5  and name HG2# )  (resid 6  and name HA ) 6.066  1.194  0.747
assign (resid 5  and name HG2# )  (resid 6  and name HD# ) 5.702  2.607  2.735
assign (resid 5  and name HG2# )  (resid 6  and name HE# ) 4.672  2.475  2.586
assign (resid 5  and name HG2# )  (resid 7  and name HA ) 5.712  3.115  3.115
assign (resid 5  and name HG2# )  (resid 7  and name HG2# ) 5.335  1.508  1.709
assign (resid 5  and name HG2# )  (resid 3  and name HB1 ) 4.775  0.633  0.664
assign (resid 5  and name HG2# )  (resid 10  and name HA ) 5.375  0.913  2.131
assign (resid 5  and name HG2# )  (resid 10  and name HB1 ) 6.803  1.217  0.581
assign (resid 5  and name HG2# )  (resid 10  and name HD# ) 7.000  3.500  0.500
assign (resid 5  and name HG2# )  (resid 10  and name HE# ) 5.181  0.541  1.945
assign (resid 5  and name HG2# )  (resid 13  and name HD# ) 6.477  2.434  2.535
assign (resid 5  and name HD1# )  (resid 6  and name HE# ) 4.601  1.152  1.156
assign (resid 5  and name HD1# )  (resid 13  and name HE# ) 5.996  3.078  3.214
assign (resid 7  and name HG2# )  (resid 6  and name HA ) 9.013  4.013  0.500
assign (resid 6  and name HD# )  (resid 7  and name HA ) 4.160  2.160  2.616
assign (resid 6  and name HD# )  (resid 7  and name HG2# ) 5.405  2.055  2.059
assign (resid 6  and name HD# )  (resid 10  and name HE# ) 4.282  1.199  3.296
assign (resid 6  and name HD# )  (resid 11  and name HB2 ) 8.000  5.000  0.500
assign (resid 7  and name HA )  (resid 8  and name HA ) 7.306  4.484  0.500
assign (resid 7  and name HA )  (resid 8  and name HB# ) 4.405  0.836  0.740
assign (resid 7  and name HA )  (resid 10  and name HD# ) 5.094  1.638  1.670
assign (resid 7  and name HB )  (resid 8  and name HA ) 3.663  1.755  2.062
assign (resid 7  and name HG2# )  (resid 8  and name HA ) 4.440  1.910  1.811
assign (resid 7  and name HG2# )  (resid 8  and name HB# ) 8.723  4.223  0.500
assign (resid 7  and name HG2# )  (resid 9  and name HA ) 4.367  2.321  2.349
assign (resid 7  and name HG2# )  (resid 10  and name HA ) 4.681  2.188  2.201
assign (resid 7  and name HG2# )  (resid 10  and name HD# ) 7.083  2.025  1.120
assign (resid 7  and name HG2# )  (resid 10  and name HE# ) 5.131  1.521  2.022
assign (resid 7  and name HG2# )  (resid 12  and name HG# ) 4.230  3.097  3.515
assign (resid 7  and name HG2# )  (resid 13  and name HD# ) 6.562  0.709  1.961
assign (resid 7  and name HG2# )  (resid 13  and name HE# ) 5.140  3.140  4.043
assign (resid 8  and name HA )  (resid 9  and name HA ) 5.000  2.500  0.500
assign (resid 8  and name HB# )  (resid 9  and name HA ) 4.353  1.770  1.779
assign (resid 8  and name HB# )  (resid 10  and name HD# ) 5.500  0.673  2.280
assign (resid 8  and name HB# )  (resid 10  and name HE# ) 4.603  2.763  4.070
assign (resid 8  and name HB# )  (resid 12  and name HG# ) 7.500  5.500  0.500
assign (resid 9  and name HA )  (resid 10  and name HA ) 4.373  2.018  1.919
assign (resid 9  and name HA )  (resid 10  and name HD# ) 4.563  1.954  2.703
assign (resid 9  and name HA )  (resid 12  and name HA ) 3.863  1.883  2.175
assign (resid 9  and name HA )  (resid 12  and name HB# ) 5.764  1.750  2.084
assign (resid 9  and name HA )  (resid 12  and name HG# ) 4.358  1.871  1.880
assign (resid 9  and name HA )  (resid 12  and name HD# ) 3.614  2.228  2.630
assign (resid 10  and name HA )  (resid 11  and name HA ) 4.107  1.540  1.442
assign (resid 10  and name HD# )  (resid 11  and name HA ) 4.312  1.889  2.905
assign (resid 10  and name HD# )  (resid 12  and name HG# ) 7.500  5.500  0.500
assign (resid 10  and name HE# )  (resid 14  and name HD# ) 4.815  3.428  3.958
assign (resid 11  and name HA )  (resid 12  and name HA ) 3.877  1.877  1.975
assign (resid 11  and name HA )  (resid 14  and name HA ) 4.162  2.315  2.542
assign (resid 11  and name HA )  (resid 14  and name HD# ) 4.153  1.718  1.717
assign (resid 12  and name HA )  (resid 13  and name HA ) 4.470  1.683  1.696
assign (resid 12  and name HA )  (resid 13  and name HD# ) 5.156  1.855  2.992
assign (resid 12  and name HA )  (resid 15  and name HE# ) 4.187  1.869  1.979
assign (resid 12  and name HB# )  (resid 13  and name HA ) 4.102  2.076  2.087
assign (resid 12  and name HB# )  (resid 13  and name HD# ) 7.000  5.000  0.500
assign (resid 16  and name HG# )  (resid 12  and name HB# ) 6.000  4.000  0.500
assign (resid 12  and name HG# )  (resid 13  and name HA ) 4.487  1.340  1.343
assign (resid 13  and name HD# )  (resid 12  and name HG# ) 7.000  2.000  0.500
assign (resid 12  and name HG# )  (resid 13  and name HE# ) 6.385  0.901  1.590
assign (resid 12  and name HG# )  (resid 16  and name HG# ) 5.500  3.500  0.500
assign (resid 13  and name HA )  (resid 14  and name HA ) 4.459  1.652  1.557
assign (resid 13  and name HA )  (resid 16  and name HA ) 4.309  2.203  2.202
assign (resid 13  and name HA )  (resid 16  and name HG# ) 4.326  1.776  1.686
assign (resid 13  and name HD# )  (resid 14  and name HA ) 4.269  1.964  2.971
assign (resid 13  and name HD# )  (resid 16  and name HG# ) 5.247  1.804  2.831
assign (resid 13  and name HE# )  (resid 17  and name HE# ) 5.065  3.073  3.082
assign (resid 14  and name HA )  (resid 15  and name HA ) 4.126  1.464  1.471
assign (resid 14  and name HA )  (resid 17  and name HA ) 5.139  2.626  2.627
assign (resid 14  and name HA )  (resid 17  and name HE# ) 5.587  1.866  1.909
assign (resid 14  and name HA )  (resid 18  and name HB# ) 4.914  2.346  3.259
assign (resid 15  and name HA )  (resid 16  and name HA ) 3.703  1.754  1.960
assign (resid 15  and name HA )  (resid 16  and name HG# ) 5.605  1.113  1.134
assign (resid 15  and name HA )  (resid 18  and name HB# ) 4.211  1.834  1.872
assign (resid 17  and name HA )  (resid 16  and name HA ) 3.837  1.871  2.147
assign (resid 16  and name HA )  (resid 19  and name HB ) 3.151  1.411  1.712
assign (resid 16  and name HA )  (resid 19  and name HG2# ) 5.009  1.189  1.358
assign (resid 16  and name HA )  (resid 19  and name HG1# ) 4.365  1.552  1.557
assign (resid 17  and name HA )  (resid 16  and name HG# ) 4.879  2.172  2.188
assign (resid 17  and name HA )  (resid 18  and name HA ) 3.278  1.947  3.859
assign (resid 17  and name HA )  (resid 18  and name HB# ) 5.500  3.500  0.500
assign (resid 17  and name HA )  (resid 20  and name HA ) 5.500  3.500  0.500
assign (resid 17  and name HA )  (resid 20  and name HD# ) 4.148  1.279  1.356
assign (resid 18  and name HA )  (resid 19  and name HA ) 3.718  2.034  2.894
assign (resid 18  and name HA )  (resid 19  and name HB ) 5.000  3.000  0.500
assign (resid 18  and name HA )  (resid 21  and name HD# ) 2.937  1.589  2.644
assign (resid 18  and name HA )  (resid 21  and name HE# ) 5.203  3.086  0.500
assign (resid 18  and name HB# )  (resid 19  and name HA ) 7.350  2.850  0.500
assign (resid 19  and name HA )  (resid 20  and name HA ) 4.075  2.075  2.181
assign (resid 19  and name HB )  (resid 20  and name HA ) 3.937  1.580  1.665
assign (resid 2  and name HA )  (resid 3  and name HN ) 2.894  0.412  0.142
assign (resid 2  and name HB# )  (resid 3  and name HN ) 4.222  1.212  1.013
assign (resid 2  and name HB# )  (resid 4  and name HN ) 4.393  1.506  0.928
assign (resid 3  and name HN )  (resid 3  and name HA ) 3.029  0.185  0.472
assign (resid 3  and name HN )  (resid 4  and name HN ) 4.835  1.778  0.587
assign (resid 3  and name HA )  (resid 4  and name HN ) 3.092  0.426  0.072
assign (resid 3  and name HA )  (resid 5  and name HN ) 5.696  1.421  1.632
assign (resid 4  and name HN )  (resid 4  and name HA# ) 2.868  0.287  0.286
assign (resid 4  and name HN )  (resid 5  and name HN ) 4.427  0.890  0.773
assign (resid 4  and name HN )  (resid 5  and name HG2# ) 6.127  1.466  1.484
assign (resid 4  and name HN )  (resid 6  and name HN ) 3.500  1.000  0.500
assign (resid 4  and name HN )  (resid 6  and name HD# ) 5.836  1.015  1.217
assign (resid 4  and name HA# )  (resid 5  and name HN ) 2.949  0.448  0.252
assign (resid 4  and name HA# )  (resid 6  and name HN ) 4.023  0.805  0.395
assign (resid 5  and name HN )  (resid 5  and name HA ) 2.916  0.402  0.084
assign (resid 5  and name HN )  (resid 5  and name HB ) 3.792  1.246  0.400
assign (resid 5  and name HN )  (resid 5  and name HG2# ) 4.268  1.617  0.818
assign (resid 5  and name HN )  (resid 6  and name HN ) 3.903  0.884  0.175
assign (resid 5  and name HN )  (resid 6  and name HD# ) 5.481  2.374  2.081
assign (resid 5  and name HN )  (resid 3  and name HB1 ) 4.619  1.057  0.262
assign (resid 5  and name HA )  (resid 6  and name HN ) 3.033  0.528  0.430
assign (resid 5  and name HA )  (resid 7  and name HN ) 4.888  1.406  1.006
assign (resid 5  and name HB )  (resid 6  and name HN ) 3.703  1.283  0.899
assign (resid 5  and name HG2# )  (resid 6  and name HN ) 4.328  1.363  0.869
assign (resid 5  and name HG2# )  (resid 7  and name HN ) 5.734  1.230  0.632
assign (resid 6  and name HN )  (resid 6  and name HA ) 3.174  0.447  0.387
assign (resid 6  and name HN )  (resid 7  and name HN ) 4.515  0.729  0.062
assign (resid 6  and name HA )  (resid 7  and name HN ) 3.300  0.800  0.376
assign (resid 6  and name HD# )  (resid 7  and name HN ) 4.734  1.943  2.046
assign (resid 7  and name HN )  (resid 7  and name HA ) 2.817  0.297  0.183
assign (resid 7  and name HN )  (resid 7  and name HB ) 3.503  0.655  0.504
assign (resid 7  and name HN )  (resid 7  and name HG2# ) 4.051  1.251  1.045
assign (resid 7  and name HN )  (resid 8  and name HN ) 4.775  1.039  0.441
assign (resid 7  and name HA )  (resid 8  and name HN ) 3.466  0.586  0.180
assign (resid 7  and name HB )  (resid 8  and name HN ) 4.367  1.425  0.153
assign (resid 7  and name HG2# )  (resid 8  and name HN ) 3.658  1.004  1.004
assign (resid 8  and name HN )  (resid 8  and name HA ) 2.868  0.449  0.132
assign (resid 8  and name HN )  (resid 8  and name HB# ) 3.757  1.218  0.453
assign (resid 8  and name HN )  (resid 10  and name HN ) 5.474  1.508  0.513
assign (resid 8  and name HN )  (resid 10  and name HD# ) 5.474  1.338  1.602
assign (resid 8  and name HA )  (resid 9  and name HN ) 3.605  0.659  0.395
assign (resid 8  and name HB# )  (resid 9  and name HN ) 3.849  1.211  0.938
assign (resid 8  and name HB# )  (resid 10  and name HN ) 5.417  1.062  0.567
assign (resid 8  and name HB# )  (resid 11  and name HN ) 5.136  1.017  0.518
assign (resid 9  and name HN )  (resid 9  and name HA ) 2.770  0.327  0.230
assign (resid 9  and name HN )  (resid 9  and name HB2 ) 4.098  1.524  0.456
assign (resid 9  and name HN )  (resid 9  and name HB1 ) 4.052  1.489  0.406
assign (resid 9  and name HN )  (resid 10  and name HN ) 4.663  1.308  1.328
assign (resid 9  and name HA )  (resid 10  and name HN ) 3.500  0.500  0.500
assign (resid 9  and name HA )  (resid 11  and name HN ) 4.447  0.830  0.561
assign (resid 9  and name HA )  (resid 12  and name HN ) 4.573  1.011  0.534
assign (resid 9  and name HA )  (resid 13  and name HN ) 4.684  1.326  0.855
assign (resid 10  and name HN )  (resid 10  and name HA ) 2.900  0.381  0.100
assign (resid 10  and name HN )  (resid 10  and name HB2 ) 4.233  1.444  0.247
assign (resid 10  and name HN )  (resid 10  and name HB1 ) 4.242  2.228  0.838
assign (resid 10  and name HN )  (resid 10  and name HD# ) 3.616  1.305  1.305
assign (resid 10  and name HN )  (resid 11  and name HN ) 4.027  1.318  0.502
assign (resid 10  and name HN )  (resid 12  and name HG# ) 5.089  1.553  0.558
assign (resid 10  and name HA )  (resid 11  and name HN ) 3.500  1.500  0.500
assign (resid 10  and name HA )  (resid 12  and name HN ) 4.634  1.056  0.461
assign (resid 10  and name HA )  (resid 13  and name HN ) 3.778  0.771  1.369
assign (resid 10  and name HD# )  (resid 11  and name HN ) 3.715  1.243  1.248
assign (resid 10  and name HD# )  (resid 13  and name HN ) 3.941  1.905  3.518
assign (resid 11  and name HN )  (resid 11  and name HA ) 2.945  0.422  0.055
assign (resid 11  and name HN )  (resid 11  and name HB2 ) 4.020  1.602  0.802
assign (resid 11  and name HN )  (resid 13  and name HN ) 4.364  1.818  1.236
assign (resid 11  and name HN )  (resid 13  and name HD# ) 4.984  2.758  2.906
assign (resid 11  and name HA )  (resid 12  and name HN ) 3.614  0.614  0.386
assign (resid 11  and name HA )  (resid 13  and name HN ) 4.283  1.291  0.908
assign (resid 11  and name HA )  (resid 14  and name HN ) 4.181  1.278  0.890
assign (resid 12  and name HN )  (resid 12  and name HA ) 2.838  0.350  0.162
assign (resid 12  and name HN )  (resid 12  and name HB# ) 3.924  1.250  0.712
assign (resid 12  and name HN )  (resid 12  and name HG# ) 4.655  1.917  0.718
assign (resid 12  and name HN )  (resid 12  and name HD# ) 4.448  1.711  1.410
assign (resid 12  and name HN )  (resid 13  and name HN ) 4.458  2.085  0.179
assign (resid 12  and name HN )  (resid 14  and name HN ) 4.590  0.669  0.729
assign (resid 12  and name HA )  (resid 13  and name HN ) 3.444  0.344  0.259
assign (resid 12  and name HA )  (resid 15  and name HN ) 4.193  0.706  0.328
assign (resid 12  and name HB# )  (resid 13  and name HN ) 4.220  1.153  0.358
assign (resid 12  and name HG# )  (resid 13  and name HN ) 4.016  1.429  1.030
assign (resid 12  and name HG# )  (resid 14  and name HN ) 4.746  1.706  1.305
assign (resid 13  and name HN )  (resid 13  and name HA ) 2.863  0.165  0.137
assign (resid 13  and name HN )  (resid 13  and name HB1 ) 3.804  1.700  0.822
assign (resid 13  and name HN )  (resid 13  and name HD# ) 3.899  2.227  2.628
assign (resid 13  and name HA )  (resid 14  and name HN ) 3.800  0.643  0.200
assign (resid 13  and name HA )  (resid 15  and name HN ) 5.476  1.463  0.397
assign (resid 13  and name HA )  (resid 16  and name HN ) 4.908  1.463  0.310
assign (resid 13  and name HA )  (resid 17  and name HN ) 5.399  1.316  0.217
assign (resid 14  and name HN )  (resid 14  and name HA ) 2.888  0.200  0.112
assign (resid 14  and name HN )  (resid 14  and name HB2 ) 3.830  1.330  0.871
assign (resid 14  and name HN )  (resid 14  and name HB1 ) 4.404  1.574  0.992
assign (resid 14  and name HN )  (resid 14  and name HD# ) 4.260  1.708  1.509
assign (resid 14  and name HN )  (resid 15  and name HN ) 3.795  1.065  0.728
assign (resid 14  and name HA )  (resid 15  and name HN ) 3.570  0.570  0.182
assign (resid 14  and name HA )  (resid 16  and name HN ) 4.939  0.992  0.161
assign (resid 14  and name HA )  (resid 17  and name HN ) 4.732  1.328  0.229
assign (resid 14  and name HA )  (resid 18  and name HN ) 5.519  1.892  0.483
assign (resid 14  and name HD# )  (resid 15  and name HN ) 4.438  2.219  2.120
assign (resid 15  and name HN )  (resid 15  and name HA ) 2.901  0.159  0.099
assign (resid 15  and name HN )  (resid 15  and name HB2 ) 3.807  1.374  0.556
assign (resid 15  and name HN )  (resid 15  and name HB1 ) 3.963  1.424  0.674
assign (resid 15  and name HN )  (resid 15  and name HD# ) 4.199  2.199  1.299
assign (resid 15  and name HN )  (resid 15  and name HE# ) 4.731  1.981  1.093
assign (resid 15  and name HN )  (resid 16  and name HN ) 4.502  1.489  0.202
assign (resid 15  and name HN )  (resid 16  and name HG# ) 5.385  1.300  0.615
assign (resid 15  and name HN )  (resid 17  and name HN ) 5.222  1.937  0.463
assign (resid 15  and name HA )  (resid 16  and name HN ) 3.378  0.378  0.329
assign (resid 15  and name HA )  (resid 17  and name HN ) 5.240  1.305  0.105
assign (resid 15  and name HA )  (resid 18  and name HN ) 5.057  1.300  0.017
assign (resid 15  and name HD# )  (resid 16  and name HN ) 4.867  1.470  0.977
assign (resid 15  and name HD# )  (resid 17  and name HN ) 5.363  1.738  1.169
assign (resid 16  and name HN )  (resid 16  and name HA ) 2.700  0.134  0.300
assign (resid 16  and name HN )  (resid 16  and name HB2 ) 3.903  1.358  0.865
assign (resid 16  and name HN )  (resid 16  and name HB1 ) 3.862  1.413  0.941
assign (resid 16  and name HN )  (resid 16  and name HG# ) 4.273  1.279  0.892
assign (resid 16  and name HN )  (resid 17  and name HN ) 4.274  1.774  0.870
assign (resid 16  and name HN )  (resid 18  and name HN ) 6.079  1.923  0.239
assign (resid 16  and name HA )  (resid 17  and name HN ) 3.475  0.475  0.237
assign (resid 16  and name HA )  (resid 18  and name HN ) 5.041  1.120  0.185
assign (resid 16  and name HA )  (resid 19  and name HN ) 4.469  1.119  0.118
assign (resid 17  and name HN )  (resid 17  and name HA ) 2.860  0.323  0.140
assign (resid 17  and name HN )  (resid 17  and name HB2 ) 4.029  1.497  0.816
assign (resid 17  and name HN )  (resid 17  and name HB1 ) 3.983  1.796  0.500
assign (resid 17  and name HN )  (resid 18  and name HN ) 4.377  1.033  0.370
assign (resid 17  and name HN )  (resid 19  and name HN ) 5.145  1.631  0.559
assign (resid 17  and name HA )  (resid 18  and name HN ) 3.788  0.542  0.092
assign (resid 17  and name HA )  (resid 19  and name HN ) 4.723  1.429  0.330
assign (resid 17  and name HA )  (resid 20  and name HN ) 4.752  1.236  0.338
assign (resid 18  and name HN )  (resid 18  and name HA ) 2.749  0.034  0.251
assign (resid 18  and name HN )  (resid 18  and name HB# ) 4.088  1.268  0.276
assign (resid 18  and name HN )  (resid 19  and name HN ) 3.825  0.732  0.234
assign (resid 18  and name HA )  (resid 19  and name HN ) 3.781  0.781  0.219
assign (resid 18  and name HB# )  (resid 19  and name HN ) 3.978  1.231  0.531
assign (resid 19  and name HN )  (resid 19  and name HA ) 2.897  0.242  0.147
assign (resid 19  and name HN )  (resid 19  and name HB ) 3.673  1.192  0.411
assign (resid 19  and name HN )  (resid 19  and name HG2# ) 4.721  1.423  0.549
assign (resid 19  and name HN )  (resid 19  and name HG1# ) 3.726  1.260  1.068
assign (resid 19  and name HN )  (resid 20  and name HN ) 3.972  0.766  0.273
assign (resid 19  and name HA )  (resid 20  and name HN ) 3.246  0.400  0.361
assign (resid 19  and name HB )  (resid 20  and name HN ) 3.478  0.908  0.509
assign (resid 20  and name HN )  (resid 20  and name HA ) 3.112  0.311  0.113
assign (resid 20  and name HN )  (resid 20  and name HB2 ) 3.692  1.199  0.705
assign (resid 20  and name HN )  (resid 20  and name HB1 ) 3.722  1.074  0.678
assign (resid 20  and name HN )  (resid 20  and name HD# ) 4.923  1.851  1.054
assign (resid 20  and name HA )  (resid 21  and name HN ) 3.116  0.360  0.167
assign (resid 21  and name HN )  (resid 21  and name HA ) 3.078  0.371  0.181
assign (resid 21  and name HN )  (resid 21  and name HB2 ) 4.591  2.591  0.500
assign (resid 21  and name HN )  (resid 21  and name HB1 ) 4.356  1.566  0.371
assign (resid 21  and name HN )  (resid 21  and name HD# ) 4.835  1.511  0.611
assign (resid 21  and name HN )  (resid 21  and name H2 ) 3.953  1.004  0.700
assign (resid 21  and name HA )  (resid 21  and name H1 ) 3.637  1.010  0.411
assign (resid 21  and name HA )  (resid 21  and name H2 ) 3.596  1.036  0.440

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    HIS   1          HT1       HIS   1   0.501   2.434  -0.323
    2   2H    HIS   1          HT2       HIS   1   1.731   2.989   0.708
    3   3H    HIS   1          HT3       HIS   1   1.856   1.460  -0.021
    4    HA   HIS   1           HA       HIS   1   1.869   2.599  -2.227
    5   1HB   HIS   1          HB2       HIS   1   0.878   4.722  -1.282
    6   2HB   HIS   1          HB1       HIS   1   2.431   5.028  -0.504
    7    HD1  HIS   1           HD1      HIS   1   2.861   7.126  -2.001
    8    HD2  HIS   1           HD2      HIS   1   2.454   3.572  -4.142
    9    HE1  HIS   1           HE1      HIS   1   3.663   7.611  -4.354
   10    H    SER   2           HN       SER   2   3.973   2.760  -3.153
   11    HA   SER   2           HA       SER   2   6.329   3.145  -1.497
   12   1HB   SER   2          HB2       SER   2   5.443   0.376  -2.257
   13   2HB   SER   2          HB1       SER   2   7.159   0.744  -2.123
   14    HG   SER   2           HG       SER   2   6.670   0.233  -0.096
   15    H    ASP   3           HN       ASP   3   8.348   2.830  -2.843
   16    HA   ASP   3           HA       ASP   3   8.090   2.418  -5.708
   17   1HB   ASP   3          HB2       ASP   3   7.090   4.752  -5.205
   18   2HB   ASP   3          HB1       ASP   3   8.758   5.242  -4.913
   19    H    GLY   4           HN       GLY   4   9.912   1.010  -4.601
   20   1HA   GLY   4          HA2       GLY   4  12.243   0.605  -4.591
   21   2HA   GLY   4          HA1       GLY   4  12.472   2.207  -5.297
   22    H    ILE   5           HN       ILE   5  13.333   3.745  -3.985
   23    HA   ILE   5           HA       ILE   5  14.397   3.368  -1.484
   24    HB   ILE   5           HB       ILE   5  14.871   5.429  -2.506
   25   1HG1  ILE   5          HG12      ILE   5  14.339   5.452   0.055
   26   2HG1  ILE   5          HG11      ILE   5  14.528   6.990  -0.784
   27   1HG2  ILE   5          HG21      ILE   5  13.023   5.647  -3.986
   28   2HG2  ILE   5          HG22      ILE   5  12.992   7.083  -2.963
   29   3HG2  ILE   5          HG23      ILE   5  11.874   5.754  -2.653
   30   1HD1  ILE   5          HD11      ILE   5  12.331   6.220   0.747
   31   2HD1  ILE   5          HD12      ILE   5  11.781   6.007  -0.915
   32   3HD1  ILE   5          HD13      ILE   5  12.384   7.575  -0.381
   33    H    PHE   6           HN       PHE   6  11.001   3.799  -2.208
   34    HA   PHE   6           HA       PHE   6  10.418   3.741   0.718
   35   1HB   PHE   6          HB2       PHE   6   9.294   5.216  -1.453
   36   2HB   PHE   6          HB1       PHE   6   8.054   4.122  -0.835
   37    HD1  PHE   6           HD1      PHE   6   8.386   3.878   1.937
   38    HD2  PHE   6           HD2      PHE   6   9.165   7.324  -0.503
   39    HE1  PHE   6           HE1      PHE   6   8.073   5.348   3.913
   40    HE2  PHE   6           HE2      PHE   6   8.853   8.797   1.470
   41    HZ   PHE   6           HZ       PHE   6   8.306   7.807   3.680
   42    H    THR   7           HN       THR   7  10.957   1.353   0.604
   43    HA   THR   7           HA       THR   7   8.585  -0.220   0.474
   44    HB   THR   7           HB       THR   7   8.897   0.086  -1.974
   45    HG1  THR   7           HG1      THR   7   8.049  -1.873  -1.081
   46   1HG2  THR   7          HG21      THR   7  11.614  -0.299  -1.302
   47   2HG2  THR   7          HG22      THR   7  10.934  -0.036  -2.908
   48   3HG2  THR   7          HG23      THR   7  11.147  -1.677  -2.298
   49    H    ASP   8           HN       ASP   8  10.213  -2.617  -0.496
   50    HA   ASP   8           HA       ASP   8  11.613  -3.000   2.085
   51   1HB   ASP   8          HB2       ASP   8  10.011  -4.733   1.496
   52   2HB   ASP   8          HB1       ASP   8  10.791  -4.966  -0.069
   53    H    SER   9           HN       SER   9  12.231  -3.806  -1.359
   54    HA   SER   9           HA       SER   9  14.862  -4.536  -1.331
   55   1HB   SER   9          HB2       SER   9  14.991  -2.745  -3.373
   56   2HB   SER   9          HB1       SER   9  14.279  -4.346  -3.510
   57    HG   SER   9           HG       SER   9  12.942  -2.493  -4.186
   58    H    TYR  10           HN       TYR  10  13.977  -1.059  -1.617
   59    HA   TYR  10           HA       TYR  10  16.499   0.024  -1.206
   60   1HB   TYR  10          HB2       TYR  10  15.344   1.928  -1.298
   61   2HB   TYR  10          HB1       TYR  10  13.864   0.986  -1.272
   62    HD1  TYR  10           HD1      TYR  10  16.146   3.096   0.674
   63    HD2  TYR  10           HD2      TYR  10  12.649   0.607   0.856
   64    HE1  TYR  10           HE1      TYR  10  15.580   4.050   2.891
   65    HE2  TYR  10           HE2      TYR  10  12.084   1.562   3.072
   66    HH   TYR  10           HH       TYR  10  14.221   3.940   4.646
   67    H    SER  11           HN       SER  11  14.145  -0.801   1.347
   68    HA   SER  11           HA       SER  11  15.664  -0.056   3.568
   69   1HB   SER  11          HB2       SER  11  13.397  -0.937   3.771
   70   2HB   SER  11          HB1       SER  11  13.924  -2.517   3.199
   71    HG   SER  11           HG       SER  11  14.820  -1.184   5.549
   72    H    ARG  12           HN       ARG  12  15.927  -2.999   1.603
   73    HA   ARG  12           HA       ARG  12  18.174  -3.993   3.223
   74   1HB   ARG  12          HB2       ARG  12  18.077  -5.951   1.891
   75   2HB   ARG  12          HB1       ARG  12  16.398  -5.449   2.050
   76   1HG   ARG  12          HG2       ARG  12  16.263  -4.731  -0.157
   77   2HG   ARG  12          HG1       ARG  12  18.000  -4.476  -0.302
   78   1HD   ARG  12          HD2       ARG  12  16.997  -6.539  -1.487
   79   2HD   ARG  12          HD1       ARG  12  18.441  -6.786  -0.504
   80    HE   ARG  12           HE       ARG  12  15.687  -7.396   0.499
   81   1HH1  ARG  12          HH11      ARG  12  17.888  -9.286  -0.816
   82   2HH1  ARG  12          HH12      ARG  12  18.390 -10.134   0.608
   83   1HH2  ARG  12          HH21      ARG  12  16.834  -7.933   2.789
   84   2HH2  ARG  12          HH22      ARG  12  17.793  -9.368   2.649
   85    H    TYR  13           HN       TYR  13  17.684  -2.208   0.261
   86    HA   TYR  13           HA       TYR  13  20.455  -2.568  -0.625
   87   1HB   TYR  13          HB2       TYR  13  19.398  -2.159  -2.583
   88   2HB   TYR  13          HB1       TYR  13  17.958  -1.594  -1.753
   89    HD1  TYR  13           HD1      TYR  13  21.453  -0.217  -1.913
   90    HD2  TYR  13           HD2      TYR  13  17.286   0.410  -2.741
   91    HE1  TYR  13           HE1      TYR  13  21.945   2.095  -2.648
   92    HE2  TYR  13           HE2      TYR  13  17.776   2.723  -3.463
   93    HH   TYR  13           HH       TYR  13  19.338   4.332  -3.549
   94    H    ARG  14           HN       ARG  14  18.504  -0.144   1.011
   95    HA   ARG  14           HA       ARG  14  20.220   2.072   1.008
   96   1HB   ARG  14          HB2       ARG  14  17.938   1.935   2.126
   97   2HB   ARG  14          HB1       ARG  14  18.727   1.100   3.469
   98   1HG   ARG  14          HG2       ARG  14  20.364   3.261   3.129
   99   2HG   ARG  14          HG1       ARG  14  18.793   3.950   2.728
  100   1HD   ARG  14          HD2       ARG  14  18.215   3.983   4.901
  101   2HD   ARG  14          HD1       ARG  14  18.528   2.253   5.038
  102    HE   ARG  14           HE       ARG  14  20.396   2.925   6.298
  103   1HH1  ARG  14          HH11      ARG  14  19.477   5.848   5.282
  104   2HH1  ARG  14          HH12      ARG  14  21.041   6.456   4.853
  105   1HH2  ARG  14          HH21      ARG  14  22.589   3.359   5.042
  106   2HH2  ARG  14          HH22      ARG  14  22.803   5.047   4.717
  107    H    LYS  15           HN       LYS  15  20.105  -0.249   3.734
  108    HA   LYS  15           HA       LYS  15  22.509   0.451   4.960
  109   1HB   LYS  15          HB2       LYS  15  21.597  -2.417   4.624
  110   2HB   LYS  15          HB1       LYS  15  22.537  -1.741   5.952
  111   1HG   LYS  15          HG2       LYS  15  20.670  -1.097   7.032
  112   2HG   LYS  15          HG1       LYS  15  20.067  -0.266   5.597
  113   1HD   LYS  15          HD2       LYS  15  19.305  -2.459   4.691
  114   2HD   LYS  15          HD1       LYS  15  19.816  -3.226   6.194
  115   1HE   LYS  15          HE2       LYS  15  18.267  -1.777   7.463
  116   2HE   LYS  15          HE1       LYS  15  17.743  -1.024   5.956
  117   1HZ   LYS  15          HZ1       LYS  15  16.244  -2.796   6.685
  118   2HZ   LYS  15          HZ2       LYS  15  17.516  -3.918   6.585
  119   3HZ   LYS  15          HZ3       LYS  15  16.948  -3.147   5.182
  120    H    GLN  16           HN       GLN  16  22.093  -2.006   2.387
  121    HA   GLN  16           HA       GLN  16  24.653  -2.937   2.036
  122   1HB   GLN  16          HB2       GLN  16  22.643  -2.082  -0.058
  123   2HB   GLN  16          HB1       GLN  16  24.179  -2.828  -0.494
  124   1HG   GLN  16          HG2       GLN  16  23.642  -4.860   0.570
  125   2HG   GLN  16          HG1       GLN  16  22.369  -4.119   1.541
  126   1HE2  GLN  16          HE21      GLN  16  22.906  -3.753  -1.990
  127   2HE2  GLN  16          HE22      GLN  16  21.413  -4.422  -2.442
  128    H    MET  17           HN       MET  17  23.477   0.278   1.169
  129    HA   MET  17           HA       MET  17  25.608   1.247  -0.360
  130   1HB   MET  17          HB2       MET  17  24.068   2.671   1.830
  131   2HB   MET  17          HB1       MET  17  25.113   3.481   0.662
  132   1HG   MET  17          HG2       MET  17  23.000   1.633  -0.374
  133   2HG   MET  17          HG1       MET  17  22.508   3.224   0.206
  134   1HE   MET  17          HE1       MET  17  23.724   1.035  -2.155
  135   2HE   MET  17          HE2       MET  17  25.342   1.632  -2.513
  136   3HE   MET  17          HE3       MET  17  24.026   1.943  -3.642
  137    H    ALA  18           HN       ALA  18  25.454   2.135   3.083
  138    HA   ALA  18           HA       ALA  18  28.121   2.746   3.466
  139   1HB   ALA  18          HB1       ALA  18  26.191   2.799   5.174
  140   2HB   ALA  18          HB2       ALA  18  27.796   2.406   5.791
  141   3HB   ALA  18          HB3       ALA  18  26.617   1.123   5.517
  142    H    VAL  19           HN       VAL  19  26.733  -0.483   4.080
  143    HA   VAL  19           HA       VAL  19  28.950  -1.981   4.677
  144    HB   VAL  19           HB       VAL  19  26.593  -2.589   2.909
  145   1HG1  VAL  19          HG11      VAL  19  29.060  -4.283   3.286
  146   2HG1  VAL  19          HG12      VAL  19  28.163  -3.957   1.803
  147   3HG1  VAL  19          HG13      VAL  19  27.484  -5.030   3.027
  148   1HG2  VAL  19          HG21      VAL  19  26.740  -2.540   5.544
  149   2HG2  VAL  19          HG22      VAL  19  27.497  -4.119   5.335
  150   3HG2  VAL  19          HG23      VAL  19  25.859  -3.841   4.743
  151    H    LYS  20           HN       LYS  20  28.012  -1.191   1.295
  152    HA   LYS  20           HA       LYS  20  30.479  -2.249   0.206
  153   1HB   LYS  20          HB2       LYS  20  28.532  -0.287  -1.041
  154   2HB   LYS  20          HB1       LYS  20  29.727  -1.264  -1.894
  155   1HG   LYS  20          HG2       LYS  20  28.601  -3.322  -1.100
  156   2HG   LYS  20          HG1       LYS  20  27.388  -2.332  -0.286
  157   1HD   LYS  20          HD2       LYS  20  27.933  -1.982  -3.229
  158   2HD   LYS  20          HD1       LYS  20  26.834  -3.238  -2.659
  159   1HE   LYS  20          HE2       LYS  20  25.433  -1.597  -1.556
  160   2HE   LYS  20          HE1       LYS  20  26.586  -0.311  -1.914
  161   1HZ   LYS  20          HZ1       LYS  20  26.166  -0.547  -4.232
  162   2HZ   LYS  20          HZ2       LYS  20  24.663  -0.410  -3.452
  163   3HZ   LYS  20          HZ3       LYS  20  25.210  -1.926  -3.988
  164    HN   LYN  21           HN       LYN  21  31.420  -0.668   2.191
  165    HA   LYN  21           HA       LYN  21  32.745   1.507   0.689
  166    HB1  LYN  21           HB1      LYN  21  32.301   3.138   2.516
  167    HB2  LYN  21           HB2      LYN  21  31.240   1.958   3.286
  168    HG1  LYN  21           HG1      LYN  21  29.621   2.132   1.614
  169    HG2  LYN  21           HG2      LYN  21  30.781   2.693   0.410
  170    HD1  LYN  21           HD1      LYN  21  30.384   4.428   2.798
  171    HD2  LYN  21           HD2      LYN  21  29.054   4.357   1.641
  172    HE1  LYN  21           HE1      LYN  21  30.340   5.262  -0.085
  173    HE2  LYN  21           HE2      LYN  21  31.861   4.748   0.644
  174    HZ1  LYN  21           HZ1      LYN  21  31.453   7.158   0.823
  175    HZ2  LYN  21           HZ2      LYN  21  31.624   6.403   2.336
  176    HZ3  LYN  21           HZ3      LYN  21  30.083   6.841   1.770
  177    H1   LYN  21           H1       LYN  21  33.494  -1.145   2.001
  178    H2   LYN  21           H2       LYN  21  34.741  -0.751   3.082
  Start of MODEL    2
    1   1H    HIS   1          HT1       HIS   1   2.295   2.952   1.404
    2   2H    HIS   1          HT2       HIS   1   1.820   1.859   0.193
    3   3H    HIS   1          HT3       HIS   1   0.812   3.162   0.609
    4    HA   HIS   1           HA       HIS   1   2.046   3.494  -1.502
    5   1HB   HIS   1          HB2       HIS   1   1.207   5.392  -0.135
    6   2HB   HIS   1          HB1       HIS   1   2.725   5.394   0.764
    7    HD1  HIS   1           HD1      HIS   1   3.671   7.607  -0.071
    8    HD2  HIS   1           HD2      HIS   1   2.568   5.058  -3.179
    9    HE1  HIS   1           HE1      HIS   1   4.555   8.652  -2.202
   10    H    SER   2           HN       SER   2   4.083   3.665  -2.513
   11    HA   SER   2           HA       SER   2   6.559   3.748  -1.045
   12   1HB   SER   2          HB2       SER   2   6.908   1.236  -2.226
   13   2HB   SER   2          HB1       SER   2   6.753   1.569  -0.503
   14    HG   SER   2           HG       SER   2   5.100   0.231  -0.870
   15    H    ASP   3           HN       ASP   3   8.425   3.697  -2.536
   16    HA   ASP   3           HA       ASP   3   7.909   3.417  -5.414
   17   1HB   ASP   3          HB2       ASP   3   7.122   5.752  -4.761
   18   2HB   ASP   3          HB1       ASP   3   8.804   6.110  -4.371
   19    H    GLY   4           HN       GLY   4   9.667   1.789  -4.470
   20   1HA   GLY   4          HA2       GLY   4  11.946   1.179  -4.653
   21   2HA   GLY   4          HA1       GLY   4  12.268   2.780  -5.329
   22    H    ILE   5           HN       ILE   5  13.322   4.210  -4.038
   23    HA   ILE   5           HA       ILE   5  14.550   3.672  -1.642
   24    HB   ILE   5           HB       ILE   5  15.062   5.735  -2.666
   25   1HG1  ILE   5          HG12      ILE   5  14.800   5.686  -0.062
   26   2HG1  ILE   5          HG11      ILE   5  15.013   7.239  -0.865
   27   1HG2  ILE   5          HG21      ILE   5  13.418   6.630  -3.911
   28   2HG2  ILE   5          HG22      ILE   5  12.863   7.414  -2.432
   29   3HG2  ILE   5          HG23      ILE   5  12.162   5.874  -2.931
   30   1HD1  ILE   5          HD11      ILE   5  12.939   6.572   0.869
   31   2HD1  ILE   5          HD12      ILE   5  12.200   6.453  -0.728
   32   3HD1  ILE   5          HD13      ILE   5  12.968   7.956  -0.223
   33    H    PHE   6           HN       PHE   6  11.141   4.349  -2.073
   34    HA   PHE   6           HA       PHE   6  10.800   4.275   0.890
   35   1HB   PHE   6          HB2       PHE   6   9.606   5.865  -1.146
   36   2HB   PHE   6          HB1       PHE   6   8.347   4.822  -0.484
   37    HD1  PHE   6           HD1      PHE   6   8.451   4.552   2.175
   38    HD2  PHE   6           HD2      PHE   6  10.039   7.866  -0.047
   39    HE1  PHE   6           HE1      PHE   6   8.342   5.968   4.210
   40    HE2  PHE   6           HE2      PHE   6   9.930   9.284   1.987
   41    HZ   PHE   6           HZ       PHE   6   9.083   8.334   4.116
   42    H    THR   7           HN       THR   7  11.181   1.850   0.692
   43    HA   THR   7           HA       THR   7   8.721   0.448   0.819
   44    HB   THR   7           HB       THR   7   8.707   0.787  -1.634
   45    HG1  THR   7           HG1      THR   7   7.906  -1.137  -1.811
   46   1HG2  THR   7          HG21      THR   7  11.470   0.123  -1.340
   47   2HG2  THR   7          HG22      THR   7  10.619   0.641  -2.795
   48   3HG2  THR   7          HG23      THR   7  10.720  -1.074  -2.397
   49    H    ASP   8           HN       ASP   8  10.009  -2.041  -0.396
   50    HA   ASP   8           HA       ASP   8  11.671  -2.609   1.985
   51   1HB   ASP   8          HB2       ASP   8   9.676  -4.065   0.889
   52   2HB   ASP   8          HB1       ASP   8  11.055  -4.768   0.043
   53    H    SER   9           HN       SER   9  11.833  -3.341  -1.531
   54    HA   SER   9           HA       SER   9  14.383  -4.305  -1.787
   55   1HB   SER   9          HB2       SER   9  14.459  -2.514  -3.819
   56   2HB   SER   9          HB1       SER   9  13.573  -4.030  -3.886
   57    HG   SER   9           HG       SER   9  11.973  -2.678  -4.269
   58    H    TYR  10           HN       TYR  10  13.823  -0.777  -2.084
   59    HA   TYR  10           HA       TYR  10  16.418   0.118  -1.896
   60   1HB   TYR  10          HB2       TYR  10  15.374   2.102  -1.834
   61   2HB   TYR  10          HB1       TYR  10  13.857   1.247  -1.638
   62    HD1  TYR  10           HD1      TYR  10  16.525   3.113   0.085
   63    HD2  TYR  10           HD2      TYR  10  12.831   0.975   0.573
   64    HE1  TYR  10           HE1      TYR  10  16.280   4.050   2.366
   65    HE2  TYR  10           HE2      TYR  10  12.586   1.912   2.852
   66    HH   TYR  10           HH       TYR  10  13.450   3.252   4.389
   67    H    SER  11           HN       SER  11  14.293  -0.555   0.892
   68    HA   SER  11           HA       SER  11  16.055   0.018   2.975
   69   1HB   SER  11          HB2       SER  11  13.737  -0.702   3.341
   70   2HB   SER  11          HB1       SER  11  14.126  -2.316   2.754
   71    HG   SER  11           HG       SER  11  14.205  -2.233   5.025
   72    H    ARG  12           HN       ARG  12  15.763  -3.054   1.185
   73    HA   ARG  12           HA       ARG  12  18.107  -4.202   2.471
   74   1HB   ARG  12          HB2       ARG  12  17.761  -6.081   1.050
   75   2HB   ARG  12          HB1       ARG  12  16.144  -5.484   1.407
   76   1HG   ARG  12          HG2       ARG  12  15.835  -4.644  -0.733
   77   2HG   ARG  12          HG1       ARG  12  17.559  -4.462  -1.038
   78   1HD   ARG  12          HD2       ARG  12  16.118  -7.115  -0.789
   79   2HD   ARG  12          HD1       ARG  12  16.579  -6.356  -2.313
   80    HE   ARG  12           HE       ARG  12  18.786  -6.767  -0.413
   81   1HH1  ARG  12          HH21      ARG  12  16.837  -8.844  -2.160
   82   2HH1  ARG  12          HH22      ARG  12  18.104  -9.505  -3.140
   83   1HH2  ARG  12          HH11      ARG  12  20.482  -7.218  -2.072
   84   2HH2  ARG  12          HH12      ARG  12  20.168  -8.583  -3.090
   85    H    TYR  13           HN       TYR  13  17.481  -2.173  -0.257
   86    HA   TYR  13           HA       TYR  13  20.149  -2.640  -1.429
   87   1HB   TYR  13          HB2       TYR  13  18.925  -2.193  -3.280
   88   2HB   TYR  13          HB1       TYR  13  17.586  -1.577  -2.322
   89    HD1  TYR  13           HD1      TYR  13  20.051  -0.736  -4.693
   90    HD2  TYR  13           HD2      TYR  13  17.995   0.842  -1.268
   91    HE1  TYR  13           HE1      TYR  13  20.604   1.568  -5.423
   92    HE2  TYR  13           HE2      TYR  13  18.547   3.145  -1.997
   93    HH   TYR  13           HH       TYR  13  20.793   4.003  -3.837
   94    H    ARG  14           HN       ARG  14  19.081  -0.979   1.170
   95    HA   ARG  14           HA       ARG  14  20.773   1.422   0.673
   96   1HB   ARG  14          HB2       ARG  14  18.327   1.396   1.715
   97   2HB   ARG  14          HB1       ARG  14  19.211   1.044   3.199
   98   1HG   ARG  14          HG2       ARG  14  20.737   3.054   2.349
   99   2HG   ARG  14          HG1       ARG  14  19.255   3.508   1.507
  100   1HD   ARG  14          HD2       ARG  14  18.538   4.427   3.435
  101   2HD   ARG  14          HD1       ARG  14  18.429   2.795   4.094
  102    HE   ARG  14           HE       ARG  14  20.890   3.152   4.768
  103   1HH1  ARG  14          HH11      ARG  14  18.289   5.126   5.454
  104   2HH1  ARG  14          HH12      ARG  14  19.221   6.467   6.031
  105   1HH2  ARG  14          HH21      ARG  14  22.258   5.134   5.020
  106   2HH2  ARG  14          HH22      ARG  14  21.467   6.472   5.785
  107    H    LYS  15           HN       LYS  15  20.138  -0.527   3.609
  108    HA   LYS  15           HA       LYS  15  22.473  -0.062   4.988
  109   1HB   LYS  15          HB2       LYS  15  20.901  -2.626   4.689
  110   2HB   LYS  15          HB1       LYS  15  22.269  -2.493   5.794
  111   1HG   LYS  15          HG2       LYS  15  20.644  -1.812   7.257
  112   2HG   LYS  15          HG1       LYS  15  20.917  -0.253   6.478
  113   1HD   LYS  15          HD2       LYS  15  19.013  -0.466   5.106
  114   2HD   LYS  15          HD1       LYS  15  18.923  -2.210   5.350
  115   1HE   LYS  15          HE2       LYS  15  18.744  -0.662   7.843
  116   2HE   LYS  15          HE1       LYS  15  17.420  -0.352   6.719
  117   1HZ   LYS  15          HZ1       LYS  15  17.827  -3.077   6.677
  118   2HZ   LYS  15          HZ2       LYS  15  16.533  -2.247   7.400
  119   3HZ   LYS  15          HZ3       LYS  15  17.909  -2.643   8.315
  120    H    GLN  16           HN       GLN  16  22.070  -2.564   2.463
  121    HA   GLN  16           HA       GLN  16  24.578  -3.737   2.462
  122   1HB   GLN  16          HB2       GLN  16  22.864  -2.890   0.114
  123   2HB   GLN  16          HB1       GLN  16  24.354  -3.810  -0.091
  124   1HG   GLN  16          HG2       GLN  16  21.924  -4.647   1.517
  125   2HG   GLN  16          HG1       GLN  16  22.492  -5.369   0.011
  126   1HE2  GLN  16          HE21      GLN  16  24.754  -6.368   0.114
  127   2HE2  GLN  16          HE22      GLN  16  25.249  -7.068   1.579
  128    H    MET  17           HN       MET  17  23.740  -0.644   0.881
  129    HA   MET  17           HA       MET  17  26.146   0.031  -0.302
  130   1HB   MET  17          HB2       MET  17  24.271   1.787   1.299
  131   2HB   MET  17          HB1       MET  17  25.614   2.425   0.349
  132   1HG   MET  17          HG2       MET  17  24.456   0.793  -1.490
  133   2HG   MET  17          HG1       MET  17  23.038   1.278  -0.560
  134   1HE   MET  17          HE1       MET  17  22.470   2.144  -3.138
  135   2HE   MET  17          HE2       MET  17  24.126   1.844  -3.660
  136   3HE   MET  17          HE3       MET  17  23.394   3.422  -3.939
  137    H    ALA  18           HN       ALA  18  25.439   1.383   2.918
  138    HA   ALA  18           HA       ALA  18  27.989   2.085   3.673
  139   1HB   ALA  18          HB1       ALA  18  27.254   1.381   6.059
  140   2HB   ALA  18          HB2       ALA  18  25.730   0.931   5.294
  141   3HB   ALA  18          HB3       ALA  18  26.293   2.601   5.224
  142    H    VAL  19           HN       VAL  19  26.574  -1.104   4.408
  143    HA   VAL  19           HA       VAL  19  28.727  -2.415   5.517
  144    HB   VAL  19           HB       VAL  19  26.650  -3.343   3.550
  145   1HG1  VAL  19          HG11      VAL  19  29.138  -4.796   4.371
  146   2HG1  VAL  19          HG12      VAL  19  28.263  -4.852   2.841
  147   3HG1  VAL  19          HG13      VAL  19  27.635  -5.711   4.247
  148   1HG2  VAL  19          HG21      VAL  19  25.800  -3.189   5.741
  149   2HG2  VAL  19          HG22      VAL  19  27.310  -3.741   6.466
  150   3HG2  VAL  19          HG23      VAL  19  26.265  -4.886   5.625
  151    H    LYS  20           HN       LYS  20  28.259  -2.067   1.963
  152    HA   LYS  20           HA       LYS  20  30.954  -3.105   1.465
  153   1HB   LYS  20          HB2       LYS  20  29.144  -1.766  -0.549
  154   2HB   LYS  20          HB1       LYS  20  30.397  -2.973  -0.841
  155   1HG   LYS  20          HG2       LYS  20  29.103  -4.709   0.155
  156   2HG   LYS  20          HG1       LYS  20  27.975  -3.557   0.871
  157   1HD   LYS  20          HD2       LYS  20  28.343  -3.845  -2.118
  158   2HD   LYS  20          HD1       LYS  20  27.131  -4.751  -1.212
  159   1HE   LYS  20          HE2       LYS  20  25.890  -2.849  -0.703
  160   2HE   LYS  20          HE1       LYS  20  27.281  -1.776  -0.863
  161   1HZ   LYS  20          HZ1       LYS  20  25.401  -2.057  -2.732
  162   2HZ   LYS  20          HZ2       LYS  20  26.529  -3.211  -3.265
  163   3HZ   LYS  20          HZ3       LYS  20  26.997  -1.591  -3.066
  164    HN   LYN  21           HN       LYN  21  30.320  -0.390   2.881
  165    HA   LYN  21           HA       LYN  21  32.639   0.997   1.971
  166    HB1  LYN  21           HB1      LYN  21  31.289   1.449  -0.035
  167    HB2  LYN  21           HB2      LYN  21  31.559   2.939   0.871
  168    HG1  LYN  21           HG1      LYN  21  29.206   1.707   1.912
  169    HG2  LYN  21           HG2      LYN  21  29.066   1.723   0.154
  170    HD1  LYN  21           HD1      LYN  21  30.024   4.185   1.583
  171    HD2  LYN  21           HD2      LYN  21  28.298   3.823   1.547
  172    HE1  LYN  21           HE1      LYN  21  30.041   3.913  -0.931
  173    HE2  LYN  21           HE2      LYN  21  29.105   5.290  -0.352
  174    HZ1  LYN  21           HZ1      LYN  21  28.105   2.673  -1.305
  175    HZ2  LYN  21           HZ2      LYN  21  27.751   4.219  -1.913
  176    HZ3  LYN  21           HZ3      LYN  21  27.134   3.734  -0.405
  177    H1   LYN  21           H1       LYN  21  31.666   0.358   4.532
  178    H2   LYN  21           H2       LYN  21  31.237   1.782   5.349
  Start of MODEL    3
    1   1H    HIS   1          HT1       HIS   1   0.621   4.374  -0.676
    2   2H    HIS   1          HT2       HIS   1   2.130   5.114  -0.433
    3   3H    HIS   1          HT3       HIS   1   1.823   3.573   0.213
    4    HA   HIS   1           HA       HIS   1   1.612   2.667  -2.034
    5   1HB   HIS   1          HB2       HIS   1   0.931   4.897  -3.021
    6   2HB   HIS   1          HB1       HIS   1   2.620   5.389  -2.904
    7    HD1  HIS   1           HD1      HIS   1   2.985   5.451  -5.465
    8    HD2  HIS   1           HD2      HIS   1   1.730   1.734  -4.056
    9    HE1  HIS   1           HE1      HIS   1   3.304   3.817  -7.373
   10    H    SER   2           HN       SER   2   3.499   1.643  -2.815
   11    HA   SER   2           HA       SER   2   6.144   2.742  -2.327
   12   1HB   SER   2          HB2       SER   2   4.999   0.660  -0.484
   13   2HB   SER   2          HB1       SER   2   6.726   0.685  -0.823
   14    HG   SER   2           HG       SER   2   6.378   1.991   0.935
   15    H    ASP   3           HN       ASP   3   7.848   1.159  -3.055
   16    HA   ASP   3           HA       ASP   3   7.012  -1.293  -4.388
   17   1HB   ASP   3          HB2       ASP   3   6.244   0.627  -5.906
   18   2HB   ASP   3          HB1       ASP   3   7.956   0.923  -6.202
   19    H    GLY   4           HN       GLY   4   8.925  -1.600  -2.718
   20   1HA   GLY   4          HA2       GLY   4  11.183  -2.287  -2.547
   21   2HA   GLY   4          HA1       GLY   4  11.370  -1.929  -4.266
   22    H    ILE   5           HN       ILE   5  12.525  -0.134  -4.791
   23    HA   ILE   5           HA       ILE   5  14.071   1.378  -3.108
   24    HB   ILE   5           HB       ILE   5  14.365   1.744  -5.417
   25   1HG1  ILE   5          HG12      ILE   5  14.417   3.832  -3.841
   26   2HG1  ILE   5          HG11      ILE   5  14.460   4.085  -5.584
   27   1HG2  ILE   5          HG21      ILE   5  12.425   2.841  -6.735
   28   2HG2  ILE   5          HG22      ILE   5  11.409   2.307  -5.396
   29   3HG2  ILE   5          HG23      ILE   5  12.302   1.124  -6.351
   30   1HD1  ILE   5          HD11      ILE   5  12.633   5.218  -3.806
   31   2HD1  ILE   5          HD12      ILE   5  11.723   3.923  -4.582
   32   3HD1  ILE   5          HD13      ILE   5  12.483   5.176  -5.562
   33    H    PHE   6           HN       PHE   6  10.610   1.717  -3.531
   34    HA   PHE   6           HA       PHE   6  10.667   4.057  -1.679
   35   1HB   PHE   6          HB2       PHE   6   9.163   3.497  -4.034
   36   2HB   PHE   6          HB1       PHE   6   8.040   3.529  -2.673
   37    HD1  PHE   6           HD1      PHE   6   8.755   5.462  -0.857
   38    HD2  PHE   6           HD2      PHE   6   9.474   5.533  -5.089
   39    HE1  PHE   6           HE1      PHE   6   8.904   7.938  -0.789
   40    HE2  PHE   6           HE2      PHE   6   9.622   8.009  -5.025
   41    HZ   PHE   6           HZ       PHE   6   9.337   9.212  -2.874
   42    H    THR   7           HN       THR   7  11.089   2.413   0.097
   43    HA   THR   7           HA       THR   7   8.707   1.857   1.536
   44    HB   THR   7           HB       THR   7   8.389   0.111  -0.189
   45    HG1  THR   7           HG1      THR   7   7.866  -0.179   2.110
   46   1HG2  THR   7          HG21      THR   7  10.138  -1.058  -0.961
   47   2HG2  THR   7          HG22      THR   7  10.405  -1.734   0.646
   48   3HG2  THR   7          HG23      THR   7  11.189  -0.224   0.183
   49    H    ASP   8           HN       ASP   8   9.963  -0.715   2.645
   50    HA   ASP   8           HA       ASP   8  11.913   0.723   4.348
   51   1HB   ASP   8          HB2       ASP   8  10.111  -0.445   5.516
   52   2HB   ASP   8          HB1       ASP   8  10.544  -1.954   4.713
   53    H    SER   9           HN       SER   9  11.662  -2.548   2.883
   54    HA   SER   9           HA       SER   9  14.195  -3.512   3.214
   55   1HB   SER   9          HB2       SER   9  13.965  -4.178   0.636
   56   2HB   SER   9          HB1       SER   9  13.018  -4.953   1.899
   57    HG   SER   9           HG       SER   9  11.280  -4.000   1.169
   58    H    TYR  10           HN       TYR  10  13.427  -1.532   0.308
   59    HA   TYR  10           HA       TYR  10  16.005  -1.109  -0.604
   60   1HB   TYR  10          HB2       TYR  10  14.916   0.239  -2.031
   61   2HB   TYR  10          HB1       TYR  10  13.470   0.030  -1.062
   62    HD1  TYR  10           HD1      TYR  10  12.766   1.729   0.548
   63    HD2  TYR  10           HD2      TYR  10  16.338   2.235  -1.784
   64    HE1  TYR  10           HE1      TYR  10  12.841   4.123   1.185
   65    HE2  TYR  10           HE2      TYR  10  16.412   4.630  -1.146
   66    HH   TYR  10           HH       TYR  10  14.608   6.387  -0.387
   67    H    SER  11           HN       SER  11  14.316   0.901   1.812
   68    HA   SER  11           HA       SER  11  16.342   2.716   2.417
   69   1HB   SER  11          HB2       SER  11  14.123   2.819   3.442
   70   2HB   SER  11          HB1       SER  11  14.435   1.326   4.325
   71    HG   SER  11           HG       SER  11  14.818   3.269   5.553
   72    H    ARG  12           HN       ARG  12  15.865  -0.509   3.882
   73    HA   ARG  12           HA       ARG  12  18.410  -0.404   5.293
   74   1HB   ARG  12          HB2       ARG  12  17.899  -2.617   6.025
   75   2HB   ARG  12          HB1       ARG  12  16.341  -1.801   5.934
   76   1HG   ARG  12          HG2       ARG  12  15.750  -2.904   3.941
   77   2HG   ARG  12          HG1       ARG  12  17.408  -3.391   3.599
   78   1HD   ARG  12          HD2       ARG  12  15.659  -4.415   5.852
   79   2HD   ARG  12          HD1       ARG  12  16.160  -5.317   4.422
   80    HE   ARG  12           HE       ARG  12  17.743  -4.944   6.799
   81   1HH1  ARG  12          HH11      ARG  12  17.761  -6.732   4.107
   82   2HH1  ARG  12          HH12      ARG  12  19.439  -6.553   3.714
   83   1HH2  ARG  12          HH21      ARG  12  19.969  -3.982   5.979
   84   2HH2  ARG  12          HH22      ARG  12  20.689  -4.996   4.773
   85    H    TYR  13           HN       TYR  13  17.327  -1.282   2.144
   86    HA   TYR  13           HA       TYR  13  19.758  -2.835   1.529
   87   1HB   TYR  13          HB2       TYR  13  18.207  -3.855   0.229
   88   2HB   TYR  13          HB1       TYR  13  17.073  -2.524   0.415
   89    HD1  TYR  13           HD1      TYR  13  19.128  -4.275  -1.865
   90    HD2  TYR  13           HD2      TYR  13  17.660  -0.338  -0.973
   91    HE1  TYR  13           HE1      TYR  13  19.580  -3.578  -4.200
   92    HE2  TYR  13           HE2      TYR  13  18.114   0.360  -3.307
   93    HH   TYR  13           HH       TYR  13  18.949  -0.234  -5.274
   94    H    ARG  14           HN       ARG  14  19.106   0.366   1.831
   95    HA   ARG  14           HA       ARG  14  20.716   1.169  -0.543
   96   1HB   ARG  14          HB2       ARG  14  18.437   2.280   0.372
   97   2HB   ARG  14          HB1       ARG  14  19.602   3.214   1.311
   98   1HG   ARG  14          HG2       ARG  14  20.847   3.537  -0.937
   99   2HG   ARG  14          HG1       ARG  14  19.338   3.014  -1.685
  100   1HD   ARG  14          HD2       ARG  14  18.414   5.038  -1.352
  101   2HD   ARG  14          HD1       ARG  14  18.786   4.965   0.370
  102    HE   ARG  14           HE       ARG  14  20.799   6.190  -0.047
  103   1HH1  ARG  14          HH21      ARG  14  20.294   4.606  -2.929
  104   2HH1  ARG  14          HH22      ARG  14  20.678   5.948  -3.954
  105   1HH2  ARG  14          HH11      ARG  14  20.787   8.242  -1.356
  106   2HH2  ARG  14          HH12      ARG  14  20.957   8.007  -3.063
  107    H    LYS  15           HN       LYS  15  20.506   2.494   2.774
  108    HA   LYS  15           HA       LYS  15  23.071   3.523   2.966
  109   1HB   LYS  15          HB2       LYS  15  21.363   2.167   5.061
  110   2HB   LYS  15          HB1       LYS  15  22.905   2.926   5.457
  111   1HG   LYS  15          HG2       LYS  15  21.568   4.764   5.766
  112   2HG   LYS  15          HG1       LYS  15  21.794   4.923   4.024
  113   1HD   LYS  15          HD2       LYS  15  19.642   4.338   3.562
  114   2HD   LYS  15          HD1       LYS  15  19.601   3.113   4.831
  115   1HE   LYS  15          HE2       LYS  15  19.265   4.800   6.535
  116   2HE   LYS  15          HE1       LYS  15  19.503   6.095   5.361
  117   1HZ   LYS  15          HZ1       LYS  15  17.315   4.088   5.289
  118   2HZ   LYS  15          HZ2       LYS  15  17.540   5.358   4.182
  119   3HZ   LYS  15          HZ3       LYS  15  17.156   5.696   5.802
  120    H    GLN  16           HN       GLN  16  22.125   0.184   3.850
  121    HA   GLN  16           HA       GLN  16  24.561  -0.862   4.639
  122   1HB   GLN  16          HB2       GLN  16  22.458  -2.115   2.854
  123   2HB   GLN  16          HB1       GLN  16  23.832  -3.016   3.492
  124   1HG   GLN  16          HG2       GLN  16  21.631  -1.657   5.066
  125   2HG   GLN  16          HG1       GLN  16  22.013  -3.379   5.016
  126   1HE2  GLN  16          HE21      GLN  16  22.034  -1.406   7.354
  127   2HE2  GLN  16          HE22      GLN  16  23.586  -1.561   8.023
  128    H    MET  17           HN       MET  17  23.567  -0.059   1.344
  129    HA   MET  17           HA       MET  17  25.515  -1.294  -0.196
  130   1HB   MET  17          HB2       MET  17  24.489   1.550  -0.410
  131   2HB   MET  17          HB1       MET  17  25.437   0.749  -1.664
  132   1HG   MET  17          HG2       MET  17  23.110  -0.787  -0.669
  133   2HG   MET  17          HG1       MET  17  22.716   0.682  -1.561
  134   1HE   MET  17          HE1       MET  17  21.700  -0.143  -3.678
  135   2HE   MET  17          HE2       MET  17  21.572  -1.641  -2.761
  136   3HE   MET  17          HE3       MET  17  22.132  -1.684  -4.431
  137    H    ALA  18           HN       ALA  18  26.025   2.117   0.681
  138    HA   ALA  18           HA       ALA  18  28.759   2.235   0.323
  139   1HB   ALA  18          HB1       ALA  18  28.762   3.923   2.246
  140   2HB   ALA  18          HB2       ALA  18  27.052   3.541   2.445
  141   3HB   ALA  18          HB3       ALA  18  27.628   4.245   0.934
  142    H    VAL  19           HN       VAL  19  27.247   1.513   3.468
  143    HA   VAL  19           HA       VAL  19  29.426   0.872   5.011
  144    HB   VAL  19           HB       VAL  19  26.715  -0.413   4.800
  145   1HG1  VAL  19          HG11      VAL  19  27.451  -1.616   7.004
  146   2HG1  VAL  19          HG12      VAL  19  29.082  -1.432   6.358
  147   3HG1  VAL  19          HG13      VAL  19  27.874  -2.346   5.455
  148   1HG2  VAL  19          HG21      VAL  19  27.968   0.744   7.270
  149   2HG2  VAL  19          HG22      VAL  19  26.280   0.769   6.759
  150   3HG2  VAL  19          HG23      VAL  19  27.450   1.841   5.989
  151    H    LYS  20           HN       LYS  20  27.859  -1.511   2.812
  152    HA   LYS  20           HA       LYS  20  30.063  -3.387   3.136
  153   1HB   LYS  20          HB2       LYS  20  27.906  -3.376   1.006
  154   2HB   LYS  20          HB1       LYS  20  28.879  -4.752   1.528
  155   1HG   LYS  20          HG2       LYS  20  27.860  -4.726   3.721
  156   2HG   LYS  20          HG1       LYS  20  27.014  -3.221   3.360
  157   1HD   LYS  20          HD2       LYS  20  26.597  -5.846   1.899
  158   2HD   LYS  20          HD1       LYS  20  25.519  -5.187   3.131
  159   1HE   LYS  20          HE2       LYS  20  25.292  -3.119   1.691
  160   2HE   LYS  20          HE1       LYS  20  26.163  -3.986   0.426
  161   1HZ   LYS  20          HZ1       LYS  20  24.418  -5.787   0.774
  162   2HZ   LYS  20          HZ2       LYS  20  23.931  -4.374  -0.034
  163   3HZ   LYS  20          HZ3       LYS  20  23.523  -4.606   1.599
  164    HN   LYN  21           HN       LYN  21  30.270  -4.169   0.342
  165    HA   LYN  21           HA       LYN  21  31.347  -1.822  -1.069
  166    HB1  LYN  21           HB1      LYN  21  33.592  -3.067  -1.339
  167    HB2  LYN  21           HB2      LYN  21  33.090  -4.014   0.062
  168    HG1  LYN  21           HG1      LYN  21  34.465  -2.081   0.750
  169    HG2  LYN  21           HG2      LYN  21  32.819  -1.932   1.366
  170    HD1  LYN  21           HD1      LYN  21  32.275  -0.230  -0.130
  171    HD2  LYN  21           HD2      LYN  21  33.497  -0.730  -1.300
  172    HE1  LYN  21           HE1      LYN  21  34.342   0.259   1.411
  173    HE2  LYN  21           HE2      LYN  21  33.906   1.419   0.156
  174    HZ1  LYN  21           HZ1      LYN  21  35.654   0.805  -1.155
  175    HZ2  LYN  21           HZ2      LYN  21  35.750  -0.764  -0.510
  176    HZ3  LYN  21           HZ3      LYN  21  36.341   0.559   0.377
  177    H1   LYN  21           H1       LYN  21  29.315  -4.061  -1.486
  178    H2   LYN  21           H2       LYN  21  29.767  -4.782  -2.954
  Start of MODEL    4
    1   1H    HIS   1          HT1       HIS   1   0.419   0.844   1.842
    2   2H    HIS   1          HT2       HIS   1   2.070   0.583   2.147
    3   3H    HIS   1          HT3       HIS   1   1.170  -0.568   1.279
    4    HA   HIS   1           HA       HIS   1   0.885   0.933  -0.554
    5   1HB   HIS   1          HB2       HIS   1   0.838   2.976   0.949
    6   2HB   HIS   1          HB1       HIS   1   2.597   2.871   1.027
    7    HD1  HIS   1           HD1      HIS   1   2.295   5.319  -0.224
    8    HD2  HIS   1           HD2      HIS   1   1.434   1.919  -2.476
    9    HE1  HIS   1           HE1      HIS   1   2.349   6.036  -2.653
   10    H    SER   2           HN       SER   2   3.980   1.624   1.089
   11    HA   SER   2           HA       SER   2   6.162   1.015   0.514
   12   1HB   SER   2          HB2       SER   2   5.016  -1.402  -0.872
   13   2HB   SER   2          HB1       SER   2   6.533  -1.255   0.010
   14    HG   SER   2           HG       SER   2   5.444  -1.285   1.899
   15    H    ASP   3           HN       ASP   3   7.624   1.014  -1.360
   16    HA   ASP   3           HA       ASP   3   6.757   0.830  -4.071
   17   1HB   ASP   3          HB2       ASP   3   5.500   2.921  -3.179
   18   2HB   ASP   3          HB1       ASP   3   7.075   3.710  -3.253
   19    H    GLY   4           HN       GLY   4   9.000  -0.241  -3.673
   20   1HA   GLY   4          HA2       GLY   4  11.311  -0.166  -4.156
   21   2HA   GLY   4          HA1       GLY   4  11.080   1.496  -4.707
   22    H    ILE   5           HN       ILE   5  11.915   3.077  -3.436
   23    HA   ILE   5           HA       ILE   5  13.571   2.778  -1.272
   24    HB   ILE   5           HB       ILE   5  13.368   4.968  -2.113
   25   1HG1  ILE   5          HG12      ILE   5  11.941   4.885   0.567
   26   2HG1  ILE   5          HG11      ILE   5  13.677   5.047   0.304
   27   1HG2  ILE   5          HG21      ILE   5  11.145   6.176  -2.025
   28   2HG2  ILE   5          HG22      ILE   5  10.409   4.635  -1.586
   29   3HG2  ILE   5          HG23      ILE   5  11.209   4.817  -3.147
   30   1HD1  ILE   5          HD11      ILE   5  11.495   7.053  -0.190
   31   2HD1  ILE   5          HD12      ILE   5  12.991   7.142  -1.119
   32   3HD1  ILE   5          HD13      ILE   5  13.036   7.269   0.640
   33    H    PHE   6           HN       PHE   6  10.078   2.488  -1.204
   34    HA   PHE   6           HA       PHE   6  10.226   2.110   1.754
   35   1HB   PHE   6          HB2       PHE   6   8.211   3.232  -0.067
   36   2HB   PHE   6          HB1       PHE   6   7.552   2.102   1.118
   37    HD1  PHE   6           HD1      PHE   6   7.122   2.824   3.292
   38    HD2  PHE   6           HD2      PHE   6   9.898   5.006   0.850
   39    HE1  PHE   6           HE1      PHE   6   7.307   4.560   5.058
   40    HE2  PHE   6           HE2      PHE   6  10.085   6.744   2.613
   41    HZ   PHE   6           HZ       PHE   6   8.790   6.520   4.718
   42    H    THR   7           HN       THR   7  11.171  -0.098   1.234
   43    HA   THR   7           HA       THR   7   9.187  -2.115   1.485
   44    HB   THR   7           HB       THR   7   8.771  -1.598  -0.906
   45    HG1  THR   7           HG1      THR   7   8.560  -3.739  -0.084
   46   1HG2  THR   7          HG21      THR   7  10.474  -1.200  -2.308
   47   2HG2  THR   7          HG22      THR   7  11.112  -2.818  -2.019
   48   3HG2  THR   7          HG23      THR   7  11.605  -1.478  -0.983
   49    H    ASP   8           HN       ASP   8  10.984  -4.007  -0.186
   50    HA   ASP   8           HA       ASP   8  12.999  -4.288   1.971
   51   1HB   ASP   8          HB2       ASP   8  11.714  -6.285   1.608
   52   2HB   ASP   8          HB1       ASP   8  11.983  -6.208  -0.133
   53    H    SER   9           HN       SER   9  12.946  -4.784  -1.587
   54    HA   SER   9           HA       SER   9  15.606  -4.920  -2.177
   55   1HB   SER   9          HB2       SER   9  14.973  -3.177  -4.103
   56   2HB   SER   9          HB1       SER   9  14.421  -4.846  -4.123
   57    HG   SER   9           HG       SER   9  12.892  -2.823  -4.245
   58    H    TYR  10           HN       TYR  10  13.998  -1.706  -2.041
   59    HA   TYR  10           HA       TYR  10  16.249  -0.102  -2.112
   60   1HB   TYR  10          HB2       TYR  10  14.707   1.487  -1.739
   61   2HB   TYR  10          HB1       TYR  10  13.536   0.222  -1.419
   62    HD1  TYR  10           HD1      TYR  10  15.819   2.686   0.090
   63    HD2  TYR  10           HD2      TYR  10  12.984  -0.445   0.879
   64    HE1  TYR  10           HE1      TYR  10  15.689   3.396   2.462
   65    HE2  TYR  10           HE2      TYR  10  12.855   0.266   3.249
   66    HH   TYR  10           HH       TYR  10  13.916   3.193   4.348
   67    H    SER  11           HN       SER  11  14.821  -1.521   0.836
   68    HA   SER  11           HA       SER  11  16.660  -0.581   2.716
   69   1HB   SER  11          HB2       SER  11  14.701  -1.893   3.344
   70   2HB   SER  11          HB1       SER  11  15.361  -3.317   2.542
   71    HG   SER  11           HG       SER  11  15.777  -3.338   4.791
   72    H    ARG  12           HN       ARG  12  16.920  -3.585   0.787
   73    HA   ARG  12           HA       ARG  12  19.652  -4.078   1.643
   74   1HB   ARG  12          HB2       ARG  12  19.617  -5.918   0.126
   75   2HB   ARG  12          HB1       ARG  12  17.968  -5.807   0.735
   76   1HG   ARG  12          HG2       ARG  12  17.175  -4.834  -1.259
   77   2HG   ARG  12          HG1       ARG  12  18.793  -4.415  -1.814
   78   1HD   ARG  12          HD2       ARG  12  17.909  -6.383  -3.023
   79   2HD   ARG  12          HD1       ARG  12  19.334  -6.800  -2.071
   80    HE   ARG  12           HE       ARG  12  16.919  -7.246  -0.552
   81   1HH1  ARG  12          HH11      ARG  12  17.320  -8.433  -3.574
   82   2HH1  ARG  12          HH12      ARG  12  17.550 -10.091  -3.129
   83   1HH2  ARG  12          HH21      ARG  12  17.900  -9.410   0.253
   84   2HH2  ARG  12          HH22      ARG  12  17.878 -10.644  -0.962
   85    H    TYR  13           HN       TYR  13  18.113  -2.162  -0.773
   86    HA   TYR  13           HA       TYR  13  20.583  -1.829  -2.355
   87   1HB   TYR  13          HB2       TYR  13  18.977  -1.640  -3.944
   88   2HB   TYR  13          HB1       TYR  13  17.715  -1.407  -2.742
   89    HD1  TYR  13           HD1      TYR  13  19.534   0.117  -5.363
   90    HD2  TYR  13           HD2      TYR  13  17.675   0.980  -1.589
   91    HE1  TYR  13           HE1      TYR  13  19.415   2.516  -5.971
   92    HE2  TYR  13           HE2      TYR  13  17.557   3.380  -2.196
   93    HH   TYR  13           HH       TYR  13  17.650   4.563  -5.033
   94    H    ARG  14           HN       ARG  14  19.484  -0.639   0.504
   95    HA   ARG  14           HA       ARG  14  20.590   2.093   0.023
   96   1HB   ARG  14          HB2       ARG  14  18.215   1.476   1.152
   97   2HB   ARG  14          HB1       ARG  14  19.236   1.452   2.591
   98   1HG   ARG  14          HG2       ARG  14  20.160   3.717   1.647
   99   2HG   ARG  14          HG1       ARG  14  18.657   3.736   0.725
  100   1HD   ARG  14          HD2       ARG  14  17.766   4.690   2.583
  101   2HD   ARG  14          HD1       ARG  14  17.762   3.049   3.228
  102    HE   ARG  14           HE       ARG  14  20.271   3.895   3.888
  103   1HH1  ARG  14          HH21      ARG  14  17.268   4.166   5.212
  104   2HH1  ARG  14          HH22      ARG  14  17.589   5.575   6.167
  105   1HH2  ARG  14          HH11      ARG  14  20.649   6.219   4.669
  106   2HH2  ARG  14          HH12      ARG  14  19.503   6.737   5.859
  107    H    LYS  15           HN       LYS  15  20.388   0.012   2.927
  108    HA   LYS  15           HA       LYS  15  22.584   0.860   4.322
  109   1HB   LYS  15          HB2       LYS  15  22.225  -2.108   3.945
  110   2HB   LYS  15          HB1       LYS  15  22.656  -1.226   5.409
  111   1HG   LYS  15          HG2       LYS  15  19.954  -1.409   4.068
  112   2HG   LYS  15          HG1       LYS  15  20.384  -1.854   5.719
  113   1HD   LYS  15          HD2       LYS  15  21.067   0.694   5.895
  114   2HD   LYS  15          HD1       LYS  15  19.946   0.868   4.545
  115   1HE   LYS  15          HE2       LYS  15  18.109   0.197   5.804
  116   2HE   LYS  15          HE1       LYS  15  19.096  -0.718   6.944
  117   1HZ   LYS  15          HZ1       LYS  15  19.286   2.225   6.729
  118   2HZ   LYS  15          HZ2       LYS  15  19.803   1.222   7.999
  119   3HZ   LYS  15          HZ3       LYS  15  18.144   1.478   7.737
  120    H    GLN  16           HN       GLN  16  22.704  -1.438   1.594
  121    HA   GLN  16           HA       GLN  16  25.382  -2.129   1.550
  122   1HB   GLN  16          HB2       GLN  16  23.580  -1.346  -0.754
  123   2HB   GLN  16          HB1       GLN  16  25.209  -1.973  -0.998
  124   1HG   GLN  16          HG2       GLN  16  22.918  -3.374   0.404
  125   2HG   GLN  16          HG1       GLN  16  23.671  -3.838  -1.122
  126   1HE2  GLN  16          HE21      GLN  16  23.524  -5.344   1.522
  127   2HE2  GLN  16          HE22      GLN  16  25.139  -5.702   1.902
  128    H    MET  17           HN       MET  17  24.020   0.893   0.207
  129    HA   MET  17           HA       MET  17  26.288   2.125  -0.774
  130   1HB   MET  17          HB2       MET  17  24.201   3.451   0.981
  131   2HB   MET  17          HB1       MET  17  25.284   4.280  -0.138
  132   1HG   MET  17          HG2       MET  17  23.187   2.219  -0.882
  133   2HG   MET  17          HG1       MET  17  23.095   3.953  -1.190
  134   1HE   MET  17          HE1       MET  17  23.339   3.487  -4.530
  135   2HE   MET  17          HE2       MET  17  22.345   2.953  -3.177
  136   3HE   MET  17          HE3       MET  17  23.201   1.763  -4.155
  137    H    ALA  18           HN       ALA  18  25.226   2.942   2.533
  138    HA   ALA  18           HA       ALA  18  27.577   4.030   3.482
  139   1HB   ALA  18          HB1       ALA  18  26.924   3.120   5.745
  140   2HB   ALA  18          HB2       ALA  18  25.654   2.201   4.937
  141   3HB   ALA  18          HB3       ALA  18  25.626   3.965   4.902
  142    H    VAL  19           HN       VAL  19  26.751   0.581   3.836
  143    HA   VAL  19           HA       VAL  19  29.065  -0.451   4.899
  144    HB   VAL  19           HB       VAL  19  27.249  -1.500   2.742
  145   1HG1  VAL  19          HG11      VAL  19  28.655  -3.717   3.270
  146   2HG1  VAL  19          HG12      VAL  19  29.952  -2.539   3.472
  147   3HG1  VAL  19          HG13      VAL  19  29.085  -2.643   1.939
  148   1HG2  VAL  19          HG21      VAL  19  26.691  -1.482   5.227
  149   2HG2  VAL  19          HG22      VAL  19  28.007  -2.635   5.449
  150   3HG2  VAL  19          HG23      VAL  19  26.615  -3.066   4.455
  151    H    LYS  20           HN       LYS  20  28.655   0.113   1.365
  152    HA   LYS  20           HA       LYS  20  31.535  -0.257   0.951
  153   1HB   LYS  20          HB2       LYS  20  29.534   0.800  -1.055
  154   2HB   LYS  20          HB1       LYS  20  31.057  -0.031  -1.376
  155   1HG   LYS  20          HG2       LYS  20  30.204  -2.119  -0.712
  156   2HG   LYS  20          HG1       LYS  20  28.875  -1.391   0.192
  157   1HD   LYS  20          HD2       LYS  20  29.177  -1.306  -2.825
  158   2HD   LYS  20          HD1       LYS  20  28.099  -2.390  -1.945
  159   1HE   LYS  20          HE2       LYS  20  26.533  -0.777  -1.932
  160   2HE   LYS  20          HE1       LYS  20  27.610   0.227  -0.962
  161   1HZ   LYS  20          HZ1       LYS  20  27.828   0.039  -3.908
  162   2HZ   LYS  20          HZ2       LYS  20  28.532   1.192  -2.878
  163   3HZ   LYS  20          HZ3       LYS  20  26.853   1.195  -3.140
  164    HN   LYN  21           HN       LYN  21  31.180   1.804   2.752
  165    HA   LYN  21           HA       LYN  21  32.074   4.138   1.133
  166    HB1  LYN  21           HB1      LYN  21  30.764   5.650   2.604
  167    HB2  LYN  21           HB2      LYN  21  30.062   4.243   3.403
  168    HG1  LYN  21           HG1      LYN  21  28.466   4.230   1.810
  169    HG2  LYN  21           HG2      LYN  21  29.714   3.800   0.641
  170    HD1  LYN  21           HD1      LYN  21  28.556   5.813  -0.117
  171    HD2  LYN  21           HD2      LYN  21  30.208   6.231   0.341
  172    HE1  LYN  21           HE1      LYN  21  29.043   6.630   2.714
  173    HE2  LYN  21           HE2      LYN  21  27.629   6.901   1.695
  174    HZ1  LYN  21           HZ1      LYN  21  29.174   8.405   0.359
  175    HZ2  LYN  21           HZ2      LYN  21  30.195   8.362   1.717
  176    HZ3  LYN  21           HZ3      LYN  21  28.618   8.979   1.855
  177    H1   LYN  21           H1       LYN  21  33.540   2.125   2.798
  178    H2   LYN  21           H2       LYN  21  34.305   3.013   4.026
  Start of MODEL    5
    1   1H    HIS   1          HT1       HIS   1   1.595   6.592   1.585
    2   2H    HIS   1          HT2       HIS   1   3.215   7.023   1.312
    3   3H    HIS   1          HT3       HIS   1   2.833   5.820   2.449
    4    HA   HIS   1           HA       HIS   1   1.944   4.421   0.656
    5   1HB   HIS   1          HB2       HIS   1   1.472   6.412  -0.840
    6   2HB   HIS   1          HB1       HIS   1   3.205   6.491  -1.161
    7    HD1  HIS   1           HD1      HIS   1   0.506   3.780  -1.227
    8    HD2  HIS   1           HD2      HIS   1   3.877   4.983  -3.363
    9    HE1  HIS   1           HE1      HIS   1   0.719   2.189  -3.187
   10    H    SER   2           HN       SER   2   3.548   3.173  -0.810
   11    HA   SER   2           HA       SER   2   6.383   3.697  -0.346
   12   1HB   SER   2          HB2       SER   2   6.169   1.078   0.626
   13   2HB   SER   2          HB1       SER   2   6.570   2.515   1.560
   14    HG   SER   2           HG       SER   2   4.452   2.744   2.109
   15    H    ASP   3           HN       ASP   3   7.735   2.113  -1.551
   16    HA   ASP   3           HA       ASP   3   6.458   0.061  -3.175
   17   1HB   ASP   3          HB2       ASP   3   5.850   2.320  -4.257
   18   2HB   ASP   3          HB1       ASP   3   7.554   2.421  -4.696
   19    H    GLY   4           HN       GLY   4   8.440  -0.779  -1.802
   20   1HA   GLY   4          HA2       GLY   4  10.599  -1.731  -1.982
   21   2HA   GLY   4          HA1       GLY   4  10.698  -1.076  -3.621
   22    H    ILE   5           HN       ILE   5  12.056   0.621  -3.917
   23    HA   ILE   5           HA       ILE   5  13.876   1.647  -2.151
   24    HB   ILE   5           HB       ILE   5  14.079   2.417  -4.353
   25   1HG1  ILE   5          HG12      ILE   5  14.377   4.202  -2.466
   26   2HG1  ILE   5          HG11      ILE   5  14.340   4.742  -4.143
   27   1HG2  ILE   5          HG21      ILE   5  12.227   3.744  -5.445
   28   2HG2  ILE   5          HG22      ILE   5  11.209   3.320  -4.068
   29   3HG2  ILE   5          HG23      ILE   5  11.840   2.054  -5.121
   30   1HD1  ILE   5          HD11      ILE   5  11.663   4.584  -2.980
   31   2HD1  ILE   5          HD12      ILE   5  12.444   5.928  -3.815
   32   3HD1  ILE   5          HD13      ILE   5  12.714   5.686  -2.089
   33    H    PHE   6           HN       PHE   6  10.462   2.441  -2.224
   34    HA   PHE   6           HA       PHE   6  10.910   4.343   0.033
   35   1HB   PHE   6          HB2       PHE   6   9.188   4.398  -2.259
   36   2HB   PHE   6          HB1       PHE   6   8.192   4.354  -0.802
   37    HD1  PHE   6           HD1      PHE   6   8.597   6.037   1.027
   38    HD2  PHE   6           HD2      PHE   6  10.450   6.326  -2.834
   39    HE1  PHE   6           HE1      PHE   6   9.118   8.425   1.457
   40    HE2  PHE   6           HE2      PHE   6  10.972   8.714  -2.408
   41    HZ   PHE   6           HZ       PHE   6  10.306   9.764  -0.261
   42    H    THR   7           HN       THR   7  11.219   2.336   1.420
   43    HA   THR   7           HA       THR   7   8.864   1.768   2.901
   44    HB   THR   7           HB       THR   7   8.292   0.458   0.852
   45    HG1  THR   7           HG1      THR   7   7.492  -0.227   2.830
   46   1HG2  THR   7          HG21      THR   7   9.809  -0.865  -0.139
   47   2HG2  THR   7          HG22      THR   7  10.065  -1.755   1.362
   48   3HG2  THR   7          HG23      THR   7  11.001  -0.298   1.030
   49    H    ASP   8           HN       ASP   8   9.871  -1.108   3.366
   50    HA   ASP   8           HA       ASP   8  12.055  -0.261   5.180
   51   1HB   ASP   8          HB2       ASP   8  10.256  -1.430   6.281
   52   2HB   ASP   8          HB1       ASP   8  10.326  -2.742   5.105
   53    H    SER   9           HN       SER   9  11.355  -3.133   3.138
   54    HA   SER   9           HA       SER   9  13.774  -4.399   3.078
   55   1HB   SER   9          HB2       SER   9  13.055  -4.072   0.331
   56   2HB   SER   9          HB1       SER   9  12.826  -5.477   1.360
   57    HG   SER   9           HG       SER   9  10.869  -4.623   2.034
   58    H    TYR  10           HN       TYR  10  13.080  -1.868   0.633
   59    HA   TYR  10           HA       TYR  10  15.610  -1.487  -0.375
   60   1HB   TYR  10          HB2       TYR  10  14.565   0.185  -1.430
   61   2HB   TYR  10          HB1       TYR  10  13.185  -0.067  -0.381
   62    HD1  TYR  10           HD1      TYR  10  12.870   1.309   1.652
   63    HD2  TYR  10           HD2      TYR  10  16.119   2.025  -1.066
   64    HE1  TYR  10           HE1      TYR  10  13.244   3.529   2.686
   65    HE2  TYR  10           HE2      TYR  10  16.492   4.246  -0.030
   66    HH   TYR  10           HH       TYR  10  15.987   5.277   2.341
   67    H    SER  11           HN       SER  11  14.349   0.132   2.547
   68    HA   SER  11           HA       SER  11  16.625   1.614   3.220
   69   1HB   SER  11          HB2       SER  11  14.523   1.754   4.466
   70   2HB   SER  11          HB1       SER  11  14.737   0.112   5.062
   71    HG   SER  11           HG       SER  11  15.558   1.361   6.646
   72    H    ARG  12           HN       ARG  12  16.062  -1.830   3.511
   73    HA   ARG  12           HA       ARG  12  18.561  -2.231   5.022
   74   1HB   ARG  12          HB2       ARG  12  17.918  -4.504   5.249
   75   2HB   ARG  12          HB1       ARG  12  16.418  -3.593   5.383
   76   1HG   ARG  12          HG2       ARG  12  15.576  -4.460   3.459
   77   2HG   ARG  12          HG1       ARG  12  17.122  -4.403   2.625
   78   1HD   ARG  12          HD2       ARG  12  16.297  -6.455   4.692
   79   2HD   ARG  12          HD1       ARG  12  16.413  -6.726   2.953
   80    HE   ARG  12           HE       ARG  12  18.795  -6.036   4.631
   81   1HH1  ARG  12          HH21      ARG  12  17.312  -8.627   3.175
   82   2HH1  ARG  12          HH22      ARG  12  18.657  -9.090   2.187
   83   1HH2  ARG  12          HH11      ARG  12  20.496  -6.236   2.890
   84   2HH2  ARG  12          HH12      ARG  12  20.460  -7.737   2.026
   85    H    TYR  13           HN       TYR  13  17.401  -2.475   1.726
   86    HA   TYR  13           HA       TYR  13  19.882  -3.823   0.860
   87   1HB   TYR  13          HB2       TYR  13  18.536  -4.629  -0.763
   88   2HB   TYR  13          HB1       TYR  13  17.201  -3.696  -0.112
   89    HD1  TYR  13           HD1      TYR  13  16.059  -2.522  -1.764
   90    HD2  TYR  13           HD2      TYR  13  20.333  -2.852  -2.035
   91    HE1  TYR  13           HE1      TYR  13  16.038  -1.141  -3.819
   92    HE2  TYR  13           HE2      TYR  13  20.310  -1.470  -4.092
   93    HH   TYR  13           HH       TYR  13  18.984  -0.598  -5.702
   94    H    ARG  14           HN       ARG  14  18.182  -0.742   0.372
   95    HA   ARG  14           HA       ARG  14  20.059   0.559  -1.286
   96   1HB   ARG  14          HB2       ARG  14  17.824   1.498  -0.538
   97   2HB   ARG  14          HB1       ARG  14  18.580   1.892   1.008
   98   1HG   ARG  14          HG2       ARG  14  20.341   2.861  -0.955
   99   2HG   ARG  14          HG1       ARG  14  18.728   3.316  -1.503
  100   1HD   ARG  14          HD2       ARG  14  18.676   4.961   0.028
  101   2HD   ARG  14          HD1       ARG  14  18.844   3.763   1.311
  102    HE   ARG  14           HE       ARG  14  21.063   4.491   1.551
  103   1HH1  ARG  14          HH11      ARG  14  19.985   6.679  -0.530
  104   2HH1  ARG  14          HH12      ARG  14  21.384   6.769  -1.548
  105   1HH2  ARG  14          HH21      ARG  14  22.848   3.912  -0.237
  106   2HH2  ARG  14          HH22      ARG  14  23.004   5.202  -1.382
  107    H    LYS  15           HN       LYS  15  19.898   0.780   2.286
  108    HA   LYS  15           HA       LYS  15  22.234   2.194   2.775
  109   1HB   LYS  15          HB2       LYS  15  21.265  -0.218   4.340
  110   2HB   LYS  15          HB1       LYS  15  22.358   1.029   4.940
  111   1HG   LYS  15          HG2       LYS  15  19.586   1.650   3.897
  112   2HG   LYS  15          HG1       LYS  15  19.914   1.315   5.597
  113   1HD   LYS  15          HD2       LYS  15  21.779   3.262   4.468
  114   2HD   LYS  15          HD1       LYS  15  20.102   3.800   4.367
  115   1HE   LYS  15          HE2       LYS  15  19.800   3.368   6.767
  116   2HE   LYS  15          HE1       LYS  15  21.460   2.783   6.881
  117   1HZ   LYS  15          HZ1       LYS  15  21.034   5.434   5.730
  118   2HZ   LYS  15          HZ2       LYS  15  22.310   4.861   6.694
  119   3HZ   LYS  15          HZ3       LYS  15  20.823   5.271   7.405
  120    H    GLN  16           HN       GLN  16  22.006  -1.360   2.410
  121    HA   GLN  16           HA       GLN  16  24.629  -2.129   2.755
  122   1HB   GLN  16          HB2       GLN  16  22.659  -3.008   0.633
  123   2HB   GLN  16          HB1       GLN  16  24.236  -3.772   0.828
  124   1HG   GLN  16          HG2       GLN  16  22.041  -3.588   2.909
  125   2HG   GLN  16          HG1       GLN  16  22.624  -5.048   2.110
  126   1HE2  GLN  16          HE21      GLN  16  22.681  -4.302   5.054
  127   2HE2  GLN  16          HE22      GLN  16  24.312  -4.435   5.505
  128    H    MET  17           HN       MET  17  23.306  -0.471  -0.094
  129    HA   MET  17           HA       MET  17  25.430  -0.618  -1.875
  130   1HB   MET  17          HB2       MET  17  23.743   1.803  -1.181
  131   2HB   MET  17          HB1       MET  17  24.795   1.705  -2.593
  132   1HG   MET  17          HG2       MET  17  22.732  -0.428  -2.080
  133   2HG   MET  17          HG1       MET  17  22.281   1.080  -2.877
  134   1HE   MET  17          HE1       MET  17  23.184  -2.507  -4.668
  135   2HE   MET  17          HE2       MET  17  21.936  -1.401  -5.235
  136   3HE   MET  17          HE3       MET  17  22.071  -1.757  -3.515
  137    H    ALA  18           HN       ALA  18  25.130   2.325   0.102
  138    HA   ALA  18           HA       ALA  18  27.740   3.209  -0.075
  139   1HB   ALA  18          HB1       ALA  18  25.989   4.454   1.126
  140   2HB   ALA  18          HB2       ALA  18  27.425   4.280   2.134
  141   3HB   ALA  18          HB3       ALA  18  26.018   3.255   2.419
  142    H    VAL  19           HN       VAL  19  26.555   1.116   2.557
  143    HA   VAL  19           HA       VAL  19  28.864   0.557   3.933
  144    HB   VAL  19           HB       VAL  19  26.578  -1.222   3.121
  145   1HG1  VAL  19          HG11      VAL  19  29.153  -2.075   4.442
  146   2HG1  VAL  19          HG12      VAL  19  28.260  -2.878   3.150
  147   3HG1  VAL  19          HG13      VAL  19  27.635  -2.900   4.799
  148   1HG2  VAL  19          HG21      VAL  19  25.890  -0.920   5.319
  149   2HG2  VAL  19          HG22      VAL  19  26.749   0.598   5.055
  150   3HG2  VAL  19          HG23      VAL  19  27.537  -0.724   5.917
  151    H    LYS  20           HN       LYS  20  27.920  -1.243   0.960
  152    HA   LYS  20           HA       LYS  20  30.453  -2.601   0.771
  153   1HB   LYS  20          HB2       LYS  20  28.486  -2.033  -1.465
  154   2HB   LYS  20          HB1       LYS  20  29.694  -3.318  -1.415
  155   1HG   LYS  20          HG2       LYS  20  28.557  -4.315   0.537
  156   2HG   LYS  20          HG1       LYS  20  27.343  -3.036   0.480
  157   1HD   LYS  20          HD2       LYS  20  27.813  -4.529  -2.049
  158   2HD   LYS  20          HD1       LYS  20  27.003  -5.410  -0.753
  159   1HE   LYS  20          HE2       LYS  20  25.551  -3.223  -0.565
  160   2HE   LYS  20          HE1       LYS  20  26.101  -2.950  -2.218
  161   1HZ   LYS  20          HZ1       LYS  20  25.319  -5.227  -2.739
  162   2HZ   LYS  20          HZ2       LYS  20  24.071  -4.164  -2.294
  163   3HZ   LYS  20          HZ3       LYS  20  24.643  -5.319  -1.187
  164    HN   LYN  21           HN       LYN  21  31.146  -2.146  -1.953
  165    HA   LYN  21           HA       LYN  21  31.531   0.599  -2.613
  166    HB1  LYN  21           HB1      LYN  21  34.171  -0.382  -1.716
  167    HB2  LYN  21           HB2      LYN  21  33.036  -0.019  -0.415
  168    HG1  LYN  21           HG1      LYN  21  33.226   1.962  -2.634
  169    HG2  LYN  21           HG2      LYN  21  34.598   1.868  -1.529
  170    HD1  LYN  21           HD1      LYN  21  33.199   2.322   0.371
  171    HD2  LYN  21           HD2      LYN  21  31.731   2.116  -0.584
  172    HE1  LYN  21           HE1      LYN  21  33.573   4.130  -1.678
  173    HE2  LYN  21           HE2      LYN  21  32.962   4.533  -0.073
  174    HZ1  LYN  21           HZ1      LYN  21  30.756   3.631  -1.316
  175    HZ2  LYN  21           HZ2      LYN  21  31.570   4.397  -2.595
  176    HZ3  LYN  21           HZ3      LYN  21  31.186   5.266  -1.186
  177    H1   LYN  21           H1       LYN  21  33.859   0.603  -4.053
  178    H2   LYN  21           H2       LYN  21  33.912  -0.699  -5.141
  Start of MODEL    6
    1   1H    HIS   1          HT1       HIS   1   5.846   6.484  -0.239
    2   2H    HIS   1          HT2       HIS   1   6.906   5.161  -0.340
    3   3H    HIS   1          HT3       HIS   1   7.279   6.477   0.668
    4    HA   HIS   1           HA       HIS   1   6.451   5.153   2.272
    5   1HB   HIS   1          HB2       HIS   1   4.147   5.684   2.720
    6   2HB   HIS   1          HB1       HIS   1   4.844   7.088   1.911
    7    HD1  HIS   1           HD1      HIS   1   4.215   7.437  -0.628
    8    HD2  HIS   1           HD2      HIS   1   2.130   4.360   1.261
    9    HE1  HIS   1           HE1      HIS   1   2.280   6.843  -2.150
   10    H    SER   2           HN       SER   2   6.444   2.958   2.409
   11    HA   SER   2           HA       SER   2   6.014   0.711   1.841
   12   1HB   SER   2          HB2       SER   2   3.386   2.008   1.118
   13   2HB   SER   2          HB1       SER   2   3.641   0.267   1.190
   14    HG   SER   2           HG       SER   2   2.916   1.715   3.158
   15    H    ASP   3           HN       ASP   3   7.041   2.627  -0.289
   16    HA   ASP   3           HA       ASP   3   6.140   1.018  -2.644
   17   1HB   ASP   3          HB2       ASP   3   5.418   3.467  -2.517
   18   2HB   ASP   3          HB1       ASP   3   7.109   3.866  -2.775
   19    H    GLY   4           HN       GLY   4   8.240   0.008  -1.272
   20   1HA   GLY   4          HA2       GLY   4  10.409  -0.810  -1.813
   21   2HA   GLY   4          HA1       GLY   4  10.410   0.243  -3.229
   22    H    ILE   5           HN       ILE   5  11.608   2.107  -3.129
   23    HA   ILE   5           HA       ILE   5  13.586   2.657  -1.327
   24    HB   ILE   5           HB       ILE   5  13.503   4.101  -3.178
   25   1HG1  ILE   5          HG12      ILE   5  12.587   5.678  -0.750
   26   2HG1  ILE   5          HG11      ILE   5  14.251   5.367  -1.247
   27   1HG2  ILE   5          HG21      ILE   5  10.680   4.756  -2.304
   28   2HG2  ILE   5          HG22      ILE   5  11.158   3.824  -3.724
   29   3HG2  ILE   5          HG23      ILE   5  11.520   5.548  -3.638
   30   1HD1  ILE   5          HD11      ILE   5  13.863   7.538  -2.056
   31   2HD1  ILE   5          HD12      ILE   5  12.205   7.166  -2.528
   32   3HD1  ILE   5          HD13      ILE   5  13.553   6.533  -3.471
   33    H    PHE   6           HN       PHE   6  10.168   3.237  -0.811
   34    HA   PHE   6           HA       PHE   6  10.833   4.291   1.905
   35   1HB   PHE   6          HB2       PHE   6   8.734   4.899  -0.054
   36   2HB   PHE   6          HB1       PHE   6   8.115   4.642   1.579
   37    HD1  PHE   6           HD1      PHE   6   8.994   6.001   3.480
   38    HD2  PHE   6           HD2      PHE   6  10.101   6.790  -0.593
   39    HE1  PHE   6           HE1      PHE   6   9.828   8.244   4.140
   40    HE2  PHE   6           HE2      PHE   6  10.933   9.032   0.064
   41    HZ   PHE   6           HZ       PHE   6  10.797   9.759   2.432
   42    H    THR   7           HN       THR   7  11.287   1.934   2.438
   43    HA   THR   7           HA       THR   7   9.056   0.782   3.806
   44    HB   THR   7           HB       THR   7   8.422   0.169   1.467
   45    HG1  THR   7           HG1      THR   7   7.863  -1.179   3.210
   46   1HG2  THR   7          HG21      THR   7  11.178  -0.378   1.247
   47   2HG2  THR   7          HG22      THR   7   9.938  -0.639   0.020
   48   3HG2  THR   7          HG23      THR   7  10.365  -1.939   1.132
   49    H    ASP   8           HN       ASP   8  10.272  -2.004   3.236
   50    HA   ASP   8           HA       ASP   8  12.536  -1.611   5.112
   51   1HB   ASP   8          HB2       ASP   8  10.901  -3.204   5.892
   52   2HB   ASP   8          HB1       ASP   8  10.934  -4.064   4.352
   53    H    SER   9           HN       SER   9  11.811  -3.720   2.298
   54    HA   SER   9           HA       SER   9  14.281  -4.713   1.688
   55   1HB   SER   9          HB2       SER   9  13.618  -4.036  -0.807
   56   2HB   SER   9          HB1       SER   9  12.800  -5.325   0.065
   57    HG   SER   9           HG       SER   9  11.786  -3.055  -0.882
   58    H    TYR  10           HN       TYR  10  13.247  -1.556   0.298
   59    HA   TYR  10           HA       TYR  10  15.677  -0.733  -0.730
   60   1HB   TYR  10          HB2       TYR  10  14.511   1.153  -1.091
   61   2HB   TYR  10          HB1       TYR  10  13.214   0.489  -0.115
   62    HD1  TYR  10           HD1      TYR  10  12.963   1.115   2.253
   63    HD2  TYR  10           HD2      TYR  10  16.077   2.799  -0.182
   64    HE1  TYR  10           HE1      TYR  10  13.347   2.869   3.959
   65    HE2  TYR  10           HE2      TYR  10  16.459   4.554   1.525
   66    HH   TYR  10           HH       TYR  10  15.837   4.497   4.391
   67    H    SER  11           HN       SER  11  14.584  -0.221   2.630
   68    HA   SER  11           HA       SER  11  16.841   1.065   3.652
   69   1HB   SER  11          HB2       SER  11  14.822   0.636   4.981
   70   2HB   SER  11          HB1       SER  11  15.165  -1.094   4.972
   71    HG   SER  11           HG       SER  11  15.887   0.245   6.855
   72    H    ARG  12           HN       ARG  12  16.303  -2.465   3.455
   73    HA   ARG  12           HA       ARG  12  19.038  -3.080   4.224
   74   1HB   ARG  12          HB2       ARG  12  18.448  -5.363   3.850
   75   2HB   ARG  12          HB1       ARG  12  16.979  -4.608   4.464
   76   1HG   ARG  12          HG2       ARG  12  15.983  -4.546   2.327
   77   2HG   ARG  12          HG1       ARG  12  17.512  -4.829   1.499
   78   1HD   ARG  12          HD2       ARG  12  16.060  -6.812   3.274
   79   2HD   ARG  12          HD1       ARG  12  16.156  -6.878   1.514
   80    HE   ARG  12           HE       ARG  12  18.596  -7.282   1.759
   81   1HH1  ARG  12          HH21      ARG  12  16.581  -9.012   3.623
   82   2HH1  ARG  12          HH22      ARG  12  17.681  -9.329   4.922
   83   1HH2  ARG  12          HH11      ARG  12  20.040  -7.030   3.837
   84   2HH2  ARG  12          HH12      ARG  12  19.640  -8.207   5.043
   85    H    TYR  13           HN       TYR  13  17.399  -2.261   1.309
   86    HA   TYR  13           HA       TYR  13  19.542  -3.311  -0.423
   87   1HB   TYR  13          HB2       TYR  13  17.718  -3.527  -1.750
   88   2HB   TYR  13          HB1       TYR  13  16.762  -2.463  -0.728
   89    HD1  TYR  13           HD1      TYR  13  18.269  -2.841  -3.904
   90    HD2  TYR  13           HD2      TYR  13  17.329   0.118  -0.936
   91    HE1  TYR  13           HE1      TYR  13  18.423  -1.065  -5.626
   92    HE2  TYR  13           HE2      TYR  13  17.483   1.894  -2.657
   93    HH   TYR  13           HH       TYR  13  18.260   1.102  -6.051
   94    H    ARG  14           HN       ARG  14  19.186  -0.648   1.502
   95    HA   ARG  14           HA       ARG  14  20.436   1.255  -0.397
   96   1HB   ARG  14          HB2       ARG  14  18.574   1.768   1.416
   97   2HB   ARG  14          HB1       ARG  14  19.965   1.892   2.494
   98   1HG   ARG  14          HG2       ARG  14  20.891   3.355   0.429
   99   2HG   ARG  14          HG1       ARG  14  19.163   3.643   0.227
  100   1HD   ARG  14          HD2       ARG  14  19.037   4.915   2.102
  101   2HD   ARG  14          HD1       ARG  14  20.075   3.823   3.018
  102    HE   ARG  14           HE       ARG  14  21.930   4.982   1.477
  103   1HH1  ARG  14          HH21      ARG  14  20.778   6.024   4.244
  104   2HH1  ARG  14          HH22      ARG  14  20.766   7.723   3.906
  105   1HH2  ARG  14          HH11      ARG  14  21.221   7.317   0.493
  106   2HH2  ARG  14          HH12      ARG  14  21.017   8.455   1.782
  107    H    LYS  15           HN       LYS  15  21.123   0.483   3.032
  108    HA   LYS  15           HA       LYS  15  23.759   1.289   3.157
  109   1HB   LYS  15          HB2       LYS  15  22.398  -1.103   4.400
  110   2HB   LYS  15          HB1       LYS  15  24.082  -0.714   4.753
  111   1HG   LYS  15          HG2       LYS  15  23.049   0.492   6.434
  112   2HG   LYS  15          HG1       LYS  15  23.062   1.713   5.161
  113   1HD   LYS  15          HD2       LYS  15  20.793   1.430   4.681
  114   2HD   LYS  15          HD1       LYS  15  20.750  -0.196   5.364
  115   1HE   LYS  15          HE2       LYS  15  20.573   0.571   7.540
  116   2HE   LYS  15          HE1       LYS  15  21.415   2.080   7.188
  117   1HZ   LYS  15          HZ1       LYS  15  19.230   2.741   7.419
  118   2HZ   LYS  15          HZ2       LYS  15  18.608   1.358   6.653
  119   3HZ   LYS  15          HZ3       LYS  15  19.371   2.569   5.737
  120    H    GLN  16           HN       GLN  16  22.652  -1.924   2.038
  121    HA   GLN  16           HA       GLN  16  25.068  -3.153   1.472
  122   1HB   GLN  16          HB2       GLN  16  22.529  -3.113  -0.181
  123   2HB   GLN  16          HB1       GLN  16  23.896  -4.161  -0.555
  124   1HG   GLN  16          HG2       GLN  16  22.236  -4.150   1.977
  125   2HG   GLN  16          HG1       GLN  16  22.377  -5.450   0.794
  126   1HE2  GLN  16          HE21      GLN  16  25.294  -5.182   0.450
  127   2HE2  GLN  16          HE22      GLN  16  26.005  -5.758   1.880
  128    H    MET  17           HN       MET  17  23.409  -0.751  -0.577
  129    HA   MET  17           HA       MET  17  25.051  -0.674  -2.800
  130   1HB   MET  17          HB2       MET  17  23.969   1.698  -1.253
  131   2HB   MET  17          HB1       MET  17  24.605   1.781  -2.896
  132   1HG   MET  17          HG2       MET  17  22.626  -0.349  -2.568
  133   2HG   MET  17          HG1       MET  17  21.968   1.248  -2.212
  134   1HE   MET  17          HE1       MET  17  20.410   1.366  -3.768
  135   2HE   MET  17          HE2       MET  17  20.578  -0.042  -4.812
  136   3HE   MET  17          HE3       MET  17  20.565   1.572  -5.518
  137    H    ALA  18           HN       ALA  18  25.642   1.685  -0.186
  138    HA   ALA  18           HA       ALA  18  28.215   2.421  -0.836
  139   1HB   ALA  18          HB1       ALA  18  28.606   2.873   1.547
  140   2HB   ALA  18          HB2       ALA  18  27.244   1.837   1.974
  141   3HB   ALA  18          HB3       ALA  18  26.966   3.341   1.096
  142    H    VAL  19           HN       VAL  19  27.473  -0.257   1.395
  143    HA   VAL  19           HA       VAL  19  29.962  -1.320   1.866
  144    HB   VAL  19           HB       VAL  19  27.326  -2.658   1.309
  145   1HG1  VAL  19          HG11      VAL  19  30.017  -3.953   1.392
  146   2HG1  VAL  19          HG12      VAL  19  28.561  -4.445   0.527
  147   3HG1  VAL  19          HG13      VAL  19  28.703  -4.748   2.258
  148   1HG2  VAL  19          HG21      VAL  19  29.113  -2.846   3.740
  149   2HG2  VAL  19          HG22      VAL  19  27.372  -3.110   3.641
  150   3HG2  VAL  19          HG23      VAL  19  28.026  -1.478   3.499
  151    H    LYS  20           HN       LYS  20  28.047  -2.119  -1.075
  152    HA   LYS  20           HA       LYS  20  30.439  -3.307  -2.310
  153   1HB   LYS  20          HB2       LYS  20  27.808  -2.796  -3.696
  154   2HB   LYS  20          HB1       LYS  20  28.995  -4.059  -4.024
  155   1HG   LYS  20          HG2       LYS  20  28.427  -5.255  -2.047
  156   2HG   LYS  20          HG1       LYS  20  27.530  -3.887  -1.387
  157   1HD   LYS  20          HD2       LYS  20  26.711  -5.180  -3.986
  158   2HD   LYS  20          HD1       LYS  20  26.161  -5.816  -2.435
  159   1HE   LYS  20          HE2       LYS  20  25.394  -3.435  -1.895
  160   2HE   LYS  20          HE1       LYS  20  25.656  -3.072  -3.601
  161   1HZ   LYS  20          HZ1       LYS  20  24.083  -4.717  -4.225
  162   2HZ   LYS  20          HZ2       LYS  20  23.351  -3.758  -3.028
  163   3HZ   LYS  20          HZ3       LYS  20  23.950  -5.299  -2.638
  164    HN   LYN  21           HN       LYN  21  30.873  -0.615  -1.737
  165    HA   LYN  21           HA       LYN  21  30.942   0.538  -4.492
  166    HB1  LYN  21           HB1      LYN  21  30.841   2.572  -2.409
  167    HB2  LYN  21           HB2      LYN  21  29.407   1.545  -2.380
  168    HG1  LYN  21           HG1      LYN  21  29.292   1.902  -4.918
  169    HG2  LYN  21           HG2      LYN  21  30.485   3.180  -4.687
  170    HD1  LYN  21           HD1      LYN  21  28.049   3.174  -2.944
  171    HD2  LYN  21           HD2      LYN  21  27.882   3.716  -4.614
  172    HE1  LYN  21           HE1      LYN  21  30.233   4.937  -3.657
  173    HE2  LYN  21           HE2      LYN  21  29.057   5.099  -2.353
  174    HZ1  LYN  21           HZ1      LYN  21  28.796   5.995  -5.163
  175    HZ2  LYN  21           HZ2      LYN  21  28.740   6.941  -3.753
  176    HZ3  LYN  21           HZ3      LYN  21  27.464   5.880  -4.118
  177    H1   LYN  21           H1       LYN  21  32.775  -0.610  -1.981
  178    H2   LYN  21           H2       LYN  21  34.165   0.343  -2.179
  Start of MODEL    7
    1   1H    HIS   1          HT1       HIS   1   0.843  -2.530  -1.424
    2   2H    HIS   1          HT2       HIS   1   2.012  -1.467  -0.798
    3   3H    HIS   1          HT3       HIS   1   2.199  -3.146  -0.611
    4    HA   HIS   1           HA       HIS   1   2.414  -3.402  -3.016
    5   1HB   HIS   1          HB2       HIS   1   1.067  -1.345  -3.540
    6   2HB   HIS   1          HB1       HIS   1   2.441  -0.370  -3.017
    7    HD1  HIS   1           HD1      HIS   1   3.135   0.557  -5.288
    8    HD2  HIS   1           HD2      HIS   1   2.855  -3.602  -5.265
    9    HE1  HIS   1           HE1      HIS   1   4.123  -0.239  -7.480
   10    H    SER   2           HN       SER   2   4.569  -3.491  -3.791
   11    HA   SER   2           HA       SER   2   6.665  -1.801  -2.758
   12   1HB   SER   2          HB2       SER   2   7.608  -4.233  -1.754
   13   2HB   SER   2          HB1       SER   2   7.055  -2.857  -0.804
   14    HG   SER   2           HG       SER   2   5.739  -5.224  -1.502
   15    H    ASP   3           HN       ASP   3   8.798  -2.465  -3.654
   16    HA   ASP   3           HA       ASP   3   9.026  -4.777  -5.382
   17   1HB   ASP   3          HB2       ASP   3   7.461  -3.174  -6.638
   18   2HB   ASP   3          HB1       ASP   3   8.874  -2.138  -6.835
   19    H    GLY   4           HN       GLY   4  10.961  -4.524  -3.759
   20   1HA   GLY   4          HA2       GLY   4  13.297  -4.172  -3.621
   21   2HA   GLY   4          HA1       GLY   4  13.234  -3.452  -5.233
   22    H    ILE   5           HN       ILE   5  13.460  -1.269  -5.356
   23    HA   ILE   5           HA       ILE   5  14.232   0.426  -3.344
   24    HB   ILE   5           HB       ILE   5  14.261   1.327  -5.518
   25   1HG1  ILE   5          HG12      ILE   5  11.980   2.642  -4.003
   26   2HG1  ILE   5          HG11      ILE   5  13.689   3.068  -3.911
   27   1HG2  ILE   5          HG21      ILE   5  11.764  -0.061  -5.720
   28   2HG2  ILE   5          HG22      ILE   5  12.759   0.606  -7.015
   29   3HG2  ILE   5          HG23      ILE   5  11.528   1.607  -6.242
   30   1HD1  ILE   5          HD11      ILE   5  11.839   3.377  -6.286
   31   2HD1  ILE   5          HD12      ILE   5  13.591   3.543  -6.404
   32   3HD1  ILE   5          HD13      ILE   5  12.666   4.654  -5.395
   33    H    PHE   6           HN       PHE   6  10.965  -0.733  -3.875
   34    HA   PHE   6           HA       PHE   6  10.050   1.002  -1.623
   35   1HB   PHE   6          HB2       PHE   6   8.786   0.035  -4.090
   36   2HB   PHE   6          HB1       PHE   6   7.782  -0.168  -2.652
   37    HD1  PHE   6           HD1      PHE   6   9.289   2.204  -4.963
   38    HD2  PHE   6           HD2      PHE   6   7.263   1.795  -1.199
   39    HE1  PHE   6           HE1      PHE   6   8.781   4.633  -4.975
   40    HE2  PHE   6           HE2      PHE   6   6.752   4.224  -1.210
   41    HZ   PHE   6           HZ       PHE   6   7.512   5.643  -3.098
   42    H    THR   7           HN       THR   7  11.164  -0.589  -0.152
   43    HA   THR   7           HA       THR   7   9.310  -2.413   0.996
   44    HB   THR   7           HB       THR   7   9.795  -3.780  -1.001
   45    HG1  THR   7           HG1      THR   7   9.429  -5.048   0.699
   46   1HG2  THR   7          HG21      THR   7  12.471  -4.577  -0.412
   47   2HG2  THR   7          HG22      THR   7  12.438  -2.819  -0.542
   48   3HG2  THR   7          HG23      THR   7  11.857  -3.813  -1.878
   49    H    ASP   8           HN       ASP   8  11.627  -4.273   1.756
   50    HA   ASP   8           HA       ASP   8  12.746  -2.380   3.746
   51   1HB   ASP   8          HB2       ASP   8  13.021  -4.186   5.203
   52   2HB   ASP   8          HB1       ASP   8  11.528  -4.586   4.359
   53    H    SER   9           HN       SER   9  13.859  -5.089   1.661
   54    HA   SER   9           HA       SER   9  16.590  -4.947   2.061
   55   1HB   SER   9          HB2       SER   9  16.638  -5.154  -0.607
   56   2HB   SER   9          HB1       SER   9  16.152  -6.486   0.431
   57    HG   SER   9           HG       SER   9  14.733  -5.427  -1.443
   58    H    TYR  10           HN       TYR  10  14.946  -2.958  -0.460
   59    HA   TYR  10           HA       TYR  10  17.083  -1.307  -1.109
   60   1HB   TYR  10          HB2       TYR  10  15.498  -0.325  -2.355
   61   2HB   TYR  10          HB1       TYR  10  14.301  -1.316  -1.548
   62    HD1  TYR  10           HD1      TYR  10  15.875   2.003  -1.701
   63    HD2  TYR  10           HD2      TYR  10  12.962  -0.428   0.312
   64    HE1  TYR  10           HE1      TYR  10  14.897   4.033  -0.666
   65    HE2  TYR  10           HE2      TYR  10  11.983   1.602   1.346
   66    HH   TYR  10           HH       TYR  10  11.891   4.082   0.796
   67    H    SER  11           HN       SER  11  14.706  -0.749   1.490
   68    HA   SER  11           HA       SER  11  15.724   1.612   2.564
   69   1HB   SER  11          HB2       SER  11  13.698   0.513   3.409
   70   2HB   SER  11          HB1       SER  11  14.667  -0.812   4.054
   71    HG   SER  11           HG       SER  11  14.039   1.046   5.496
   72    H    ARG  12           HN       ARG  12  16.725  -1.714   3.418
   73    HA   ARG  12           HA       ARG  12  18.981  -0.790   4.998
   74   1HB   ARG  12          HB2       ARG  12  19.475  -3.079   5.333
   75   2HB   ARG  12          HB1       ARG  12  17.724  -3.064   5.154
   76   1HG   ARG  12          HG2       ARG  12  17.835  -3.889   2.937
   77   2HG   ARG  12          HG1       ARG  12  19.557  -3.540   2.797
   78   1HD   ARG  12          HD2       ARG  12  19.219  -5.939   3.152
   79   2HD   ARG  12          HD1       ARG  12  20.019  -5.231   4.555
   80    HE   ARG  12           HE       ARG  12  17.077  -5.429   4.704
   81   1HH1  ARG  12          HH11      ARG  12  18.961  -5.165   7.060
   82   2HH1  ARG  12          HH12      ARG  12  18.947  -6.777   7.695
   83   1HH2  ARG  12          HH21      ARG  12  17.579  -8.178   4.834
   84   2HH2  ARG  12          HH22      ARG  12  18.165  -8.482   6.435
   85    H    TYR  13           HN       TYR  13  18.372  -1.459   1.667
   86    HA   TYR  13           HA       TYR  13  21.223  -1.621   0.960
   87   1HB   TYR  13          HB2       TYR  13  20.253  -2.909  -0.633
   88   2HB   TYR  13          HB1       TYR  13  18.656  -2.265  -0.281
   89    HD1  TYR  13           HD1      TYR  13  21.234  -2.447  -2.689
   90    HD2  TYR  13           HD2      TYR  13  18.211   0.195  -1.165
   91    HE1  TYR  13           HE1      TYR  13  21.305  -1.149  -4.801
   92    HE2  TYR  13           HE2      TYR  13  18.282   1.494  -3.275
   93    HH   TYR  13           HH       TYR  13  19.087   1.578  -5.355
   94    H    ARG  14           HN       ARG  14  19.424   0.842   1.961
   95    HA   ARG  14           HA       ARG  14  20.464   2.758  -0.084
   96   1HB   ARG  14          HB2       ARG  14  17.902   2.527   0.938
   97   2HB   ARG  14          HB1       ARG  14  18.593   3.824   1.913
   98   1HG   ARG  14          HG2       ARG  14  19.451   4.751  -0.374
   99   2HG   ARG  14          HG1       ARG  14  18.210   3.706  -1.068
  100   1HD   ARG  14          HD2       ARG  14  16.790   5.431  -0.693
  101   2HD   ARG  14          HD1       ARG  14  16.861   4.944   1.000
  102    HE   ARG  14           HE       ARG  14  18.937   6.837   0.067
  103   1HH1  ARG  14          HH21      ARG  14  17.539   6.008   2.840
  104   2HH1  ARG  14          HH22      ARG  14  16.886   7.557   3.260
  105   1HH2  ARG  14          HH11      ARG  14  17.429   8.933   0.125
  106   2HH2  ARG  14          HH12      ARG  14  16.824   9.213   1.723
  107    H    LYS  15           HN       LYS  15  19.579   3.162   3.351
  108    HA   LYS  15           HA       LYS  15  21.512   5.054   4.005
  109   1HB   LYS  15          HB2       LYS  15  21.435   3.832   6.348
  110   2HB   LYS  15          HB1       LYS  15  20.007   4.665   5.733
  111   1HG   LYS  15          HG2       LYS  15  20.154   1.935   4.734
  112   2HG   LYS  15          HG1       LYS  15  20.153   1.979   6.496
  113   1HD   LYS  15          HD2       LYS  15  18.155   3.413   4.722
  114   2HD   LYS  15          HD1       LYS  15  17.849   1.899   5.574
  115   1HE   LYS  15          HE2       LYS  15  18.860   4.234   7.150
  116   2HE   LYS  15          HE1       LYS  15  17.166   4.223   6.659
  117   1HZ   LYS  15          HZ1       LYS  15  18.333   2.846   8.772
  118   2HZ   LYS  15          HZ2       LYS  15  17.876   1.678   7.626
  119   3HZ   LYS  15          HZ3       LYS  15  16.724   2.764   8.243
  120    H    GLN  16           HN       GLN  16  21.893   1.493   4.234
  121    HA   GLN  16           HA       GLN  16  24.477   1.363   5.250
  122   1HB   GLN  16          HB2       GLN  16  24.720  -0.776   4.170
  123   2HB   GLN  16          HB1       GLN  16  23.024  -0.609   4.615
  124   1HG   GLN  16          HG2       GLN  16  22.509   0.141   2.307
  125   2HG   GLN  16          HG1       GLN  16  24.204  -0.080   1.874
  126   1HE2  GLN  16          HE21      GLN  16  23.575  -1.781   0.312
  127   2HE2  GLN  16          HE22      GLN  16  23.139  -3.328   0.860
  128    H    MET  17           HN       MET  17  23.578   1.865   1.828
  129    HA   MET  17           HA       MET  17  26.047   1.890   0.586
  130   1HB   MET  17          HB2       MET  17  23.618   3.603   0.193
  131   2HB   MET  17          HB1       MET  17  25.106   4.080  -0.617
  132   1HG   MET  17          HG2       MET  17  23.590   2.528  -1.948
  133   2HG   MET  17          HG1       MET  17  25.264   2.003  -1.782
  134   1HE   MET  17          HE1       MET  17  24.853  -1.421  -1.049
  135   2HE   MET  17          HE2       MET  17  25.607  -0.054  -1.865
  136   3HE   MET  17          HE3       MET  17  24.071  -0.684  -2.454
  137    H    ALA  18           HN       ALA  18  24.711   5.001   1.722
  138    HA   ALA  18           HA       ALA  18  26.983   6.538   1.682
  139   1HB   ALA  18          HB1       ALA  18  24.978   6.482   3.953
  140   2HB   ALA  18          HB2       ALA  18  24.791   7.379   2.445
  141   3HB   ALA  18          HB3       ALA  18  26.068   7.818   3.580
  142    H    VAL  19           HN       VAL  19  26.028   4.610   4.522
  143    HA   VAL  19           HA       VAL  19  28.186   4.991   6.192
  144    HB   VAL  19           HB       VAL  19  26.588   2.524   5.557
  145   1HG1  VAL  19          HG11      VAL  19  29.139   2.667   7.128
  146   2HG1  VAL  19          HG12      VAL  19  28.528   1.366   6.106
  147   3HG1  VAL  19          HG13      VAL  19  27.841   1.624   7.710
  148   1HG2  VAL  19          HG21      VAL  19  26.100   4.666   7.140
  149   2HG2  VAL  19          HG22      VAL  19  26.939   3.632   8.297
  150   3HG2  VAL  19          HG23      VAL  19  25.477   3.055   7.497
  151    H    LYS  20           HN       LYS  20  28.180   2.532   3.556
  152    HA   LYS  20           HA       LYS  20  31.077   2.178   3.865
  153   1HB   LYS  20          HB2       LYS  20  29.344   1.070   1.651
  154   2HB   LYS  20          HB1       LYS  20  30.867   0.426   2.265
  155   1HG   LYS  20          HG2       LYS  20  29.887  -0.412   4.208
  156   2HG   LYS  20          HG1       LYS  20  28.533   0.716   4.131
  157   1HD   LYS  20          HD2       LYS  20  29.001  -1.603   2.233
  158   2HD   LYS  20          HD1       LYS  20  27.810  -1.566   3.534
  159   1HE   LYS  20          HE2       LYS  20  26.347  -0.543   2.169
  160   2HE   LYS  20          HE1       LYS  20  27.473   0.801   1.972
  161   1HZ   LYS  20          HZ1       LYS  20  28.539  -0.340   0.177
  162   2HZ   LYS  20          HZ2       LYS  20  26.870  -0.293  -0.137
  163   3HZ   LYS  20          HZ3       LYS  20  27.593  -1.726   0.419
  164    HN   LYN  21           HN       LYN  21  29.602   4.727   2.750
  165    HA   LYN  21           HA       LYN  21  31.709   5.563   1.016
  166    HB1  LYN  21           HB1      LYN  21  30.840   4.090  -0.661
  167    HB2  LYN  21           HB2      LYN  21  30.296   5.709  -1.104
  168    HG1  LYN  21           HG1      LYN  21  28.194   5.085   0.354
  169    HG2  LYN  21           HG2      LYN  21  28.722   3.428   0.061
  170    HD1  LYN  21           HD1      LYN  21  27.512   3.627  -1.860
  171    HD2  LYN  21           HD2      LYN  21  28.921   4.509  -2.449
  172    HE1  LYN  21           HE1      LYN  21  27.202   6.242  -0.879
  173    HE2  LYN  21           HE2      LYN  21  26.298   5.494  -2.196
  174    HZ1  LYN  21           HZ1      LYN  21  28.225   6.161  -3.654
  175    HZ2  LYN  21           HZ2      LYN  21  28.756   7.134  -2.367
  176    HZ3  LYN  21           HZ3      LYN  21  27.246   7.425  -3.090
  177    H1   LYN  21           H1       LYN  21  30.872   7.048   3.012
  178    H2   LYN  21           H2       LYN  21  29.811   8.290   2.551
  Start of MODEL    8
    1   1H    HIS   1          HT1       HIS   1   2.439   4.165   2.850
    2   2H    HIS   1          HT2       HIS   1   1.604   2.698   2.655
    3   3H    HIS   1          HT3       HIS   1   0.781   4.176   2.492
    4    HA   HIS   1           HA       HIS   1   1.181   3.248   0.322
    5   1HB   HIS   1          HB2       HIS   1   1.362   5.745   0.745
    6   2HB   HIS   1          HB1       HIS   1   3.111   5.531   0.812
    7    HD1  HIS   1           HD1      HIS   1   2.858   7.187  -1.402
    8    HD2  HIS   1           HD2      HIS   1   1.699   3.208  -1.849
    9    HE1  HIS   1           HE1      HIS   1   2.811   6.730  -3.892
   10    H    SER   2           HN       SER   2   4.407   4.331   1.406
   11    HA   SER   2           HA       SER   2   6.509   3.350   1.096
   12   1HB   SER   2          HB2       SER   2   4.912   0.776   1.209
   13   2HB   SER   2          HB1       SER   2   6.647   0.934   1.463
   14    HG   SER   2           HG       SER   2   6.296   1.867   3.369
   15    H    ASP   3           HN       ASP   3   7.823   2.194  -0.557
   16    HA   ASP   3           HA       ASP   3   6.656   0.991  -2.888
   17   1HB   ASP   3          HB2       ASP   3   5.971   3.502  -3.018
   18   2HB   ASP   3          HB1       ASP   3   7.656   3.768  -3.465
   19    H    GLY   4           HN       GLY   4   8.663  -0.263  -1.998
   20   1HA   GLY   4          HA2       GLY   4  10.876  -0.955  -2.453
   21   2HA   GLY   4          HA1       GLY   4  10.931   0.267  -3.727
   22    H    ILE   5           HN       ILE   5  12.218   2.005  -3.357
   23    HA   ILE   5           HA       ILE   5  13.985   2.364  -1.290
   24    HB   ILE   5           HB       ILE   5  14.171   3.871  -3.084
   25   1HG1  ILE   5          HG12      ILE   5  14.450   4.841  -0.671
   26   2HG1  ILE   5          HG11      ILE   5  14.409   5.958  -2.033
   27   1HG2  ILE   5          HG21      ILE   5  11.266   4.427  -2.527
   28   2HG2  ILE   5          HG22      ILE   5  12.017   3.872  -4.023
   29   3HG2  ILE   5          HG23      ILE   5  12.238   5.539  -3.491
   30   1HD1  ILE   5          HD11      ILE   5  11.731   5.368  -1.028
   31   2HD1  ILE   5          HD12      ILE   5  12.508   6.928  -1.293
   32   3HD1  ILE   5          HD13      ILE   5  12.768   6.059   0.219
   33    H    PHE   6           HN       PHE   6  10.542   2.982  -1.150
   34    HA   PHE   6           HA       PHE   6  10.880   4.027   1.622
   35   1HB   PHE   6          HB2       PHE   6   9.185   4.780  -0.542
   36   2HB   PHE   6          HB1       PHE   6   8.163   4.133   0.743
   37    HD1  PHE   6           HD1      PHE   6   9.851   7.000  -0.418
   38    HD2  PHE   6           HD2      PHE   6   8.817   4.915   3.188
   39    HE1  PHE   6           HE1      PHE   6  10.156   9.095   0.875
   40    HE2  PHE   6           HE2      PHE   6   9.119   7.008   4.486
   41    HZ   PHE   6           HZ       PHE   6   9.790   9.099   3.330
   42    H    THR   7           HN       THR   7  11.315   1.695   2.267
   43    HA   THR   7           HA       THR   7   9.007   0.526   3.436
   44    HB   THR   7           HB       THR   7   8.475  -0.061   1.078
   45    HG1  THR   7           HG1      THR   7   7.878  -1.444   2.804
   46   1HG2  THR   7          HG21      THR   7  10.404  -2.161   0.747
   47   2HG2  THR   7          HG22      THR   7  11.248  -0.632   0.996
   48   3HG2  THR   7          HG23      THR   7  10.077  -0.790  -0.313
   49    H    ASP   8           HN       ASP   8  10.114  -2.272   2.995
   50    HA   ASP   8           HA       ASP   8  12.301  -1.974   4.967
   51   1HB   ASP   8          HB2       ASP   8  10.515  -3.520   5.571
   52   2HB   ASP   8          HB1       ASP   8  10.737  -4.405   4.062
   53    H    SER   9           HN       SER   9  11.671  -3.955   2.039
   54    HA   SER   9           HA       SER   9  14.121  -5.070   1.547
   55   1HB   SER   9          HB2       SER   9  13.477  -3.882  -0.926
   56   2HB   SER   9          HB1       SER   9  13.066  -5.504  -0.386
   57    HG   SER   9           HG       SER   9  11.512  -3.251  -0.591
   58    H    TYR  10           HN       TYR  10  13.366  -1.843   0.172
   59    HA   TYR  10           HA       TYR  10  15.906  -1.068  -0.579
   60   1HB   TYR  10          HB2       TYR  10  14.826   0.842  -1.007
   61   2HB   TYR  10          HB1       TYR  10  13.428   0.200  -0.165
   62    HD1  TYR  10           HD1      TYR  10  12.965   0.810   2.171
   63    HD2  TYR  10           HD2      TYR  10  16.354   2.418   0.078
   64    HE1  TYR  10           HE1      TYR  10  13.236   2.530   3.935
   65    HE2  TYR  10           HE2      TYR  10  16.626   4.137   1.844
   66    HH   TYR  10           HH       TYR  10  15.982   4.775   3.903
   67    H    SER  11           HN       SER  11  14.508  -0.579   2.670
   68    HA   SER  11           HA       SER  11  16.690   0.617   3.924
   69   1HB   SER  11          HB2       SER  11  14.530   0.201   5.034
   70   2HB   SER  11          HB1       SER  11  14.862  -1.529   5.050
   71    HG   SER  11           HG       SER  11  15.424  -0.063   6.970
   72    H    ARG  12           HN       ARG  12  16.289  -2.724   2.943
   73    HA   ARG  12           HA       ARG  12  18.795  -3.518   4.288
   74   1HB   ARG  12          HB2       ARG  12  18.242  -5.758   3.746
   75   2HB   ARG  12          HB1       ARG  12  16.704  -5.001   4.141
   76   1HG   ARG  12          HG2       ARG  12  15.914  -5.208   2.016
   77   2HG   ARG  12          HG1       ARG  12  17.471  -4.847   1.283
   78   1HD   ARG  12          HD2       ARG  12  16.535  -7.476   2.434
   79   2HD   ARG  12          HD1       ARG  12  17.030  -7.135   0.776
   80    HE   ARG  12           HE       ARG  12  19.348  -6.655   1.887
   81   1HH1  ARG  12          HH11      ARG  12  17.630  -7.874   4.343
   82   2HH1  ARG  12          HH12      ARG  12  18.482  -9.374   4.505
   83   1HH2  ARG  12          HH21      ARG  12  20.182  -9.039   1.502
   84   2HH2  ARG  12          HH22      ARG  12  19.926 -10.033   2.897
   85    H    TYR  13           HN       TYR  13  17.648  -2.709   1.073
   86    HA   TYR  13           HA       TYR  13  20.179  -3.605  -0.147
   87   1HB   TYR  13          HB2       TYR  13  18.918  -3.833  -2.003
   88   2HB   TYR  13          HB1       TYR  13  17.521  -3.328  -1.071
   89    HD1  TYR  13           HD1      TYR  13  20.517  -1.551  -2.534
   90    HD2  TYR  13           HD2      TYR  13  16.238  -1.753  -2.192
   91    HE1  TYR  13           HE1      TYR  13  20.307   0.464  -3.960
   92    HE2  TYR  13           HE2      TYR  13  16.034   0.271  -3.603
   93    HH   TYR  13           HH       TYR  13  17.115   1.725  -4.898
   94    H    ARG  14           HN       ARG  14  18.403  -0.580   0.435
   95    HA   ARG  14           HA       ARG  14  20.086   1.298  -0.726
   96   1HB   ARG  14          HB2       ARG  14  18.032   1.829   0.637
   97   2HB   ARG  14          HB1       ARG  14  18.989   1.557   2.095
   98   1HG   ARG  14          HG2       ARG  14  20.614   3.262   0.726
   99   2HG   ARG  14          HG1       ARG  14  19.026   3.833   0.214
  100   1HD   ARG  14          HD2       ARG  14  18.447   3.666   2.769
  101   2HD   ARG  14          HD1       ARG  14  20.197   3.729   2.979
  102    HE   ARG  14           HE       ARG  14  19.738   5.853   1.311
  103   1HH1  ARG  14          HH11      ARG  14  19.322   5.063   4.560
  104   2HH1  ARG  14          HH12      ARG  14  18.444   6.498   4.973
  105   1HH2  ARG  14          HH21      ARG  14  18.158   7.586   1.693
  106   2HH2  ARG  14          HH22      ARG  14  17.785   7.926   3.350
  107    H    LYS  15           HN       LYS  15  20.458   0.282   2.686
  108    HA   LYS  15           HA       LYS  15  22.921   1.395   3.254
  109   1HB   LYS  15          HB2       LYS  15  21.648  -1.183   4.111
  110   2HB   LYS  15          HB1       LYS  15  23.324  -0.876   4.561
  111   1HG   LYS  15          HG2       LYS  15  21.716  -0.079   6.290
  112   2HG   LYS  15          HG1       LYS  15  22.698   1.227   5.627
  113   1HD   LYS  15          HD2       LYS  15  20.911   2.017   4.263
  114   2HD   LYS  15          HD1       LYS  15  19.966   0.550   4.526
  115   1HE   LYS  15          HE2       LYS  15  19.867   1.140   6.972
  116   2HE   LYS  15          HE1       LYS  15  20.626   2.682   6.575
  117   1HZ   LYS  15          HZ1       LYS  15  18.341   3.098   6.557
  118   2HZ   LYS  15          HZ2       LYS  15  17.985   1.665   5.717
  119   3HZ   LYS  15          HZ3       LYS  15  18.752   2.953   4.918
  120    H    GLN  16           HN       GLN  16  22.456  -1.795   1.691
  121    HA   GLN  16           HA       GLN  16  25.070  -2.615   1.354
  122   1HB   GLN  16          HB2       GLN  16  22.804  -2.707  -0.654
  123   2HB   GLN  16          HB1       GLN  16  24.344  -3.525  -0.909
  124   1HG   GLN  16          HG2       GLN  16  22.346  -4.018   1.311
  125   2HG   GLN  16          HG1       GLN  16  22.862  -5.147   0.058
  126   1HE2  GLN  16          HE21      GLN  16  25.646  -4.861   0.114
  127   2HE2  GLN  16          HE22      GLN  16  26.241  -5.319   1.636
  128    H    MET  17           HN       MET  17  23.373  -0.373  -0.859
  129    HA   MET  17           HA       MET  17  25.360   0.206  -2.684
  130   1HB   MET  17          HB2       MET  17  23.316   1.978  -1.375
  131   2HB   MET  17          HB1       MET  17  24.551   2.712  -2.392
  132   1HG   MET  17          HG2       MET  17  22.418   2.064  -3.604
  133   2HG   MET  17          HG1       MET  17  23.901   1.407  -4.293
  134   1HE   MET  17          HE1       MET  17  23.165  -0.698  -5.523
  135   2HE   MET  17          HE2       MET  17  21.650   0.189  -5.381
  136   3HE   MET  17          HE3       MET  17  21.681  -1.543  -5.064
  137    H    ALA  18           HN       ALA  18  24.998   2.360   0.142
  138    HA   ALA  18           HA       ALA  18  27.457   3.609   0.046
  139   1HB   ALA  18          HB1       ALA  18  27.339   3.706   2.576
  140   2HB   ALA  18          HB2       ALA  18  25.938   2.639   2.476
  141   3HB   ALA  18          HB3       ALA  18  25.878   4.244   1.747
  142    H    VAL  19           HN       VAL  19  26.851   0.645   1.931
  143    HA   VAL  19           HA       VAL  19  29.370   0.005   2.816
  144    HB   VAL  19           HB       VAL  19  27.179  -1.723   1.694
  145   1HG1  VAL  19          HG11      VAL  19  29.996  -2.566   2.332
  146   2HG1  VAL  19          HG12      VAL  19  28.947  -3.102   1.019
  147   3HG1  VAL  19          HG13      VAL  19  28.656  -3.664   2.665
  148   1HG2  VAL  19          HG21      VAL  19  28.509  -1.867   4.399
  149   2HG2  VAL  19          HG22      VAL  19  26.868  -2.334   3.953
  150   3HG2  VAL  19          HG23      VAL  19  27.302  -0.627   4.054
  151    H    LYS  20           HN       LYS  20  28.211  -0.894  -0.473
  152    HA   LYS  20           HA       LYS  20  30.930  -1.589  -1.291
  153   1HB   LYS  20          HB2       LYS  20  28.520  -1.208  -3.082
  154   2HB   LYS  20          HB1       LYS  20  29.955  -2.184  -3.397
  155   1HG   LYS  20          HG2       LYS  20  29.346  -3.802  -1.769
  156   2HG   LYS  20          HG1       LYS  20  28.148  -2.733  -1.040
  157   1HD   LYS  20          HD2       LYS  20  27.946  -3.756  -3.883
  158   2HD   LYS  20          HD1       LYS  20  27.179  -4.554  -2.510
  159   1HE   LYS  20          HE2       LYS  20  26.159  -2.221  -1.999
  160   2HE   LYS  20          HE1       LYS  20  26.603  -1.829  -3.660
  161   1HZ   LYS  20          HZ1       LYS  20  25.310  -3.680  -4.442
  162   2HZ   LYS  20          HZ2       LYS  20  24.332  -2.695  -3.462
  163   3HZ   LYS  20          HZ3       LYS  20  24.947  -4.158  -2.855
  164    HN   LYN  21           HN       LYN  21  31.043  -0.518  -3.875
  165    HA   LYN  21           HA       LYN  21  30.704   2.396  -3.683
  166    HB1  LYN  21           HB1      LYN  21  33.198   2.716  -4.209
  167    HB2  LYN  21           HB2      LYN  21  33.416   1.058  -3.646
  168    HG1  LYN  21           HG1      LYN  21  33.800   2.697  -1.825
  169    HG2  LYN  21           HG2      LYN  21  32.421   1.654  -1.476
  170    HD1  LYN  21           HD1      LYN  21  30.883   3.357  -1.794
  171    HD2  LYN  21           HD2      LYN  21  31.918   4.219  -2.934
  172    HE1  LYN  21           HE1      LYN  21  32.091   5.582  -1.050
  173    HE2  LYN  21           HE2      LYN  21  33.476   4.513  -0.822
  174    HZ1  LYN  21           HZ1      LYN  21  30.815   3.873   0.295
  175    HZ2  LYN  21           HZ2      LYN  21  31.927   4.840   1.140
  176    HZ3  LYN  21           HZ3      LYN  21  32.324   3.238   0.737
  177    H1   LYN  21           H1       LYN  21  29.457   0.779  -5.537
  178    H2   LYN  21           H2       LYN  21  30.182   0.940  -7.063
  Start of MODEL    9
    1   1H    HIS   1          HT1       HIS   1   3.950  -6.591  -2.692
    2   2H    HIS   1          HT2       HIS   1   4.494  -8.146  -2.274
    3   3H    HIS   1          HT3       HIS   1   3.229  -7.957  -3.393
    4    HA   HIS   1           HA       HIS   1   5.311  -8.510  -4.505
    5   1HB   HIS   1          HB2       HIS   1   3.547  -6.998  -5.535
    6   2HB   HIS   1          HB1       HIS   1   4.532  -5.628  -5.019
    7    HD1  HIS   1           HD1      HIS   1   5.234  -4.913  -7.390
    8    HD2  HIS   1           HD2      HIS   1   6.217  -8.867  -6.510
    9    HE1  HIS   1           HE1      HIS   1   6.771  -5.698  -9.243
   10    H    SER   2           HN       SER   2   7.497  -7.832  -5.016
   11    HA   SER   2           HA       SER   2   8.723  -5.542  -3.772
   12   1HB   SER   2          HB2       SER   2   9.006  -8.225  -2.415
   13   2HB   SER   2          HB1       SER   2  10.213  -6.957  -2.230
   14    HG   SER   2           HG       SER   2   8.549  -5.600  -1.456
   15    H    ASP   3           HN       ASP   3  11.129  -5.576  -4.137
   16    HA   ASP   3           HA       ASP   3  12.389  -7.680  -5.643
   17   1HB   ASP   3          HB2       ASP   3  10.636  -6.648  -7.261
   18   2HB   ASP   3          HB1       ASP   3  11.752  -5.286  -7.349
   19    H    GLY   4           HN       GLY   4  13.820  -6.781  -3.760
   20   1HA   GLY   4          HA2       GLY   4  15.831  -5.654  -3.238
   21   2HA   GLY   4          HA1       GLY   4  15.866  -5.063  -4.903
   22    H    ILE   5           HN       ILE   5  15.463  -2.929  -5.188
   23    HA   ILE   5           HA       ILE   5  15.225  -0.983  -3.284
   24    HB   ILE   5           HB       ILE   5  15.386  -0.210  -5.497
   25   1HG1  ILE   5          HG12      ILE   5  12.525   0.280  -4.600
   26   2HG1  ILE   5          HG11      ILE   5  13.929   1.277  -4.215
   27   1HG2  ILE   5          HG21      ILE   5  13.120  -0.823  -6.916
   28   2HG2  ILE   5          HG22      ILE   5  13.345  -2.280  -5.947
   29   3HG2  ILE   5          HG23      ILE   5  14.637  -1.719  -7.009
   30   1HD1  ILE   5          HD11      ILE   5  14.219   1.478  -6.788
   31   2HD1  ILE   5          HD12      ILE   5  12.936   2.415  -6.023
   32   3HD1  ILE   5          HD13      ILE   5  12.548   0.918  -6.870
   33    H    PHE   6           HN       PHE   6  12.652  -3.146  -4.292
   34    HA   PHE   6           HA       PHE   6  10.814  -1.746  -2.402
   35   1HB   PHE   6          HB2       PHE   6  10.443  -3.156  -4.950
   36   2HB   PHE   6          HB1       PHE   6   9.291  -3.636  -3.701
   37    HD1  PHE   6           HD1      PHE   6  10.729  -0.708  -5.484
   38    HD2  PHE   6           HD2      PHE   6   7.557  -2.179  -2.992
   39    HE1  PHE   6           HE1      PHE   6   9.485   1.413  -5.819
   40    HE2  PHE   6           HE2      PHE   6   6.309  -0.059  -3.326
   41    HZ   PHE   6           HZ       PHE   6   7.274   1.738  -4.739
   42    H    THR   7           HN       THR   7  12.102  -2.851  -0.628
   43    HA   THR   7           HA       THR   7  10.692  -5.112   0.351
   44    HB   THR   7           HB       THR   7  11.967  -6.299  -1.425
   45    HG1  THR   7           HG1      THR   7  11.570  -7.028   0.932
   46   1HG2  THR   7          HG21      THR   7  14.107  -5.760  -1.811
   47   2HG2  THR   7          HG22      THR   7  14.535  -6.366  -0.211
   48   3HG2  THR   7          HG23      THR   7  14.095  -4.671  -0.424
   49    H    ASP   8           HN       ASP   8  13.339  -6.102   1.638
   50    HA   ASP   8           HA       ASP   8  13.349  -3.940   3.668
   51   1HB   ASP   8          HB2       ASP   8  12.859  -6.139   4.552
   52   2HB   ASP   8          HB1       ASP   8  14.295  -6.812   3.780
   53    H    SER   9           HN       SER   9  15.778  -6.176   2.263
   54    HA   SER   9           HA       SER   9  18.121  -5.003   3.039
   55   1HB   SER   9          HB2       SER   9  18.848  -5.415   0.516
   56   2HB   SER   9          HB1       SER   9  18.537  -6.752   1.614
   57    HG   SER   9           HG       SER   9  17.329  -6.224  -0.657
   58    H    TYR  10           HN       TYR  10  16.590  -3.977  -0.048
   59    HA   TYR  10           HA       TYR  10  18.108  -1.747  -0.585
   60   1HB   TYR  10          HB2       TYR  10  16.558  -1.481  -2.186
   61   2HB   TYR  10          HB1       TYR  10  15.625  -2.752  -1.425
   62    HD1  TYR  10           HD1      TYR  10  15.908   0.841  -2.011
   63    HD2  TYR  10           HD2      TYR  10  13.840  -2.184   0.230
   64    HE1  TYR  10           HE1      TYR  10  14.132   2.473  -1.442
   65    HE2  TYR  10           HE2      TYR  10  12.065  -0.553   0.800
   66    HH   TYR  10           HH       TYR  10  12.407   2.714   0.486
   67    H    SER  11           HN       SER  11  15.296  -1.799   1.613
   68    HA   SER  11           HA       SER  11  15.365   0.915   2.364
   69   1HB   SER  11          HB2       SER  11  13.559  -0.494   3.074
   70   2HB   SER  11          HB1       SER  11  14.651  -1.558   3.958
   71    HG   SER  11           HG       SER  11  13.420   0.232   5.109
   72    H    ARG  12           HN       ARG  12  16.936  -1.828   4.076
   73    HA   ARG  12           HA       ARG  12  18.519  -0.113   5.763
   74   1HB   ARG  12          HB2       ARG  12  19.648  -2.091   6.442
   75   2HB   ARG  12          HB1       ARG  12  18.025  -2.645   6.041
   76   1HG   ARG  12          HG2       ARG  12  18.737  -3.537   3.955
   77   2HG   ARG  12          HG1       ARG  12  20.287  -2.704   4.032
   78   1HD   ARG  12          HD2       ARG  12  20.431  -5.142   4.607
   79   2HD   ARG  12          HD1       ARG  12  20.997  -4.080   5.896
   80    HE   ARG  12           HE       ARG  12  18.385  -4.436   6.591
   81   1HH1  ARG  12          HH21      ARG  12  20.990  -5.979   7.542
   82   2HH1  ARG  12          HH22      ARG  12  20.347  -7.587   7.588
   83   1HH2  ARG  12          HH11      ARG  12  17.488  -6.781   5.801
   84   2HH2  ARG  12          HH12      ARG  12  18.365  -8.041   6.603
   85    H    TYR  13           HN       TYR  13  18.755  -1.194   2.501
   86    HA   TYR  13           HA       TYR  13  21.587  -0.413   2.222
   87   1HB   TYR  13          HB2       TYR  13  21.341  -2.158   0.768
   88   2HB   TYR  13          HB1       TYR  13  19.595  -1.965   0.691
   89    HD1  TYR  13           HD1      TYR  13  22.688  -1.499  -1.023
   90    HD2  TYR  13           HD2      TYR  13  18.684   0.019  -0.725
   91    HE1  TYR  13           HE1      TYR  13  22.917  -0.458  -3.260
   92    HE2  TYR  13           HE2      TYR  13  18.910   1.063  -2.960
   93    HH   TYR  13           HH       TYR  13  20.912   0.269  -5.163
   94    H    ARG  14           HN       ARG  14  18.828   1.233   2.555
   95    HA   ARG  14           HA       ARG  14  19.438   3.262   0.455
   96   1HB   ARG  14          HB2       ARG  14  16.956   2.724   2.114
   97   2HB   ARG  14          HB1       ARG  14  17.158   4.186   1.156
   98   1HG   ARG  14          HG2       ARG  14  17.853   1.909  -0.454
   99   2HG   ARG  14          HG1       ARG  14  16.262   1.653   0.262
  100   1HD   ARG  14          HD2       ARG  14  15.989   2.834  -1.851
  101   2HD   ARG  14          HD1       ARG  14  15.591   3.931  -0.528
  102    HE   ARG  14           HE       ARG  14  18.379   4.059  -1.466
  103   1HH1  ARG  14          HH11      ARG  14  15.868   5.885  -0.372
  104   2HH1  ARG  14          HH12      ARG  14  15.999   7.147  -1.550
  105   1HH2  ARG  14          HH21      ARG  14  18.253   5.418  -3.540
  106   2HH2  ARG  14          HH22      ARG  14  17.349   6.883  -3.344
  107    H    LYS  15           HN       LYS  15  18.009   3.486   3.722
  108    HA   LYS  15           HA       LYS  15  18.913   6.010   4.419
  109   1HB   LYS  15          HB2       LYS  15  19.155   3.806   6.453
  110   2HB   LYS  15          HB1       LYS  15  18.535   5.440   6.661
  111   1HG   LYS  15          HG2       LYS  15  17.178   3.076   5.366
  112   2HG   LYS  15          HG1       LYS  15  16.602   4.073   6.701
  113   1HD   LYS  15          HD2       LYS  15  16.873   5.971   4.783
  114   2HD   LYS  15          HD1       LYS  15  16.483   4.574   3.780
  115   1HE   LYS  15          HE2       LYS  15  14.351   4.441   4.570
  116   2HE   LYS  15          HE1       LYS  15  14.832   4.856   6.215
  117   1HZ   LYS  15          HZ1       LYS  15  13.683   6.719   5.587
  118   2HZ   LYS  15          HZ2       LYS  15  14.178   6.628   3.964
  119   3HZ   LYS  15          HZ3       LYS  15  15.260   7.172   5.157
  120    H    GLN  16           HN       GLN  16  20.675   3.000   5.236
  121    HA   GLN  16           HA       GLN  16  23.038   4.054   6.212
  122   1HB   GLN  16          HB2       GLN  16  24.169   2.053   5.472
  123   2HB   GLN  16          HB1       GLN  16  22.521   1.596   5.900
  124   1HG   GLN  16          HG2       GLN  16  21.859   1.662   3.545
  125   2HG   GLN  16          HG1       GLN  16  23.468   2.220   3.086
  126   1HE2  GLN  16          HE21      GLN  16  22.809  -0.270   5.560
  127   2HE2  GLN  16          HE22      GLN  16  23.544  -1.541   4.708
  128    H    MET  17           HN       MET  17  22.052   3.867   2.818
  129    HA   MET  17           HA       MET  17  24.348   4.463   1.427
  130   1HB   MET  17          HB2       MET  17  22.127   4.316   0.358
  131   2HB   MET  17          HB1       MET  17  21.693   5.879   1.051
  132   1HG   MET  17          HG2       MET  17  22.941   7.035  -0.462
  133   2HG   MET  17          HG1       MET  17  24.245   5.848  -0.437
  134   1HE   MET  17          HE1       MET  17  22.755   2.999  -1.325
  135   2HE   MET  17          HE2       MET  17  24.329   3.785  -1.409
  136   3HE   MET  17          HE3       MET  17  23.537   3.255  -2.890
  137    H    ALA  18           HN       ALA  18  22.249   7.157   2.493
  138    HA   ALA  18           HA       ALA  18  23.977   9.257   2.127
  139   1HB   ALA  18          HB1       ALA  18  21.825   8.698   4.076
  140   2HB   ALA  18          HB2       ALA  18  22.043  10.085   3.008
  141   3HB   ALA  18          HB3       ALA  18  22.934   9.994   4.527
  142    H    VAL  19           HN       VAL  19  23.825   7.388   5.156
  143    HA   VAL  19           HA       VAL  19  25.888   8.517   6.595
  144    HB   VAL  19           HB       VAL  19  25.044   5.648   6.272
  145   1HG1  VAL  19          HG11      VAL  19  27.468   5.513   6.625
  146   2HG1  VAL  19          HG12      VAL  19  26.621   5.032   8.095
  147   3HG1  VAL  19          HG13      VAL  19  27.350   6.634   7.982
  148   1HG2  VAL  19          HG21      VAL  19  24.143   5.946   8.434
  149   2HG2  VAL  19          HG22      VAL  19  23.864   7.507   7.664
  150   3HG2  VAL  19          HG23      VAL  19  25.207   7.306   8.788
  151    H    LYS  20           HN       LYS  20  26.423   5.921   4.151
  152    HA   LYS  20           HA       LYS  20  29.310   6.373   4.237
  153   1HB   LYS  20          HB2       LYS  20  27.802   4.775   2.161
  154   2HB   LYS  20          HB1       LYS  20  29.469   4.562   2.699
  155   1HG   LYS  20          HG2       LYS  20  28.835   3.581   4.719
  156   2HG   LYS  20          HG1       LYS  20  27.234   4.319   4.690
  157   1HD   LYS  20          HD2       LYS  20  28.105   2.254   2.659
  158   2HD   LYS  20          HD1       LYS  20  27.309   1.820   4.172
  159   1HE   LYS  20          HE2       LYS  20  25.305   2.876   3.573
  160   2HE   LYS  20          HE1       LYS  20  26.094   3.909   2.381
  161   1HZ   LYS  20          HZ1       LYS  20  25.458   2.421   0.882
  162   2HZ   LYS  20          HZ2       LYS  20  24.994   1.296   2.067
  163   3HZ   LYS  20          HZ3       LYS  20  26.607   1.360   1.537
  164    HN   LYN  21           HN       LYN  21  27.036   8.311   3.052
  165    HA   LYN  21           HA       LYN  21  28.283   8.777   0.402
  166    HB1  LYN  21           HB1      LYN  21  26.156  10.594   1.403
  167    HB2  LYN  21           HB2      LYN  21  25.685   8.912   1.154
  168    HG1  LYN  21           HG1      LYN  21  27.317  10.143  -1.002
  169    HG2  LYN  21           HG2      LYN  21  25.674  10.762  -0.828
  170    HD1  LYN  21           HD1      LYN  21  25.183   8.108  -0.634
  171    HD2  LYN  21           HD2      LYN  21  26.613   8.067  -1.666
  172    HE1  LYN  21           HE1      LYN  21  25.137  10.120  -2.774
  173    HE2  LYN  21           HE2      LYN  21  23.885   8.982  -2.274
  174    HZ1  LYN  21           HZ1      LYN  21  25.226   8.786  -4.563
  175    HZ2  LYN  21           HZ2      LYN  21  24.557   7.451  -3.753
  176    HZ3  LYN  21           HZ3      LYN  21  26.205   7.820  -3.571
  177    H1   LYN  21           H1       LYN  21  30.140   9.337   2.375
  178    H2   LYN  21           H2       LYN  21  30.324  11.013   2.566
  Start of MODEL   10
    1   1H    HIS   1          HT1       HIS   1   6.877  -0.948   0.772
    2   2H    HIS   1          HT2       HIS   1   6.095  -1.493   2.177
    3   3H    HIS   1          HT3       HIS   1   5.712   0.027   1.524
    4    HA   HIS   1           HA       HIS   1   5.144  -2.625   0.322
    5   1HB   HIS   1          HB2       HIS   1   2.779  -1.742   0.494
    6   2HB   HIS   1          HB1       HIS   1   3.553  -2.064   2.046
    7    HD1  HIS   1           HD1      HIS   1   4.197  -0.029   3.513
    8    HD2  HIS   1           HD2      HIS   1   2.376   1.026  -0.085
    9    HE1  HIS   1           HE1      HIS   1   3.621   2.430   3.697
   10    H    SER   2           HN       SER   2   5.445   0.853  -0.134
   11    HA   SER   2           HA       SER   2   5.718   0.581  -2.989
   12   1HB   SER   2          HB2       SER   2   3.062   1.456  -1.883
   13   2HB   SER   2          HB1       SER   2   3.615   1.979  -3.470
   14    HG   SER   2           HG       SER   2   3.777  -0.198  -4.069
   15    H    ASP   3           HN       ASP   3   6.798   2.035  -0.538
   16    HA   ASP   3           HA       ASP   3   6.616   4.776  -1.716
   17   1HB   ASP   3          HB2       ASP   3   7.194   4.238   1.186
   18   2HB   ASP   3          HB1       ASP   3   6.646   5.720   0.422
   19    H    GLY   4           HN       GLY   4   8.540   3.187  -2.741
   20   1HA   GLY   4          HA2       GLY   4  10.900   2.928  -2.936
   21   2HA   GLY   4          HA1       GLY   4  10.950   4.591  -2.337
   22    H    ILE   5           HN       ILE   5  11.495   4.962  -0.172
   23    HA   ILE   5           HA       ILE   5  13.107   3.249   1.264
   24    HB   ILE   5           HB       ILE   5  12.856   5.423   2.143
   25   1HG1  ILE   5          HG12      ILE   5  12.874   3.429   3.834
   26   2HG1  ILE   5          HG11      ILE   5  12.511   5.045   4.436
   27   1HG2  ILE   5          HG21      ILE   5  10.461   6.003   3.100
   28   2HG2  ILE   5          HG22      ILE   5   9.939   4.804   1.915
   29   3HG2  ILE   5          HG23      ILE   5  10.828   6.235   1.390
   30   1HD1  ILE   5          HD11      ILE   5  10.108   3.681   3.498
   31   2HD1  ILE   5          HD12      ILE   5  10.428   4.436   5.059
   32   3HD1  ILE   5          HD13      ILE   5  10.927   2.770   4.767
   33    H    PHE   6           HN       PHE   6   9.628   3.036   0.942
   34    HA   PHE   6           HA       PHE   6   9.637   0.682   2.775
   35   1HB   PHE   6          HB2       PHE   6   7.829   2.863   2.444
   36   2HB   PHE   6          HB1       PHE   6   7.000   1.392   1.933
   37    HD1  PHE   6           HD1      PHE   6   7.824  -0.725   3.538
   38    HD2  PHE   6           HD2      PHE   6   7.455   3.402   4.653
   39    HE1  PHE   6           HE1      PHE   6   7.558  -1.392   5.916
   40    HE2  PHE   6           HE2      PHE   6   7.186   2.742   7.032
   41    HZ   PHE   6           HZ       PHE   6   7.238   0.341   7.663
   42    H    THR   7           HN       THR   7  10.660  -0.533   0.897
   43    HA   THR   7           HA       THR   7   8.724  -2.088  -0.465
   44    HB   THR   7           HB       THR   7   8.343  -0.068  -1.807
   45    HG1  THR   7           HG1      THR   7   8.555  -1.073  -3.745
   46   1HG2  THR   7          HG21      THR   7  10.726   0.090  -3.318
   47   2HG2  THR   7          HG22      THR   7  11.206   0.107  -1.621
   48   3HG2  THR   7          HG23      THR   7  10.064   1.307  -2.226
   49    H    ASP   8           HN       ASP   8  10.607  -2.248  -2.912
   50    HA   ASP   8           HA       ASP   8  12.563  -3.999  -1.534
   51   1HB   ASP   8          HB2       ASP   8  11.312  -5.123  -3.254
   52   2HB   ASP   8          HB1       ASP   8  11.651  -3.837  -4.413
   53    H    SER   9           HN       SER   9  12.594  -1.762  -4.348
   54    HA   SER   9           HA       SER   9  15.270  -1.471  -4.811
   55   1HB   SER   9          HB2       SER   9  14.668   1.140  -4.860
   56   2HB   SER   9          HB1       SER   9  14.143   0.021  -6.111
   57    HG   SER   9           HG       SER   9  12.699   1.326  -4.161
   58    H    TYR  10           HN       TYR  10  13.658   0.674  -2.418
   59    HA   TYR  10           HA       TYR  10  15.905   1.776  -1.244
   60   1HB   TYR  10          HB2       TYR  10  14.338   2.627   0.121
   61   2HB   TYR  10          HB1       TYR  10  13.172   1.541  -0.605
   62    HD1  TYR  10           HD1      TYR  10  12.477  -0.504   0.509
   63    HD2  TYR  10           HD2      TYR  10  15.464   2.046   2.247
   64    HE1  TYR  10           HE1      TYR  10  12.268  -1.726   2.656
   65    HE2  TYR  10           HE2      TYR  10  15.256   0.824   4.394
   66    HH   TYR  10           HH       TYR  10  12.969  -1.893   4.749
   67    H    SER  11           HN       SER  11  14.366  -1.284  -0.248
   68    HA   SER  11           HA       SER  11  16.132  -2.073   1.753
   69   1HB   SER  11          HB2       SER  11  14.161  -3.381   1.168
   70   2HB   SER  11          HB1       SER  11  14.842  -3.765  -0.410
   71    HG   SER  11           HG       SER  11  15.116  -5.402   1.272
   72    H    ARG  12           HN       ARG  12  16.488  -2.666  -1.755
   73    HA   ARG  12           HA       ARG  12  19.189  -3.711  -1.443
   74   1HB   ARG  12          HB2       ARG  12  19.206  -3.913  -3.813
   75   2HB   ARG  12          HB1       ARG  12  17.530  -4.211  -3.361
   76   1HG   ARG  12          HG2       ARG  12  16.830  -2.094  -4.102
   77   2HG   ARG  12          HG1       ARG  12  18.463  -1.437  -4.100
   78   1HD   ARG  12          HD2       ARG  12  17.375  -3.545  -5.985
   79   2HD   ARG  12          HD1       ARG  12  17.779  -1.878  -6.397
   80    HE   ARG  12           HE       ARG  12  20.167  -2.713  -5.491
   81   1HH1  ARG  12          HH11      ARG  12  19.046  -2.894  -8.441
   82   2HH1  ARG  12          HH12      ARG  12  19.664  -4.453  -8.875
   83   1HH2  ARG  12          HH21      ARG  12  20.449  -5.342  -5.616
   84   2HH2  ARG  12          HH22      ARG  12  20.458  -5.839  -7.276
   85    H    TYR  13           HN       TYR  13  17.719  -0.611  -1.791
   86    HA   TYR  13           HA       TYR  13  20.222   0.710  -2.607
   87   1HB   TYR  13          HB2       TYR  13  18.665   2.045  -3.561
   88   2HB   TYR  13          HB1       TYR  13  17.374   1.334  -2.603
   89    HD1  TYR  13           HD1      TYR  13  19.213   4.280  -3.232
   90    HD2  TYR  13           HD2      TYR  13  17.315   2.098  -0.056
   91    HE1  TYR  13           HE1      TYR  13  19.087   6.355  -1.883
   92    HE2  TYR  13           HE2      TYR  13  17.190   4.171   1.294
   93    HH   TYR  13           HH       TYR  13  18.586   6.424   1.338
   94    H    ARG  14           HN       ARG  14  19.033  -0.476   0.247
   95    HA   ARG  14           HA       ARG  14  19.992   1.764   1.928
   96   1HB   ARG  14          HB2       ARG  14  17.910   0.197   2.370
   97   2HB   ARG  14          HB1       ARG  14  19.129  -0.890   3.036
   98   1HG   ARG  14          HG2       ARG  14  19.919   1.380   4.228
   99   2HG   ARG  14          HG1       ARG  14  18.208   1.762   4.033
  100   1HD   ARG  14          HD2       ARG  14  17.624   0.338   5.679
  101   2HD   ARG  14          HD1       ARG  14  18.573  -0.966   4.966
  102    HE   ARG  14           HE       ARG  14  20.517   0.566   6.115
  103   1HH1  ARG  14          HH21      ARG  14  17.545   0.830   7.545
  104   2HH1  ARG  14          HH22      ARG  14  17.982   0.095   9.051
  105   1HH2  ARG  14          HH11      ARG  14  21.067  -1.012   7.921
  106   2HH2  ARG  14          HH12      ARG  14  19.976  -0.947   9.264
  107    H    LYS  15           HN       LYS  15  20.529  -1.765   2.172
  108    HA   LYS  15           HA       LYS  15  22.912  -1.768   3.559
  109   1HB   LYS  15          HB2       LYS  15  21.968  -3.527   1.298
  110   2HB   LYS  15          HB1       LYS  15  23.518  -3.816   2.088
  111   1HG   LYS  15          HG2       LYS  15  22.139  -5.128   3.411
  112   2HG   LYS  15          HG1       LYS  15  22.053  -3.601   4.291
  113   1HD   LYS  15          HD2       LYS  15  19.877  -3.251   3.726
  114   2HD   LYS  15          HD1       LYS  15  20.105  -3.863   2.087
  115   1HE   LYS  15          HE2       LYS  15  18.684  -5.454   3.129
  116   2HE   LYS  15          HE1       LYS  15  20.285  -6.192   3.164
  117   1HZ   LYS  15          HZ1       LYS  15  19.079  -6.313   5.303
  118   2HZ   LYS  15          HZ2       LYS  15  19.128  -4.617   5.398
  119   3HZ   LYS  15          HZ3       LYS  15  20.571  -5.515   5.418
  120    H    GLN  16           HN       GLN  16  22.518  -1.108   0.088
  121    HA   GLN  16           HA       GLN  16  25.111  -1.131  -0.856
  122   1HB   GLN  16          HB2       GLN  16  22.930   0.915  -1.323
  123   2HB   GLN  16          HB1       GLN  16  24.473   0.984  -2.171
  124   1HG   GLN  16          HG2       GLN  16  24.105  -1.071  -3.269
  125   2HG   GLN  16          HG1       GLN  16  22.843  -1.553  -2.135
  126   1HE2  GLN  16          HE21      GLN  16  21.607  -1.854  -4.302
  127   2HE2  GLN  16          HE22      GLN  16  20.797  -0.496  -4.920
  128    H    MET  17           HN       MET  17  23.646   1.458   1.113
  129    HA   MET  17           HA       MET  17  25.679   3.335   1.165
  130   1HB   MET  17          HB2       MET  17  24.105   2.322   3.552
  131   2HB   MET  17          HB1       MET  17  24.999   3.842   3.499
  132   1HG   MET  17          HG2       MET  17  22.779   3.125   1.565
  133   2HG   MET  17          HG1       MET  17  22.542   4.097   3.018
  134   1HE   MET  17          HE1       MET  17  22.430   6.416  -0.230
  135   2HE   MET  17          HE2       MET  17  21.473   5.721   1.076
  136   3HE   MET  17          HE3       MET  17  22.097   4.679  -0.200
  137    H    ALA  18           HN       ALA  18  25.491   1.022   3.867
  138    HA   ALA  18           HA       ALA  18  28.087   1.248   4.784
  139   1HB   ALA  18          HB1       ALA  18  26.593  -1.374   4.520
  140   2HB   ALA  18          HB2       ALA  18  26.339  -0.203   5.814
  141   3HB   ALA  18          HB3       ALA  18  27.892  -1.024   5.659
  142    H    VAL  19           HN       VAL  19  27.056  -1.199   2.407
  143    HA   VAL  19           HA       VAL  19  29.446  -2.352   1.697
  144    HB   VAL  19           HB       VAL  19  27.097  -1.499   0.022
  145   1HG1  VAL  19          HG11      VAL  19  29.780  -2.396  -0.962
  146   2HG1  VAL  19          HG12      VAL  19  28.631  -1.281  -1.702
  147   3HG1  VAL  19          HG13      VAL  19  28.341  -3.019  -1.769
  148   1HG2  VAL  19          HG21      VAL  19  28.303  -4.248   0.353
  149   2HG2  VAL  19          HG22      VAL  19  26.639  -3.819  -0.042
  150   3HG2  VAL  19          HG23      VAL  19  27.251  -3.564   1.592
  151    H    LYS  20           HN       LYS  20  28.292   0.735   0.246
  152    HA   LYS  20           HA       LYS  20  30.884   1.226  -0.985
  153   1HB   LYS  20          HB2       LYS  20  28.688   3.256  -0.534
  154   2HB   LYS  20          HB1       LYS  20  29.920   3.254  -1.797
  155   1HG   LYS  20          HG2       LYS  20  28.936   1.283  -2.826
  156   2HG   LYS  20          HG1       LYS  20  27.774   1.133  -1.507
  157   1HD   LYS  20          HD2       LYS  20  27.928   3.674  -3.113
  158   2HD   LYS  20          HD1       LYS  20  27.006   2.295  -3.711
  159   1HE   LYS  20          HE2       LYS  20  25.762   2.247  -1.539
  160   2HE   LYS  20          HE1       LYS  20  26.612   3.717  -1.063
  161   1HZ   LYS  20          HZ1       LYS  20  24.840   4.689  -2.019
  162   2HZ   LYS  20          HZ2       LYS  20  24.478   3.349  -2.999
  163   3HZ   LYS  20          HZ3       LYS  20  25.708   4.430  -3.453
  164    HN   LYN  21           HN       LYN  21  31.309   3.939  -0.441
  165    HA   LYN  21           HA       LYN  21  31.291   4.707   2.277
  166    HB1  LYN  21           HB1      LYN  21  34.062   3.792   1.779
  167    HB2  LYN  21           HB2      LYN  21  32.884   2.509   2.056
  168    HG1  LYN  21           HG1      LYN  21  32.677   4.820   3.892
  169    HG2  LYN  21           HG2      LYN  21  34.155   3.870   4.054
  170    HD1  LYN  21           HD1      LYN  21  32.348   1.866   3.884
  171    HD2  LYN  21           HD2      LYN  21  31.334   3.110   4.617
  172    HE1  LYN  21           HE1      LYN  21  32.268   2.549   6.595
  173    HE2  LYN  21           HE2      LYN  21  33.761   3.276   6.002
  174    HZ1  LYN  21           HZ1      LYN  21  34.630   1.262   5.432
  175    HZ2  LYN  21           HZ2      LYN  21  33.114   0.534   5.193
  176    HZ3  LYN  21           HZ3      LYN  21  33.696   0.796   6.768
  177    H1   LYN  21           H1       LYN  21  33.443   6.272   2.626
  178    H2   LYN  21           H2       LYN  21  33.757   7.258   1.280
  Start of MODEL   11
    1   1H    HIS   1          HT1       HIS   1   1.828   3.215   1.453
    2   2H    HIS   1          HT2       HIS   1   0.729   4.474   1.145
    3   3H    HIS   1          HT3       HIS   1   2.236   4.812   1.853
    4    HA   HIS   1           HA       HIS   1   1.761   3.831  -0.909
    5   1HB   HIS   1          HB2       HIS   1   1.306   6.276  -0.374
    6   2HB   HIS   1          HB1       HIS   1   3.015   6.419   0.040
    7    HD1  HIS   1           HD1      HIS   1   3.709   7.865  -1.956
    8    HD2  HIS   1           HD2      HIS   1   1.805   4.335  -3.093
    9    HE1  HIS   1           HE1      HIS   1   4.014   7.661  -4.462
   10    H    SER   2           HN       SER   2   3.642   3.240  -2.044
   11    HA   SER   2           HA       SER   2   6.285   3.575  -0.859
   12   1HB   SER   2          HB2       SER   2   4.860   0.926  -0.763
   13   2HB   SER   2          HB1       SER   2   6.614   0.987  -0.905
   14    HG   SER   2           HG       SER   2   5.429   1.036   1.291
   15    H    ASP   3           HN       ASP   3   7.975   2.604  -2.316
   16    HA   ASP   3           HA       ASP   3   7.273   1.478  -4.873
   17   1HB   ASP   3          HB2       ASP   3   6.440   3.925  -4.979
   18   2HB   ASP   3          HB1       ASP   3   8.148   4.352  -5.065
   19    H    GLY   4           HN       GLY   4   9.189   0.282  -3.727
   20   1HA   GLY   4          HA2       GLY   4  11.482  -0.267  -3.920
   21   2HA   GLY   4          HA1       GLY   4  11.669   1.107  -5.014
   22    H    ILE   5           HN       ILE   5  12.738   2.855  -4.227
   23    HA   ILE   5           HA       ILE   5  14.142   3.027  -1.881
   24    HB   ILE   5           HB       ILE   5  14.479   4.786  -3.410
   25   1HG1  ILE   5          HG12      ILE   5  12.907   5.901  -1.063
   26   2HG1  ILE   5          HG11      ILE   5  14.649   5.638  -1.133
   27   1HG2  ILE   5          HG21      ILE   5  11.490   5.184  -3.217
   28   2HG2  ILE   5          HG22      ILE   5  12.431   4.715  -4.633
   29   3HG2  ILE   5          HG23      ILE   5  12.561   6.353  -3.991
   30   1HD1  ILE   5          HD11      ILE   5  14.355   7.958  -1.574
   31   2HD1  ILE   5          HD12      ILE   5  13.007   7.655  -2.670
   32   3HD1  ILE   5          HD13      ILE   5  14.648   7.223  -3.150
   33    H    PHE   6           HN       PHE   6  10.675   3.440  -2.196
   34    HA   PHE   6           HA       PHE   6  10.553   4.068   0.722
   35   1HB   PHE   6          HB2       PHE   6   8.965   4.893  -1.609
   36   2HB   PHE   6          HB1       PHE   6   7.990   4.376  -0.231
   37    HD1  PHE   6           HD1      PHE   6  10.413   6.832  -1.471
   38    HD2  PHE   6           HD2      PHE   6   8.155   5.517   1.936
   39    HE1  PHE   6           HE1      PHE   6  10.895   8.981  -0.325
   40    HE2  PHE   6           HE2      PHE   6   8.635   7.665   3.085
   41    HZ   PHE   6           HZ       PHE   6  10.006   9.396   1.954
   42    H    THR   7           HN       THR   7  10.992   1.680   1.062
   43    HA   THR   7           HA       THR   7   8.590   0.289   1.658
   44    HB   THR   7           HB       THR   7   8.470   0.044  -0.811
   45    HG1  THR   7           HG1      THR   7   7.586  -1.606   0.348
   46   1HG2  THR   7          HG21      THR   7  10.547  -1.917  -1.117
   47   2HG2  THR   7          HG22      THR   7  11.248  -0.410  -0.527
   48   3HG2  THR   7          HG23      THR   7  10.303  -0.420  -2.017
   49    H    ASP   8           HN       ASP   8  10.025  -2.362   0.925
   50    HA   ASP   8           HA       ASP   8  11.781  -2.280   3.314
   51   1HB   ASP   8          HB2       ASP   8  10.110  -3.993   3.451
   52   2HB   ASP   8          HB1       ASP   8  10.470  -4.557   1.819
   53    H    SER   9           HN       SER   9  11.827  -3.919   0.118
   54    HA   SER   9           HA       SER   9  14.413  -4.774  -0.044
   55   1HB   SER   9          HB2       SER   9  14.316  -3.695  -2.486
   56   2HB   SER   9          HB1       SER   9  13.382  -5.119  -2.049
   57    HG   SER   9           HG       SER   9  12.404  -2.962  -2.994
   58    H    TYR  10           HN       TYR  10  13.590  -1.448  -1.140
   59    HA   TYR  10           HA       TYR  10  16.149  -0.438  -1.411
   60   1HB   TYR  10          HB2       TYR  10  14.989   1.456  -1.754
   61   2HB   TYR  10          HB1       TYR  10  13.546   0.626  -1.207
   62    HD1  TYR  10           HD1      TYR  10  16.270   2.918  -0.240
   63    HD2  TYR  10           HD2      TYR  10  12.699   0.918   1.067
   64    HE1  TYR  10           HE1      TYR  10  16.172   4.390   1.752
   65    HE2  TYR  10           HE2      TYR  10  12.601   2.391   3.058
   66    HH   TYR  10           HH       TYR  10  15.227   4.509   3.905
   67    H    SER  11           HN       SER  11  14.262  -0.455   1.619
   68    HA   SER  11           HA       SER  11  16.148   0.662   3.342
   69   1HB   SER  11          HB2       SER  11  13.892   0.031   4.061
   70   2HB   SER  11          HB1       SER  11  14.286  -1.676   3.866
   71    HG   SER  11           HG       SER  11  14.484  -0.676   6.054
   72    H    ARG  12           HN       ARG  12  15.841  -2.788   2.455
   73    HA   ARG  12           HA       ARG  12  18.329  -3.498   3.790
   74   1HB   ARG  12          HB2       ARG  12  17.944  -5.701   2.973
   75   2HB   ARG  12          HB1       ARG  12  16.334  -5.056   3.275
   76   1HG   ARG  12          HG2       ARG  12  15.917  -4.710   0.983
   77   2HG   ARG  12          HG1       ARG  12  17.619  -4.835   0.551
   78   1HD   ARG  12          HD2       ARG  12  16.799  -7.240   1.901
   79   2HD   ARG  12          HD1       ARG  12  15.690  -6.908   0.571
   80    HE   ARG  12           HE       ARG  12  18.653  -7.018   0.166
   81   1HH1  ARG  12          HH21      ARG  12  15.741  -6.644  -1.412
   82   2HH1  ARG  12          HH22      ARG  12  15.993  -7.904  -2.573
   83   1HH2  ARG  12          HH11      ARG  12  18.845  -9.124  -1.023
   84   2HH2  ARG  12          HH12      ARG  12  17.750  -9.309  -2.352
   85    H    TYR  13           HN       TYR  13  17.404  -2.270   0.703
   86    HA   TYR  13           HA       TYR  13  19.947  -3.023  -0.581
   87   1HB   TYR  13          HB2       TYR  13  18.524  -3.022  -2.341
   88   2HB   TYR  13          HB1       TYR  13  17.294  -2.159  -1.429
   89    HD1  TYR  13           HD1      TYR  13  17.768   0.429  -1.067
   90    HD2  TYR  13           HD2      TYR  13  19.525  -1.976  -4.161
   91    HE1  TYR  13           HE1      TYR  13  18.237   2.472  -2.388
   92    HE2  TYR  13           HE2      TYR  13  19.997   0.067  -5.482
   93    HH   TYR  13           HH       TYR  13  18.671   2.684  -5.354
   94    H    ARG  14           HN       ARG  14  19.007  -0.673   1.560
   95    HA   ARG  14           HA       ARG  14  20.614   1.495   0.340
   96   1HB   ARG  14          HB2       ARG  14  18.363   1.723   1.721
   97   2HB   ARG  14          HB1       ARG  14  19.457   1.662   3.103
   98   1HG   ARG  14          HG2       ARG  14  20.800   3.431   1.584
   99   2HG   ARG  14          HG1       ARG  14  19.164   3.758   1.011
  100   1HD   ARG  14          HD2       ARG  14  18.395   4.262   3.226
  101   2HD   ARG  14          HD1       ARG  14  19.882   3.649   3.949
  102    HE   ARG  14           HE       ARG  14  20.774   5.792   3.610
  103   1HH1  ARG  14          HH11      ARG  14  17.841   5.566   1.928
  104   2HH1  ARG  14          HH12      ARG  14  18.177   6.873   0.842
  105   1HH2  ARG  14          HH21      ARG  14  21.447   7.279   1.921
  106   2HH2  ARG  14          HH22      ARG  14  20.219   7.843   0.838
  107    H    LYS  15           HN       LYS  15  20.500   0.221   3.682
  108    HA   LYS  15           HA       LYS  15  23.018   0.947   4.537
  109   1HB   LYS  15          HB2       LYS  15  21.491  -1.613   5.045
  110   2HB   LYS  15          HB1       LYS  15  23.007  -1.244   5.869
  111   1HG   LYS  15          HG2       LYS  15  21.537  -0.308   7.380
  112   2HG   LYS  15          HG1       LYS  15  21.760   1.079   6.313
  113   1HD   LYS  15          HD2       LYS  15  19.686   0.814   5.304
  114   2HD   LYS  15          HD1       LYS  15  19.622  -0.914   5.652
  115   1HE   LYS  15          HE2       LYS  15  19.558  -0.145   8.154
  116   2HE   LYS  15          HE1       LYS  15  19.043   1.402   7.481
  117   1HZ   LYS  15          HZ1       LYS  15  17.244   0.275   6.340
  118   2HZ   LYS  15          HZ2       LYS  15  17.157  -0.014   8.012
  119   3HZ   LYS  15          HZ3       LYS  15  17.744  -1.219   6.968
  120    H    GLN  16           HN       GLN  16  22.244  -1.809   2.430
  121    HA   GLN  16           HA       GLN  16  24.625  -3.209   2.340
  122   1HB   GLN  16          HB2       GLN  16  22.817  -2.373   0.060
  123   2HB   GLN  16          HB1       GLN  16  24.202  -3.435  -0.182
  124   1HG   GLN  16          HG2       GLN  16  23.292  -5.140   1.165
  125   2HG   GLN  16          HG1       GLN  16  22.153  -4.042   1.943
  126   1HE2  GLN  16          HE21      GLN  16  20.592  -5.869   1.162
  127   2HE2  GLN  16          HE22      GLN  16  19.949  -5.701  -0.399
  128    H    MET  17           HN       MET  17  23.946  -0.189   0.551
  129    HA   MET  17           HA       MET  17  26.320   0.169  -0.822
  130   1HB   MET  17          HB2       MET  17  25.025   2.376   0.798
  131   2HB   MET  17          HB1       MET  17  25.952   2.546  -0.693
  132   1HG   MET  17          HG2       MET  17  24.046   0.794  -1.512
  133   2HG   MET  17          HG1       MET  17  23.137   1.703  -0.305
  134   1HE   MET  17          HE1       MET  17  21.453   2.703  -2.275
  135   2HE   MET  17          HE2       MET  17  22.368   1.466  -3.133
  136   3HE   MET  17          HE3       MET  17  22.152   3.056  -3.861
  137    H    ALA  18           HN       ALA  18  25.932   1.809   2.325
  138    HA   ALA  18           HA       ALA  18  28.590   2.316   2.866
  139   1HB   ALA  18          HB1       ALA  18  26.307   1.568   4.671
  140   2HB   ALA  18          HB2       ALA  18  27.106   3.129   4.485
  141   3HB   ALA  18          HB3       ALA  18  27.916   1.821   5.346
  142    H    VAL  19           HN       VAL  19  26.901  -0.637   3.935
  143    HA   VAL  19           HA       VAL  19  28.945  -2.107   5.031
  144    HB   VAL  19           HB       VAL  19  26.688  -2.922   3.217
  145   1HG1  VAL  19          HG11      VAL  19  27.340  -5.331   3.803
  146   2HG1  VAL  19          HG12      VAL  19  28.933  -4.692   4.209
  147   3HG1  VAL  19          HG13      VAL  19  28.316  -4.540   2.564
  148   1HG2  VAL  19          HG21      VAL  19  27.461  -3.418   6.108
  149   2HG2  VAL  19          HG22      VAL  19  26.082  -4.193   5.328
  150   3HG2  VAL  19          HG23      VAL  19  26.119  -2.440   5.514
  151    H    LYS  20           HN       LYS  20  28.325  -2.010   1.485
  152    HA   LYS  20           HA       LYS  20  30.915  -3.279   0.968
  153   1HB   LYS  20          HB2       LYS  20  29.123  -1.970  -1.082
  154   2HB   LYS  20          HB1       LYS  20  30.270  -3.289  -1.319
  155   1HG   LYS  20          HG2       LYS  20  28.894  -4.801  -0.017
  156   2HG   LYS  20          HG1       LYS  20  27.804  -3.489   0.431
  157   1HD   LYS  20          HD2       LYS  20  28.285  -4.094  -2.473
  158   2HD   LYS  20          HD1       LYS  20  27.149  -5.080  -1.551
  159   1HE   LYS  20          HE2       LYS  20  26.190  -2.764  -0.774
  160   2HE   LYS  20          HE1       LYS  20  27.004  -2.152  -2.214
  161   1HZ   LYS  20          HZ1       LYS  20  25.801  -3.734  -3.554
  162   2HZ   LYS  20          HZ2       LYS  20  24.703  -2.803  -2.652
  163   3HZ   LYS  20          HZ3       LYS  20  25.059  -4.396  -2.180
  164    HN   LYN  21           HN       LYN  21  31.383  -0.977   2.403
  165    HA   LYN  21           HA       LYN  21  32.032   1.180   0.491
  166    HB1  LYN  21           HB1      LYN  21  33.101   2.002   2.853
  167    HB2  LYN  21           HB2      LYN  21  31.850   0.904   3.438
  168    HG1  LYN  21           HG1      LYN  21  30.566   2.805   3.231
  169    HG2  LYN  21           HG2      LYN  21  30.417   2.211   1.576
  170    HD1  LYN  21           HD1      LYN  21  32.822   3.851   2.095
  171    HD2  LYN  21           HD2      LYN  21  31.292   4.718   2.234
  172    HE1  LYN  21           HE1      LYN  21  30.962   3.170  -0.055
  173    HE2  LYN  21           HE2      LYN  21  32.642   3.698  -0.153
  174    HZ1  LYN  21           HZ1      LYN  21  30.240   5.411   0.162
  175    HZ2  LYN  21           HZ2      LYN  21  31.290   5.346  -1.172
  176    HZ3  LYN  21           HZ3      LYN  21  31.830   5.983   0.307
  177    H1   LYN  21           H1       LYN  21  33.569  -0.721  -0.472
  178    H2   LYN  21           H2       LYN  21  35.168  -0.668   0.094
  Start of MODEL   12
    1   1H    HIS   1          HT1       HIS   1   2.292   6.631   5.572
    2   2H    HIS   1          HT2       HIS   1   3.901   6.981   5.154
    3   3H    HIS   1          HT3       HIS   1   3.554   5.688   6.201
    4    HA   HIS   1           HA       HIS   1   2.430   4.505   4.427
    5   1HB   HIS   1          HB2       HIS   1   1.743   6.648   3.254
    6   2HB   HIS   1          HB1       HIS   1   3.395   6.755   2.644
    7    HD1  HIS   1           HD1      HIS   1   2.844   6.264   0.189
    8    HD2  HIS   1           HD2      HIS   1   1.473   3.307   2.788
    9    HE1  HIS   1           HE1      HIS   1   2.109   4.321  -1.260
   10    H    SER   2           HN       SER   2   3.715   2.972   3.342
   11    HA   SER   2           HA       SER   2   6.477   3.565   2.619
   12   1HB   SER   2          HB2       SER   2   5.814   2.044   5.127
   13   2HB   SER   2          HB1       SER   2   7.273   1.657   4.220
   14    HG   SER   2           HG       SER   2   7.864   3.860   4.406
   15    H    ASP   3           HN       ASP   3   7.537   1.578   1.695
   16    HA   ASP   3           HA       ASP   3   6.050  -0.858   1.297
   17   1HB   ASP   3          HB2       ASP   3   4.770   0.919  -0.076
   18   2HB   ASP   3          HB1       ASP   3   6.154   0.871  -1.167
   19    H    GLY   4           HN       GLY   4   8.470  -1.238   1.938
   20   1HA   GLY   4          HA2       GLY   4  10.519  -2.158   1.195
   21   2HA   GLY   4          HA1       GLY   4   9.935  -1.991  -0.464
   22    H    ILE   5           HN       ILE   5  10.856  -0.412  -1.679
   23    HA   ILE   5           HA       ILE   5  13.061   1.091  -1.058
   24    HB   ILE   5           HB       ILE   5  12.344   1.197  -3.298
   25   1HG1  ILE   5          HG12      ILE   5  11.735   3.880  -2.012
   26   2HG1  ILE   5          HG11      ILE   5  13.292   3.344  -2.644
   27   1HG2  ILE   5          HG21      ILE   5  10.030   0.656  -3.045
   28   2HG2  ILE   5          HG22      ILE   5  10.087   2.214  -3.869
   29   3HG2  ILE   5          HG23      ILE   5   9.713   2.140  -2.147
   30   1HD1  ILE   5          HD11      ILE   5  11.854   2.969  -4.857
   31   2HD1  ILE   5          HD12      ILE   5  12.539   4.546  -4.467
   32   3HD1  ILE   5          HD13      ILE   5  10.843   4.212  -4.119
   33    H    PHE   6           HN       PHE   6   9.789   1.767   0.007
   34    HA   PHE   6           HA       PHE   6  10.802   4.255   1.313
   35   1HB   PHE   6          HB2       PHE   6   8.238   3.488   0.100
   36   2HB   PHE   6          HB1       PHE   6   8.074   4.256   1.681
   37    HD1  PHE   6           HD1      PHE   6   9.282   6.459   2.099
   38    HD2  PHE   6           HD2      PHE   6   8.800   4.754  -1.812
   39    HE1  PHE   6           HE1      PHE   6   9.753   8.672   1.077
   40    HE2  PHE   6           HE2      PHE   6   9.270   6.966  -2.837
   41    HZ   PHE   6           HZ       PHE   6   9.747   8.925  -1.391
   42    H    THR   7           HN       THR   7  11.824   2.749   2.957
   43    HA   THR   7           HA       THR   7  10.249   2.621   5.317
   44    HB   THR   7           HB       THR   7   9.134   0.754   4.119
   45    HG1  THR   7           HG1      THR   7   9.489   0.754   6.429
   46   1HG2  THR   7          HG21      THR   7  11.238  -1.188   4.369
   47   2HG2  THR   7          HG22      THR   7  11.788   0.147   3.356
   48   3HG2  THR   7          HG23      THR   7  10.320  -0.735   2.933
   49    H    ASP   8           HN       ASP   8  11.749   0.001   6.069
   50    HA   ASP   8           HA       ASP   8  14.294   1.419   6.631
   51   1HB   ASP   8          HB2       ASP   8  13.233   0.606   8.620
   52   2HB   ASP   8          HB1       ASP   8  12.969  -0.983   7.902
   53    H    SER   9           HN       SER   9  13.324  -1.961   5.897
   54    HA   SER   9           HA       SER   9  15.712  -3.105   5.244
   55   1HB   SER   9          HB2       SER   9  14.364  -4.048   3.140
   56   2HB   SER   9          HB1       SER   9  14.033  -4.576   4.784
   57    HG   SER   9           HG       SER   9  12.241  -3.718   3.316
   58    H    TYR  10           HN       TYR  10  13.819  -1.411   2.698
   59    HA   TYR  10           HA       TYR  10  15.743  -1.340   0.712
   60   1HB   TYR  10          HB2       TYR  10  14.177  -0.067  -0.275
   61   2HB   TYR  10          HB1       TYR  10  13.314  -0.012   1.249
   62    HD1  TYR  10           HD1      TYR  10  15.627   1.790  -0.985
   63    HD2  TYR  10           HD2      TYR  10  13.489   1.921   2.739
   64    HE1  TYR  10           HE1      TYR  10  16.080   4.221  -0.807
   65    HE2  TYR  10           HE2      TYR  10  13.942   4.351   2.915
   66    HH   TYR  10           HH       TYR  10  16.164   5.963   0.795
   67    H    SER  11           HN       SER  11  15.372   1.075   3.313
   68    HA   SER  11           HA       SER  11  17.525   2.742   2.709
   69   1HB   SER  11          HB2       SER  11  15.982   3.179   4.560
   70   2HB   SER  11          HB1       SER  11  16.604   1.781   5.436
   71    HG   SER  11           HG       SER  11  17.510   3.927   5.975
   72    H    ARG  12           HN       ARG  12  17.620  -0.218   4.713
   73    HA   ARG  12           HA       ARG  12  20.525  -0.206   4.859
   74   1HB   ARG  12          HB2       ARG  12  20.302  -2.265   6.045
   75   2HB   ARG  12          HB1       ARG  12  18.894  -1.318   6.516
   76   1HG   ARG  12          HG2       ARG  12  17.450  -2.567   5.135
   77   2HG   ARG  12          HG1       ARG  12  18.777  -3.261   4.207
   78   1HD   ARG  12          HD2       ARG  12  17.899  -4.929   5.767
   79   2HD   ARG  12          HD1       ARG  12  19.534  -4.468   6.243
   80    HE   ARG  12           HE       ARG  12  17.284  -3.046   7.550
   81   1HH1  ARG  12          HH11      ARG  12  20.357  -3.494   8.220
   82   2HH1  ARG  12          HH12      ARG  12  20.181  -4.419   9.674
   83   1HH2  ARG  12          HH21      ARG  12  16.809  -5.057   9.174
   84   2HH2  ARG  12          HH22      ARG  12  18.172  -5.304  10.214
   85    H    TYR  13           HN       TYR  13  18.144  -1.319   2.635
   86    HA   TYR  13           HA       TYR  13  20.000  -3.159   1.268
   87   1HB   TYR  13          HB2       TYR  13  18.000  -4.163   0.911
   88   2HB   TYR  13          HB1       TYR  13  17.113  -2.718   1.376
   89    HD1  TYR  13           HD1      TYR  13  17.904  -4.893  -1.296
   90    HD2  TYR  13           HD2      TYR  13  17.113  -0.764  -0.417
   91    HE1  TYR  13           HE1      TYR  13  17.321  -4.500  -3.672
   92    HE2  TYR  13           HE2      TYR  13  16.530  -0.370  -2.793
   93    HH   TYR  13           HH       TYR  13  15.704  -2.588  -4.874
   94    H    ARG  14           HN       ARG  14  19.616   0.113   1.351
   95    HA   ARG  14           HA       ARG  14  20.002   0.525  -1.562
   96   1HB   ARG  14          HB2       ARG  14  18.523   1.978   0.085
   97   2HB   ARG  14          HB1       ARG  14  20.066   2.758   0.438
   98   1HG   ARG  14          HG2       ARG  14  20.249   2.758  -2.227
   99   2HG   ARG  14          HG1       ARG  14  18.490   2.733  -2.099
  100   1HD   ARG  14          HD2       ARG  14  18.721   4.995  -1.926
  101   2HD   ARG  14          HD1       ARG  14  19.100   4.632  -0.242
  102    HE   ARG  14           HE       ARG  14  21.344   5.224  -0.680
  103   1HH1  ARG  14          HH11      ARG  14  19.544   6.140  -3.291
  104   2HH1  ARG  14          HH12      ARG  14  20.816   6.032  -4.463
  105   1HH2  ARG  14          HH21      ARG  14  23.020   4.435  -2.314
  106   2HH2  ARG  14          HH22      ARG  14  22.783   5.067  -3.909
  107    H    LYS  15           HN       LYS  15  21.564   2.009   1.297
  108    HA   LYS  15           HA       LYS  15  23.955   2.780   0.160
  109   1HB   LYS  15          HB2       LYS  15  23.367   1.627   2.885
  110   2HB   LYS  15          HB1       LYS  15  24.998   2.135   2.446
  111   1HG   LYS  15          HG2       LYS  15  24.204   4.124   3.313
  112   2HG   LYS  15          HG1       LYS  15  23.708   4.322   1.632
  113   1HD   LYS  15          HD2       LYS  15  21.499   4.131   2.132
  114   2HD   LYS  15          HD1       LYS  15  21.780   2.836   3.296
  115   1HE   LYS  15          HE2       LYS  15  22.942   5.016   4.533
  116   2HE   LYS  15          HE1       LYS  15  21.534   5.727   3.743
  117   1HZ   LYS  15          HZ1       LYS  15  20.094   4.298   4.864
  118   2HZ   LYS  15          HZ2       LYS  15  21.212   4.767   6.054
  119   3HZ   LYS  15          HZ3       LYS  15  21.335   3.238   5.324
  120    H    GLN  16           HN       GLN  16  23.239  -0.485   1.425
  121    HA   GLN  16           HA       GLN  16  25.655  -1.775   1.052
  122   1HB   GLN  16          HB2       GLN  16  22.864  -2.745   0.387
  123   2HB   GLN  16          HB1       GLN  16  24.278  -3.795   0.308
  124   1HG   GLN  16          HG2       GLN  16  23.218  -2.340   2.744
  125   2HG   GLN  16          HG1       GLN  16  23.294  -4.083   2.490
  126   1HE2  GLN  16          HE21      GLN  16  25.864  -4.502   1.563
  127   2HE2  GLN  16          HE22      GLN  16  27.004  -3.969   2.702
  128    H    MET  17           HN       MET  17  23.242  -1.130  -1.504
  129    HA   MET  17           HA       MET  17  24.441  -2.323  -3.694
  130   1HB   MET  17          HB2       MET  17  23.162   0.421  -3.548
  131   2HB   MET  17          HB1       MET  17  23.533  -0.416  -5.056
  132   1HG   MET  17          HG2       MET  17  22.182  -2.329  -3.543
  133   2HG   MET  17          HG1       MET  17  21.310  -0.832  -3.212
  134   1HE   MET  17          HE1       MET  17  19.943  -3.225  -4.546
  135   2HE   MET  17          HE2       MET  17  19.050  -2.462  -5.859
  136   3HE   MET  17          HE3       MET  17  19.150  -1.665  -4.291
  137    H    ALA  18           HN       ALA  18  24.967   1.168  -3.202
  138    HA   ALA  18           HA       ALA  18  27.221   1.489  -4.753
  139   1HB   ALA  18          HB1       ALA  18  27.903   3.317  -3.211
  140   2HB   ALA  18          HB2       ALA  18  26.740   2.721  -2.027
  141   3HB   ALA  18          HB3       ALA  18  26.177   3.363  -3.570
  142    H    VAL  19           HN       VAL  19  27.342   0.717  -1.277
  143    HA   VAL  19           HA       VAL  19  30.029   0.330  -0.859
  144    HB   VAL  19           HB       VAL  19  27.645  -1.234   0.100
  145   1HG1  VAL  19          HG11      VAL  19  29.343  -2.334   1.722
  146   2HG1  VAL  19          HG12      VAL  19  30.553  -1.934   0.502
  147   3HG1  VAL  19          HG13      VAL  19  29.211  -3.004   0.096
  148   1HG2  VAL  19          HG21      VAL  19  28.313  -0.255   2.251
  149   2HG2  VAL  19          HG22      VAL  19  28.194   1.013   1.031
  150   3HG2  VAL  19          HG23      VAL  19  29.775   0.403   1.517
  151    H    LYS  20           HN       LYS  20  27.900  -2.220  -2.250
  152    HA   LYS  20           HA       LYS  20  30.224  -3.841  -2.969
  153   1HB   LYS  20          HB2       LYS  20  27.372  -4.208  -3.911
  154   2HB   LYS  20          HB1       LYS  20  28.638  -5.431  -3.801
  155   1HG   LYS  20          HG2       LYS  20  28.588  -5.423  -1.423
  156   2HG   LYS  20          HG1       LYS  20  27.653  -3.928  -1.372
  157   1HD   LYS  20          HD2       LYS  20  26.670  -6.585  -2.456
  158   2HD   LYS  20          HD1       LYS  20  26.212  -5.875  -0.907
  159   1HE   LYS  20          HE2       LYS  20  24.590  -4.703  -1.931
  160   2HE   LYS  20          HE1       LYS  20  25.808  -3.891  -2.914
  161   1HZ   LYS  20          HZ1       LYS  20  23.974  -5.275  -4.058
  162   2HZ   LYS  20          HZ2       LYS  20  24.928  -6.610  -3.616
  163   3HZ   LYS  20          HZ3       LYS  20  25.571  -5.397  -4.617
  164    HN   LYN  21           HN       LYN  21  30.569  -1.374  -4.153
  165    HA   LYN  21           HA       LYN  21  30.993  -2.015  -6.879
  166    HB1  LYN  21           HB1      LYN  21  28.487  -1.921  -6.959
  167    HB2  LYN  21           HB2      LYN  21  29.262  -0.738  -8.012
  168    HG1  LYN  21           HG1      LYN  21  29.062   0.874  -5.986
  169    HG2  LYN  21           HG2      LYN  21  27.897  -0.292  -5.359
  170    HD1  LYN  21           HD1      LYN  21  27.632   0.679  -8.189
  171    HD2  LYN  21           HD2      LYN  21  27.072   1.705  -6.868
  172    HE1  LYN  21           HE1      LYN  21  25.807  -0.369  -6.022
  173    HE2  LYN  21           HE2      LYN  21  26.136  -1.073  -7.606
  174    HZ1  LYN  21           HZ1      LYN  21  23.970   0.144  -7.380
  175    HZ2  LYN  21           HZ2      LYN  21  24.954   0.644  -8.672
  176    HZ3  LYN  21           HZ3      LYN  21  24.864   1.580  -7.256
  177    H1   LYN  21           H1       LYN  21  32.361  -0.631  -4.706
  178    H2   LYN  21           H2       LYN  21  32.682   0.949  -5.236
  Start of MODEL   13
    1   1H    HIS   1          HT1       HIS   1   2.357   5.514  -0.120
    2   2H    HIS   1          HT2       HIS   1   2.221   3.914   0.434
    3   3H    HIS   1          HT3       HIS   1   0.908   4.661  -0.343
    4    HA   HIS   1           HA       HIS   1   1.879   3.204  -1.916
    5   1HB   HIS   1          HB2       HIS   1   1.225   5.477  -2.719
    6   2HB   HIS   1          HB1       HIS   1   2.880   6.019  -2.442
    7    HD1  HIS   1           HD1      HIS   1   3.754   6.282  -4.793
    8    HD2  HIS   1           HD2      HIS   1   1.860   2.612  -4.222
    9    HE1  HIS   1           HE1      HIS   1   4.160   4.932  -6.896
   10    H    SER   2           HN       SER   2   3.708   2.130  -2.678
   11    HA   SER   2           HA       SER   2   6.394   3.138  -2.225
   12   1HB   SER   2          HB2       SER   2   5.217   1.080  -0.379
   13   2HB   SER   2          HB1       SER   2   6.932   1.019  -0.774
   14    HG   SER   2           HG       SER   2   5.798   2.513   1.025
   15    H    ASP   3           HN       ASP   3   8.034   1.508  -3.002
   16    HA   ASP   3           HA       ASP   3   7.101  -0.892  -4.360
   17   1HB   ASP   3          HB2       ASP   3   6.362   1.084  -5.828
   18   2HB   ASP   3          HB1       ASP   3   8.077   1.319  -6.163
   19    H    GLY   4           HN       GLY   4   9.038  -1.285  -2.739
   20   1HA   GLY   4          HA2       GLY   4  11.279  -2.037  -2.629
   21   2HA   GLY   4          HA1       GLY   4  11.442  -1.645  -4.343
   22    H    ILE   5           HN       ILE   5  12.642   0.125  -4.848
   23    HA   ILE   5           HA       ILE   5  14.255   1.560  -3.160
   24    HB   ILE   5           HB       ILE   5  14.529   1.970  -5.462
   25   1HG1  ILE   5          HG12      ILE   5  14.643   4.027  -3.850
   26   2HG1  ILE   5          HG11      ILE   5  14.672   4.310  -5.589
   27   1HG2  ILE   5          HG21      ILE   5  11.591   2.649  -5.409
   28   2HG2  ILE   5          HG22      ILE   5  12.410   1.395  -6.341
   29   3HG2  ILE   5          HG23      ILE   5  12.624   3.093  -6.767
   30   1HD1  ILE   5          HD11      ILE   5  12.892   5.452  -3.771
   31   2HD1  ILE   5          HD12      ILE   5  11.944   4.187  -4.552
   32   3HD1  ILE   5          HD13      ILE   5  12.716   5.438  -5.526
   33    H    PHE   6           HN       PHE   6  10.798   2.001  -3.520
   34    HA   PHE   6           HA       PHE   6  10.949   4.302  -1.625
   35   1HB   PHE   6          HB2       PHE   6   9.387   3.823  -3.963
   36   2HB   PHE   6          HB1       PHE   6   8.292   3.869  -2.580
   37    HD1  PHE   6           HD1      PHE   6   8.467   5.817  -0.948
   38    HD2  PHE   6           HD2      PHE   6  10.373   5.799  -4.795
   39    HE1  PHE   6           HE1      PHE   6   8.691   8.287  -0.848
   40    HE2  PHE   6           HE2      PHE   6  10.598   8.268  -4.699
   41    HZ   PHE   6           HZ       PHE   6   9.757   9.513  -2.724
   42    H    THR   7           HN       THR   7  11.355   2.612   0.111
   43    HA   THR   7           HA       THR   7   8.985   2.094   1.583
   44    HB   THR   7           HB       THR   7   8.588   0.394  -0.175
   45    HG1  THR   7           HG1      THR   7   8.059   0.070   2.103
   46   1HG2  THR   7          HG21      THR   7  10.283  -0.828  -0.987
   47   2HG2  THR   7          HG22      THR   7  10.561  -1.525   0.609
   48   3HG2  THR   7          HG23      THR   7  11.379  -0.033   0.144
   49    H    ASP   8           HN       ASP   8  10.174  -0.531   2.624
   50    HA   ASP   8           HA       ASP   8  12.202   0.810   4.316
   51   1HB   ASP   8          HB2       ASP   8  10.433  -0.296   5.540
   52   2HB   ASP   8          HB1       ASP   8  10.693  -1.793   4.644
   53    H    SER   9           HN       SER   9  11.819  -2.418   2.787
   54    HA   SER   9           HA       SER   9  14.324  -3.474   3.054
   55   1HB   SER   9          HB2       SER   9  14.026  -4.064   0.460
   56   2HB   SER   9          HB1       SER   9  13.085  -4.847   1.722
   57    HG   SER   9           HG       SER   9  12.233  -3.323  -0.289
   58    H    TYR  10           HN       TYR  10  13.578  -1.422   0.195
   59    HA   TYR  10           HA       TYR  10  16.151  -1.052  -0.747
   60   1HB   TYR  10          HB2       TYR  10  15.075   0.355  -2.128
   61   2HB   TYR  10          HB1       TYR  10  13.643   0.174  -1.134
   62    HD1  TYR  10           HD1      TYR  10  16.570   2.296  -1.865
   63    HD2  TYR  10           HD2      TYR  10  13.019   1.866   0.513
   64    HE1  TYR  10           HE1      TYR  10  16.736   4.674  -1.184
   65    HE2  TYR  10           HE2      TYR  10  13.184   4.244   1.192
   66    HH   TYR  10           HH       TYR  10  14.751   6.476  -0.305
   67    H    SER  11           HN       SER  11  14.563   0.962   1.735
   68    HA   SER  11           HA       SER  11  16.656   2.699   2.341
   69   1HB   SER  11          HB2       SER  11  14.451   2.846   3.400
   70   2HB   SER  11          HB1       SER  11  14.741   1.335   4.261
   71    HG   SER  11           HG       SER  11  15.219   3.136   5.571
   72    H    ARG  12           HN       ARG  12  16.097  -0.540   3.744
   73    HA   ARG  12           HA       ARG  12  18.661  -0.542   5.124
   74   1HB   ARG  12          HB2       ARG  12  18.084  -2.734   5.843
   75   2HB   ARG  12          HB1       ARG  12  16.543  -1.888   5.749
   76   1HG   ARG  12          HG2       ARG  12  15.935  -2.974   3.753
   77   2HG   ARG  12          HG1       ARG  12  17.584  -3.484   3.407
   78   1HD   ARG  12          HD2       ARG  12  15.761  -4.521   5.589
   79   2HD   ARG  12          HD1       ARG  12  16.401  -5.418   4.212
   80    HE   ARG  12           HE       ARG  12  18.688  -4.623   5.482
   81   1HH1  ARG  12          HH21      ARG  12  16.371  -6.998   5.848
   82   2HH1  ARG  12          HH22      ARG  12  16.824  -7.451   7.457
   83   1HH2  ARG  12          HH11      ARG  12  19.019  -4.800   7.872
   84   2HH2  ARG  12          HH12      ARG  12  18.323  -6.207   8.603
   85    H    TYR  13           HN       TYR  13  17.503  -1.349   1.977
   86    HA   TYR  13           HA       TYR  13  19.874  -2.961   1.301
   87   1HB   TYR  13          HB2       TYR  13  18.286  -3.889  -0.020
   88   2HB   TYR  13          HB1       TYR  13  17.194  -2.534   0.225
   89    HD1  TYR  13           HD1      TYR  13  17.833  -0.320  -1.095
   90    HD2  TYR  13           HD2      TYR  13  19.158  -4.269  -2.142
   91    HE1  TYR  13           HE1      TYR  13  18.273   0.442  -3.412
   92    HE2  TYR  13           HE2      TYR  13  19.601  -3.507  -4.459
   93    HH   TYR  13           HH       TYR  13  19.588  -0.177  -5.332
   94    H    ARG  14           HN       ARG  14  19.322   0.261   1.665
   95    HA   ARG  14           HA       ARG  14  20.989   1.043  -0.679
   96   1HB   ARG  14          HB2       ARG  14  18.717   2.206   0.228
   97   2HB   ARG  14          HB1       ARG  14  19.910   3.120   1.152
   98   1HG   ARG  14          HG2       ARG  14  21.156   3.463  -1.051
   99   2HG   ARG  14          HG1       ARG  14  19.712   2.842  -1.852
  100   1HD   ARG  14          HD2       ARG  14  19.021   5.007  -1.822
  101   2HD   ARG  14          HD1       ARG  14  18.633   4.685  -0.131
  102    HE   ARG  14           HE       ARG  14  21.094   6.070  -1.087
  103   1HH1  ARG  14          HH11      ARG  14  18.488   6.384   0.920
  104   2HH1  ARG  14          HH12      ARG  14  19.380   6.786   2.349
  105   1HH2  ARG  14          HH21      ARG  14  22.462   6.007   0.963
  106   2HH2  ARG  14          HH22      ARG  14  21.630   6.572   2.373
  107    H    LYS  15           HN       LYS  15  20.741   2.359   2.639
  108    HA   LYS  15           HA       LYS  15  23.363   3.273   2.866
  109   1HB   LYS  15          HB2       LYS  15  21.565   2.061   4.982
  110   2HB   LYS  15          HB1       LYS  15  23.090   2.867   5.352
  111   1HG   LYS  15          HG2       LYS  15  21.720   4.700   5.520
  112   2HG   LYS  15          HG1       LYS  15  21.980   4.751   3.775
  113   1HD   LYS  15          HD2       LYS  15  19.862   4.005   3.298
  114   2HD   LYS  15          HD1       LYS  15  19.775   3.004   4.747
  115   1HE   LYS  15          HE2       LYS  15  19.760   6.021   4.895
  116   2HE   LYS  15          HE1       LYS  15  18.274   5.091   4.697
  117   1HZ   LYS  15          HZ1       LYS  15  18.653   3.969   6.726
  118   2HZ   LYS  15          HZ2       LYS  15  18.896   5.621   7.042
  119   3HZ   LYS  15          HZ3       LYS  15  20.229   4.582   6.866
  120    H    GLN  16           HN       GLN  16  22.195   0.065   3.960
  121    HA   GLN  16           HA       GLN  16  24.571  -1.083   4.792
  122   1HB   GLN  16          HB2       GLN  16  23.676  -3.241   4.196
  123   2HB   GLN  16          HB1       GLN  16  22.314  -2.232   4.682
  124   1HG   GLN  16          HG2       GLN  16  21.781  -1.762   2.342
  125   2HG   GLN  16          HG1       GLN  16  23.198  -2.670   1.813
  126   1HE2  GLN  16          HE21      GLN  16  21.778  -4.195   0.640
  127   2HE2  GLN  16          HE22      GLN  16  20.889  -5.368   1.487
  128    H    MET  17           HN       MET  17  23.556  -0.500   1.452
  129    HA   MET  17           HA       MET  17  25.402  -1.955  -0.011
  130   1HB   MET  17          HB2       MET  17  24.637   0.945  -0.465
  131   2HB   MET  17          HB1       MET  17  25.373  -0.113  -1.670
  132   1HG   MET  17          HG2       MET  17  23.437  -1.657  -1.468
  133   2HG   MET  17          HG1       MET  17  22.692  -0.545  -0.318
  134   1HE   MET  17          HE1       MET  17  21.408  -1.671  -2.864
  135   2HE   MET  17          HE2       MET  17  22.844  -1.638  -3.884
  136   3HE   MET  17          HE3       MET  17  21.435  -0.678  -4.328
  137    H    ALA  18           HN       ALA  18  26.121   1.473   0.641
  138    HA   ALA  18           HA       ALA  18  28.845   1.425   0.213
  139   1HB   ALA  18          HB1       ALA  18  29.033   3.266   1.881
  140   2HB   ALA  18          HB2       ALA  18  27.398   2.899   2.430
  141   3HB   ALA  18          HB3       ALA  18  27.665   3.488   0.789
  142    H    VAL  19           HN       VAL  19  27.382   0.940   3.428
  143    HA   VAL  19           HA       VAL  19  29.559   0.261   4.956
  144    HB   VAL  19           HB       VAL  19  26.790  -0.909   4.852
  145   1HG1  VAL  19          HG11      VAL  19  27.502  -2.051   7.087
  146   2HG1  VAL  19          HG12      VAL  19  29.136  -1.950   6.431
  147   3HG1  VAL  19          HG13      VAL  19  27.894  -2.858   5.569
  148   1HG2  VAL  19          HG21      VAL  19  28.394   0.657   6.901
  149   2HG2  VAL  19          HG22      VAL  19  26.738   0.102   7.145
  150   3HG2  VAL  19          HG23      VAL  19  27.095   1.284   5.885
  151    H    LYS  20           HN       LYS  20  27.851  -2.121   2.867
  152    HA   LYS  20           HA       LYS  20  30.000  -4.068   3.238
  153   1HB   LYS  20          HB2       LYS  20  27.807  -4.193   1.163
  154   2HB   LYS  20          HB1       LYS  20  28.672  -5.533   1.917
  155   1HG   LYS  20          HG2       LYS  20  27.629  -5.076   4.060
  156   2HG   LYS  20          HG1       LYS  20  26.872  -3.616   3.423
  157   1HD   LYS  20          HD2       LYS  20  26.367  -6.306   2.157
  158   2HD   LYS  20          HD1       LYS  20  25.425  -5.761   3.546
  159   1HE   LYS  20          HE2       LYS  20  24.729  -3.757   2.331
  160   2HE   LYS  20          HE1       LYS  20  25.738  -4.211   0.958
  161   1HZ   LYS  20          HZ1       LYS  20  24.406  -6.320   0.882
  162   2HZ   LYS  20          HZ2       LYS  20  23.564  -4.909   0.450
  163   3HZ   LYS  20          HZ3       LYS  20  23.334  -5.603   1.983
  164    HN   LYN  21           HN       LYN  21  31.186  -1.796   2.261
  165    HA   LYN  21           HA       LYN  21  31.866  -2.615  -0.530
  166    HB1  LYN  21           HB1      LYN  21  32.195  -0.165  -1.034
  167    HB2  LYN  21           HB2      LYN  21  31.435   0.197   0.516
  168    HG1  LYN  21           HG1      LYN  21  29.350  -0.351  -0.241
  169    HG2  LYN  21           HG2      LYN  21  29.950  -1.696  -1.212
  170    HD1  LYN  21           HD1      LYN  21  30.679   1.071  -2.071
  171    HD2  LYN  21           HD2      LYN  21  29.018   0.542  -2.342
  172    HE1  LYN  21           HE1      LYN  21  29.634  -0.906  -3.981
  173    HE2  LYN  21           HE2      LYN  21  31.040  -1.468  -3.077
  174    HZ1  LYN  21           HZ1      LYN  21  31.801  -0.337  -5.010
  175    HZ2  LYN  21           HZ2      LYN  21  32.137   0.658  -3.675
  176    HZ3  LYN  21           HZ3      LYN  21  30.823   1.011  -4.692
  177    H1   LYN  21           H1       LYN  21  33.170  -3.047   2.203
  178    H2   LYN  21           H2       LYN  21  34.734  -2.411   2.032
  Start of MODEL   14
    1   1H    HIS   1          HT1       HIS   1   0.939   5.286   0.275
    2   2H    HIS   1          HT2       HIS   1   2.411   4.990   1.070
    3   3H    HIS   1          HT3       HIS   1   1.758   3.822   0.022
    4    HA   HIS   1           HA       HIS   1   2.132   5.183  -1.878
    5   1HB   HIS   1          HB2       HIS   1   1.629   7.312  -0.531
    6   2HB   HIS   1          HB1       HIS   1   3.319   7.258  -0.028
    7    HD1  HIS   1           HD1      HIS   1   1.329   7.166  -3.288
    8    HD2  HIS   1           HD2      HIS   1   5.007   8.485  -1.835
    9    HE1  HIS   1           HE1      HIS   1   2.472   8.358  -5.208
   10    H    SER   2           HN       SER   2   4.271   5.339  -2.890
   11    HA   SER   2           HA       SER   2   6.609   4.712  -1.218
   12   1HB   SER   2          HB2       SER   2   5.404   2.753  -3.173
   13   2HB   SER   2          HB1       SER   2   7.109   2.693  -2.737
   14    HG   SER   2           HG       SER   2   5.199   1.583  -1.439
   15    H    ASP   3           HN       ASP   3   8.630   4.752  -2.556
   16    HA   ASP   3           HA       ASP   3   8.584   5.509  -5.334
   17   1HB   ASP   3          HB2       ASP   3   7.596   7.549  -4.078
   18   2HB   ASP   3          HB1       ASP   3   9.246   7.818  -3.519
   19    H    GLY   4           HN       GLY   4  10.303   3.732  -4.792
   20   1HA   GLY   4          HA2       GLY   4  12.621   3.260  -4.777
   21   2HA   GLY   4          HA1       GLY   4  12.924   4.999  -4.718
   22    H    ILE   5           HN       ILE   5  13.659   5.806  -2.814
   23    HA   ILE   5           HA       ILE   5  14.512   4.392  -0.628
   24    HB   ILE   5           HB       ILE   5  15.028   6.690  -0.629
   25   1HG1  ILE   5          HG12      ILE   5  12.908   6.228   1.495
   26   2HG1  ILE   5          HG11      ILE   5  14.640   5.940   1.657
   27   1HG2  ILE   5          HG21      ILE   5  13.181   8.420  -0.539
   28   2HG2  ILE   5          HG22      ILE   5  12.042   7.112  -0.856
   29   3HG2  ILE   5          HG23      ILE   5  13.279   7.513  -2.048
   30   1HD1  ILE   5          HD11      ILE   5  14.828   8.479   0.984
   31   2HD1  ILE   5          HD12      ILE   5  14.437   8.040   2.646
   32   3HD1  ILE   5          HD13      ILE   5  13.157   8.547   1.544
   33    H    PHE   6           HN       PHE   6  11.171   5.158  -1.362
   34    HA   PHE   6           HA       PHE   6  10.379   3.862   1.210
   35   1HB   PHE   6          HB2       PHE   6   9.266   6.057  -0.395
   36   2HB   PHE   6          HB1       PHE   6   8.063   4.872   0.121
   37    HD1  PHE   6           HD1      PHE   6   9.532   7.844   1.050
   38    HD2  PHE   6           HD2      PHE   6   8.627   3.971   2.665
   39    HE1  PHE   6           HE1      PHE   6   9.584   8.792   3.343
   40    HE2  PHE   6           HE2      PHE   6   8.677   4.916   4.960
   41    HZ   PHE   6           HZ       PHE   6   9.156   7.327   5.299
   42    H    THR   7           HN       THR   7  10.925   1.748   0.094
   43    HA   THR   7           HA       THR   7   8.567   0.460  -0.828
   44    HB   THR   7           HB       THR   7   8.997   1.790  -2.880
   45    HG1  THR   7           HG1      THR   7   8.052  -0.005  -3.484
   46   1HG2  THR   7          HG21      THR   7  11.684   1.021  -2.342
   47   2HG2  THR   7          HG22      THR   7  11.090   2.067  -3.632
   48   3HG2  THR   7          HG23      THR   7  11.230   0.329  -3.900
   49    H    ASP   8           HN       ASP   8  10.326  -1.279  -2.696
   50    HA   ASP   8           HA       ASP   8  11.520  -2.804  -0.450
   51   1HB   ASP   8          HB2       ASP   8   9.978  -4.091  -1.785
   52   2HB   ASP   8          HB1       ASP   8  10.782  -3.598  -3.275
   53    H    SER   9           HN       SER   9  12.372  -2.114  -3.872
   54    HA   SER   9           HA       SER   9  14.992  -2.874  -3.968
   55   1HB   SER   9          HB2       SER   9  15.330  -0.502  -5.158
   56   2HB   SER   9          HB1       SER   9  14.458  -1.826  -5.919
   57    HG   SER   9           HG       SER   9  13.462   0.432  -5.658
   58    H    TYR  10           HN       TYR  10  14.168   0.465  -2.921
   59    HA   TYR  10           HA       TYR  10  16.638   1.232  -1.945
   60   1HB   TYR  10          HB2       TYR  10  15.438   3.016  -1.292
   61   2HB   TYR  10          HB1       TYR  10  13.979   2.138  -1.707
   62    HD1  TYR  10           HD1      TYR  10  12.642   1.015   0.008
   63    HD2  TYR  10           HD2      TYR  10  16.227   3.148   1.034
   64    HE1  TYR  10           HE1      TYR  10  11.994   0.950   2.399
   65    HE2  TYR  10           HE2      TYR  10  15.579   3.082   3.426
   66    HH   TYR  10           HH       TYR  10  12.839   2.745   4.579
   67    H    SER  11           HN       SER  11  14.143  -0.515  -0.084
   68    HA   SER  11           HA       SER  11  15.510  -0.842   2.326
   69   1HB   SER  11          HB2       SER  11  13.209  -1.613   1.977
   70   2HB   SER  11          HB1       SER  11  13.776  -2.863   0.869
   71    HG   SER  11           HG       SER  11  13.434  -3.595   3.055
   72    H    ARG  12           HN       ARG  12  15.678  -2.979  -0.536
   73    HA   ARG  12           HA       ARG  12  17.862  -4.546   0.579
   74   1HB   ARG  12          HB2       ARG  12  17.856  -5.719  -1.498
   75   2HB   ARG  12          HB1       ARG  12  16.169  -5.300  -1.214
   76   1HG   ARG  12          HG2       ARG  12  16.207  -3.573  -2.809
   77   2HG   ARG  12          HG1       ARG  12  17.967  -3.500  -2.838
   78   1HD   ARG  12          HD2       ARG  12  16.484  -5.989  -3.676
   79   2HD   ARG  12          HD1       ARG  12  16.800  -4.679  -4.815
   80    HE   ARG  12           HE       ARG  12  19.286  -5.050  -4.008
   81   1HH1  ARG  12          HH11      ARG  12  17.488  -6.917  -5.960
   82   2HH1  ARG  12          HH12      ARG  12  18.275  -8.424  -5.628
   83   1HH2  ARG  12          HH21      ARG  12  20.025  -7.212  -2.891
   84   2HH2  ARG  12          HH22      ARG  12  19.711  -8.591  -3.891
   85    H    TYR  13           HN       TYR  13  17.536  -1.597  -1.163
   86    HA   TYR  13           HA       TYR  13  20.358  -1.565  -2.023
   87   1HB   TYR  13          HB2       TYR  13  19.350  -0.398  -3.684
   88   2HB   TYR  13          HB1       TYR  13  17.885  -0.181  -2.737
   89    HD1  TYR  13           HD1      TYR  13  18.053   1.607  -0.785
   90    HD2  TYR  13           HD2      TYR  13  20.652   1.460  -4.201
   91    HE1  TYR  13           HE1      TYR  13  18.640   3.990  -0.441
   92    HE2  TYR  13           HE2      TYR  13  21.242   3.842  -3.856
   93    HH   TYR  13           HH       TYR  13  20.854   5.458  -1.148
   94    H    ARG  14           HN       ARG  14  18.844  -1.091   0.842
   95    HA   ARG  14           HA       ARG  14  20.607   1.195   1.618
   96   1HB   ARG  14          HB2       ARG  14  17.903   0.869   2.055
   97   2HB   ARG  14          HB1       ARG  14  18.598   0.301   3.573
   98   1HG   ARG  14          HG2       ARG  14  19.992   2.414   3.614
   99   2HG   ARG  14          HG1       ARG  14  19.034   2.989   2.249
  100   1HD   ARG  14          HD2       ARG  14  17.501   3.731   3.721
  101   2HD   ARG  14          HD1       ARG  14  17.167   2.050   4.137
  102    HE   ARG  14           HE       ARG  14  19.336   2.560   5.697
  103   1HH1  ARG  14          HH11      ARG  14  17.795   5.342   4.950
  104   2HH1  ARG  14          HH12      ARG  14  17.157   5.672   6.526
  105   1HH2  ARG  14          HH21      ARG  14  17.938   2.537   7.787
  106   2HH2  ARG  14          HH22      ARG  14  17.238   4.083   8.132
  107    H    LYS  15           HN       LYS  15  19.172  -1.476   3.510
  108    HA   LYS  15           HA       LYS  15  21.188  -1.800   5.371
  109   1HB   LYS  15          HB2       LYS  15  19.600  -3.983   3.987
  110   2HB   LYS  15          HB1       LYS  15  20.543  -4.221   5.459
  111   1HG   LYS  15          HG2       LYS  15  18.651  -3.637   6.561
  112   2HG   LYS  15          HG1       LYS  15  19.036  -1.988   6.069
  113   1HD   LYS  15          HD2       LYS  15  17.483  -1.986   4.354
  114   2HD   LYS  15          HD1       LYS  15  17.581  -3.732   4.124
  115   1HE   LYS  15          HE2       LYS  15  16.576  -2.905   6.771
  116   2HE   LYS  15          HE1       LYS  15  15.530  -2.464   5.422
  117   1HZ   LYS  15          HZ1       LYS  15  15.858  -4.844   4.658
  118   2HZ   LYS  15          HZ2       LYS  15  14.874  -4.606   6.022
  119   3HZ   LYS  15          HZ3       LYS  15  16.471  -5.154   6.209
  120    H    GLN  16           HN       GLN  16  21.072  -3.389   2.168
  121    HA   GLN  16           HA       GLN  16  23.410  -4.874   2.232
  122   1HB   GLN  16          HB2       GLN  16  23.566  -4.633  -0.154
  123   2HB   GLN  16          HB1       GLN  16  21.849  -4.594   0.241
  124   1HG   GLN  16          HG2       GLN  16  22.040  -2.763  -1.192
  125   2HG   GLN  16          HG1       GLN  16  22.234  -1.994   0.383
  126   1HE2  GLN  16          HE21      GLN  16  24.561  -3.916  -1.589
  127   2HE2  GLN  16          HE22      GLN  16  25.747  -2.703  -1.640
  128    H    MET  17           HN       MET  17  23.134  -1.360   1.876
  129    HA   MET  17           HA       MET  17  25.669  -0.566   1.161
  130   1HB   MET  17          HB2       MET  17  23.937   0.526   3.390
  131   2HB   MET  17          HB1       MET  17  25.400   1.333   2.823
  132   1HG   MET  17          HG2       MET  17  23.383   0.499   0.781
  133   2HG   MET  17          HG1       MET  17  23.015   1.906   1.779
  134   1HE   MET  17          HE1       MET  17  24.165   3.408  -1.612
  135   2HE   MET  17          HE2       MET  17  22.824   3.031  -0.534
  136   3HE   MET  17          HE3       MET  17  23.542   1.755  -1.515
  137    H    ALA  18           HN       ALA  18  24.848  -1.043   4.624
  138    HA   ALA  18           HA       ALA  18  27.297  -0.886   5.801
  139   1HB   ALA  18          HB1       ALA  18  25.607  -1.458   7.290
  140   2HB   ALA  18          HB2       ALA  18  26.500  -2.976   7.195
  141   3HB   ALA  18          HB3       ALA  18  25.015  -2.767   6.267
  142    H    VAL  19           HN       VAL  19  26.111  -3.921   4.340
  143    HA   VAL  19           HA       VAL  19  28.258  -5.601   4.672
  144    HB   VAL  19           HB       VAL  19  26.479  -5.153   2.289
  145   1HG1  VAL  19          HG11      VAL  19  27.513  -7.228   1.283
  146   2HG1  VAL  19          HG12      VAL  19  28.834  -7.054   2.438
  147   3HG1  VAL  19          HG13      VAL  19  28.549  -5.802   1.229
  148   1HG2  VAL  19          HG21      VAL  19  26.250  -7.754   3.009
  149   2HG2  VAL  19          HG22      VAL  19  25.306  -6.467   3.759
  150   3HG2  VAL  19          HG23      VAL  19  26.766  -7.063   4.548
  151    H    LYS  20           HN       LYS  20  28.091  -3.201   1.997
  152    HA   LYS  20           HA       LYS  20  30.829  -3.654   1.204
  153   1HB   LYS  20          HB2       LYS  20  29.170  -1.172   0.695
  154   2HB   LYS  20          HB1       LYS  20  30.527  -1.768  -0.262
  155   1HG   LYS  20          HG2       LYS  20  29.266  -3.721  -0.947
  156   2HG   LYS  20          HG1       LYS  20  27.944  -3.301   0.142
  157   1HD   LYS  20          HD2       LYS  20  28.876  -1.539  -2.141
  158   2HD   LYS  20          HD1       LYS  20  27.517  -2.658  -2.251
  159   1HE   LYS  20          HE2       LYS  20  26.482  -1.486  -0.279
  160   2HE   LYS  20          HE1       LYS  20  27.775  -0.290  -0.377
  161   1HZ   LYS  20          HZ1       LYS  20  26.864   0.662  -2.164
  162   2HZ   LYS  20          HZ2       LYS  20  25.439  -0.143  -1.706
  163   3HZ   LYS  20          HZ3       LYS  20  26.458  -0.818  -2.886
  164    HN   LYN  21           HN       LYN  21  31.853  -1.024   1.029
  165    HA   LYN  21           HA       LYN  21  31.814   0.327   3.576
  166    HB1  LYN  21           HB1      LYN  21  34.444  -1.031   3.116
  167    HB2  LYN  21           HB2      LYN  21  33.147  -1.945   3.886
  168    HG1  LYN  21           HG1      LYN  21  33.909   0.818   4.838
  169    HG2  LYN  21           HG2      LYN  21  34.744  -0.619   5.427
  170    HD1  LYN  21           HD1      LYN  21  32.999  -1.207   6.745
  171    HD2  LYN  21           HD2      LYN  21  31.830  -0.913   5.458
  172    HE1  LYN  21           HE1      LYN  21  31.733   1.424   5.958
  173    HE2  LYN  21           HE2      LYN  21  33.154   1.330   6.998
  174    HZ1  LYN  21           HZ1      LYN  21  31.601  -0.436   8.195
  175    HZ2  LYN  21           HZ2      LYN  21  30.396   0.569   7.542
  176    HZ3  LYN  21           HZ3      LYN  21  31.572   1.215   8.584
  177    H1   LYN  21           H1       LYN  21  31.559   1.437   1.081
  178    H2   LYN  21           H2       LYN  21  32.966   2.276   0.636
  Start of MODEL   15
    1   1H    HIS   1          HT1       HIS   1   0.168   1.833   0.391
    2   2H    HIS   1          HT2       HIS   1   1.773   2.166   0.837
    3   3H    HIS   1          HT3       HIS   1   0.991   0.782   1.437
    4    HA   HIS   1           HA       HIS   1   0.894  -0.182  -0.756
    5   1HB   HIS   1          HB2       HIS   1   0.729   2.065  -1.904
    6   2HB   HIS   1          HB1       HIS   1   2.462   2.259  -1.640
    7    HD1  HIS   1           HD1      HIS   1   0.154  -0.409  -3.120
    8    HD2  HIS   1           HD2      HIS   1   3.924   1.256  -3.746
    9    HE1  HIS   1           HE1      HIS   1   1.098  -1.531  -5.185
   10    H    SER   2           HN       SER   2   3.822   1.838  -0.439
   11    HA   SER   2           HA       SER   2   6.039   1.227  -0.018
   12   1HB   SER   2          HB2       SER   2   4.998  -1.188   1.448
   13   2HB   SER   2          HB1       SER   2   6.415  -0.206   1.809
   14    HG   SER   2           HG       SER   2   3.864   0.082   2.637
   15    H    ASP   3           HN       ASP   3   7.679  -0.319  -0.767
   16    HA   ASP   3           HA       ASP   3   7.088  -2.884  -1.863
   17   1HB   ASP   3          HB2       ASP   3   5.778  -1.255  -3.406
   18   2HB   ASP   3          HB1       ASP   3   7.364  -0.838  -4.053
   19    H    GLY   4           HN       GLY   4   9.265  -2.826  -0.603
   20   1HA   GLY   4          HA2       GLY   4  11.613  -3.031  -0.755
   21   2HA   GLY   4          HA1       GLY   4  11.461  -2.786  -2.498
   22    H    ILE   5           HN       ILE   5  12.189  -0.875  -3.288
   23    HA   ILE   5           HA       ILE   5  13.622   1.046  -1.963
   24    HB   ILE   5           HB       ILE   5  13.525   1.280  -4.301
   25   1HG1  ILE   5          HG12      ILE   5  11.828   3.497  -3.106
   26   2HG1  ILE   5          HG11      ILE   5  13.585   3.487  -3.263
   27   1HG2  ILE   5          HG21      ILE   5  10.523   1.356  -3.938
   28   2HG2  ILE   5          HG22      ILE   5  11.475   0.104  -4.736
   29   3HG2  ILE   5          HG23      ILE   5  11.327   1.701  -5.470
   30   1HD1  ILE   5          HD11      ILE   5  13.454   3.558  -5.660
   31   2HD1  ILE   5          HD12      ILE   5  12.356   4.799  -5.056
   32   3HD1  ILE   5          HD13      ILE   5  11.715   3.261  -5.633
   33    H    PHE   6           HN       PHE   6  10.134   0.698  -1.858
   34    HA   PHE   6           HA       PHE   6   9.995   3.163  -0.180
   35   1HB   PHE   6          HB2       PHE   6   8.170   1.884  -2.098
   36   2HB   PHE   6          HB1       PHE   6   7.394   2.378  -0.591
   37    HD1  PHE   6           HD1      PHE   6   7.892   4.763   0.274
   38    HD2  PHE   6           HD2      PHE   6   8.653   3.473  -3.749
   39    HE1  PHE   6           HE1      PHE   6   7.925   7.129  -0.478
   40    HE2  PHE   6           HE2      PHE   6   8.686   5.837  -4.505
   41    HZ   PHE   6           HZ       PHE   6   8.323   7.665  -2.868
   42    H    THR   7           HN       THR   7  10.964   1.790   1.607
   43    HA   THR   7           HA       THR   7   8.965   0.932   3.426
   44    HB   THR   7           HB       THR   7   8.760  -0.975   1.841
   45    HG1  THR   7           HG1      THR   7   8.479  -1.200   4.145
   46   1HG2  THR   7          HG21      THR   7  11.576  -0.785   1.825
   47   2HG2  THR   7          HG22      THR   7  10.577  -1.956   0.965
   48   3HG2  THR   7          HG23      THR   7  11.188  -2.332   2.576
   49    H    ASP   8           HN       ASP   8  10.826  -1.275   4.464
   50    HA   ASP   8           HA       ASP   8  12.698   0.620   5.760
   51   1HB   ASP   8          HB2       ASP   8  11.427  -0.673   7.328
   52   2HB   ASP   8          HB1       ASP   8  11.785  -2.173   6.471
   53    H    SER   9           HN       SER   9  12.859  -2.758   4.548
   54    HA   SER   9           HA       SER   9  15.542  -3.242   4.521
   55   1HB   SER   9          HB2       SER   9  15.034  -4.088   2.013
   56   2HB   SER   9          HB1       SER   9  14.522  -4.963   3.449
   57    HG   SER   9           HG       SER   9  12.524  -4.479   3.000
   58    H    TYR  10           HN       TYR  10  14.014  -1.661   1.680
   59    HA   TYR  10           HA       TYR  10  16.312  -0.863   0.353
   60   1HB   TYR  10          HB2       TYR  10  14.785   0.112  -0.972
   61   2HB   TYR  10          HB1       TYR  10  13.562  -0.262   0.225
   62    HD1  TYR  10           HD1      TYR  10  15.800   2.350  -1.101
   63    HD2  TYR  10           HD2      TYR  10  12.784   1.428   1.816
   64    HE1  TYR  10           HE1      TYR  10  15.496   4.768  -0.646
   65    HE2  TYR  10           HE2      TYR  10  12.480   3.845   2.269
   66    HH   TYR  10           HH       TYR  10  14.634   6.251   0.915
   67    H    SER  11           HN       SER  11  14.618   1.036   2.868
   68    HA   SER  11           HA       SER  11  16.359   3.223   2.975
   69   1HB   SER  11          HB2       SER  11  14.292   3.072   4.297
   70   2HB   SER  11          HB1       SER  11  14.998   1.794   5.285
   71    HG   SER  11           HG       SER  11  15.097   4.132   6.011
   72    H    ARG  12           HN       ARG  12  16.723   0.031   4.486
   73    HA   ARG  12           HA       ARG  12  19.334   0.768   5.619
   74   1HB   ARG  12          HB2       ARG  12  19.319  -1.362   6.662
   75   2HB   ARG  12          HB1       ARG  12  17.631  -0.861   6.674
   76   1HG   ARG  12          HG2       ARG  12  17.051  -2.341   4.957
   77   2HG   ARG  12          HG1       ARG  12  18.712  -2.524   4.404
   78   1HD   ARG  12          HD2       ARG  12  17.801  -4.498   5.701
   79   2HD   ARG  12          HD1       ARG  12  19.297  -3.819   6.341
   80    HE   ARG  12           HE       ARG  12  16.630  -3.622   7.600
   81   1HH1  ARG  12          HH11      ARG  12  19.625  -4.285   8.520
   82   2HH1  ARG  12          HH12      ARG  12  19.823  -3.010   9.676
   83   1HH2  ARG  12          HH21      ARG  12  17.008  -1.272   8.637
   84   2HH2  ARG  12          HH22      ARG  12  18.342  -1.305   9.742
   85    H    TYR  13           HN       TYR  13  18.077  -0.760   2.755
   86    HA   TYR  13           HA       TYR  13  20.651  -1.959   2.016
   87   1HB   TYR  13          HB2       TYR  13  19.257  -3.261   0.809
   88   2HB   TYR  13          HB1       TYR  13  17.899  -2.225   1.221
   89    HD1  TYR  13           HD1      TYR  13  17.832   0.083  -0.165
   90    HD2  TYR  13           HD2      TYR  13  19.799  -3.516  -1.431
   91    HE1  TYR  13           HE1      TYR  13  17.726   0.853  -2.514
   92    HE2  TYR  13           HE2      TYR  13  19.696  -2.746  -3.782
   93    HH   TYR  13           HH       TYR  13  19.164   0.338  -4.684
   94    H    ARG  14           HN       ARG  14  18.770   0.907   1.274
   95    HA   ARG  14           HA       ARG  14  20.115   1.885  -0.992
   96   1HB   ARG  14          HB2       ARG  14  18.126   2.968   0.175
   97   2HB   ARG  14          HB1       ARG  14  19.272   3.626   1.347
   98   1HG   ARG  14          HG2       ARG  14  20.543   4.452  -0.786
   99   2HG   ARG  14          HG1       ARG  14  18.979   4.255  -1.572
  100   1HD   ARG  14          HD2       ARG  14  18.015   5.972  -0.390
  101   2HD   ARG  14          HD1       ARG  14  18.992   5.670   1.047
  102    HE   ARG  14           HE       ARG  14  19.875   7.229  -1.332
  103   1HH1  ARG  14          HH11      ARG  14  19.584   7.379   1.947
  104   2HH1  ARG  14          HH12      ARG  14  21.220   7.843   2.279
  105   1HH2  ARG  14          HH21      ARG  14  22.323   7.247  -0.954
  106   2HH2  ARG  14          HH22      ARG  14  22.771   7.768   0.636
  107    H    LYS  15           HN       LYS  15  20.836   3.139   2.278
  108    HA   LYS  15           HA       LYS  15  23.319   4.261   1.734
  109   1HB   LYS  15          HB2       LYS  15  22.323   2.836   4.209
  110   2HB   LYS  15          HB1       LYS  15  23.895   3.635   4.157
  111   1HG   LYS  15          HG2       LYS  15  22.654   5.427   4.876
  112   2HG   LYS  15          HG1       LYS  15  22.378   5.617   3.144
  113   1HD   LYS  15          HD2       LYS  15  20.204   4.914   3.275
  114   2HD   LYS  15          HD1       LYS  15  20.548   3.756   4.560
  115   1HE   LYS  15          HE2       LYS  15  20.709   6.708   5.114
  116   2HE   LYS  15          HE1       LYS  15  19.146   5.891   5.127
  117   1HZ   LYS  15          HZ1       LYS  15  19.926   5.764   7.312
  118   2HZ   LYS  15          HZ2       LYS  15  21.506   5.362   6.831
  119   3HZ   LYS  15          HZ3       LYS  15  20.249   4.231   6.663
  120    H    GLN  16           HN       GLN  16  22.744   0.884   2.781
  121    HA   GLN  16           HA       GLN  16  25.326  -0.112   2.820
  122   1HB   GLN  16          HB2       GLN  16  22.807  -1.374   1.710
  123   2HB   GLN  16          HB1       GLN  16  24.331  -2.254   1.812
  124   1HG   GLN  16          HG2       GLN  16  24.377  -2.161   4.164
  125   2HG   GLN  16          HG1       GLN  16  23.219  -0.831   4.225
  126   1HE2  GLN  16          HE21      GLN  16  22.710  -3.606   2.090
  127   2HE2  GLN  16          HE22      GLN  16  21.398  -4.254   2.951
  128    H    MET  17           HN       MET  17  23.400   0.690  -0.036
  129    HA   MET  17           HA       MET  17  24.822  -0.427  -2.116
  130   1HB   MET  17          HB2       MET  17  23.810   2.423  -1.913
  131   2HB   MET  17          HB1       MET  17  24.322   1.659  -3.419
  132   1HG   MET  17          HG2       MET  17  22.315   0.228  -1.725
  133   2HG   MET  17          HG1       MET  17  21.771   1.617  -2.665
  134   1HE   MET  17          HE1       MET  17  22.398  -2.556  -3.769
  135   2HE   MET  17          HE2       MET  17  22.670  -1.713  -2.246
  136   3HE   MET  17          HE3       MET  17  23.998  -1.906  -3.386
  137    H    ALA  18           HN       ALA  18  25.604   2.920  -1.148
  138    HA   ALA  18           HA       ALA  18  28.079   3.147  -2.344
  139   1HB   ALA  18          HB1       ALA  18  27.499   4.112   0.467
  140   2HB   ALA  18          HB2       ALA  18  26.933   4.928  -0.991
  141   3HB   ALA  18          HB3       ALA  18  28.662   4.798  -0.668
  142    H    VAL  19           HN       VAL  19  27.652   2.048   1.020
  143    HA   VAL  19           HA       VAL  19  30.207   1.305   1.702
  144    HB   VAL  19           HB       VAL  19  27.562  -0.024   2.229
  145   1HG1  VAL  19          HG11      VAL  19  30.254  -1.228   2.598
  146   2HG1  VAL  19          HG12      VAL  19  28.685  -2.012   2.423
  147   3HG1  VAL  19          HG13      VAL  19  29.162  -1.332   3.978
  148   1HG2  VAL  19          HG21      VAL  19  29.618   0.989   4.195
  149   2HG2  VAL  19          HG22      VAL  19  27.876   0.826   4.415
  150   3HG2  VAL  19          HG23      VAL  19  28.519   2.099   3.377
  151    H    LYS  20           HN       LYS  20  28.000  -0.876  -0.127
  152    HA   LYS  20           HA       LYS  20  30.262  -2.622  -0.800
  153   1HB   LYS  20          HB2       LYS  20  27.482  -2.764  -1.973
  154   2HB   LYS  20          HB1       LYS  20  28.647  -4.072  -1.767
  155   1HG   LYS  20          HG2       LYS  20  28.327  -4.146   0.574
  156   2HG   LYS  20          HG1       LYS  20  27.562  -2.557   0.606
  157   1HD   LYS  20          HD2       LYS  20  26.401  -5.053  -0.669
  158   2HD   LYS  20          HD1       LYS  20  25.876  -4.336   0.854
  159   1HE   LYS  20          HE2       LYS  20  25.619  -2.161  -0.648
  160   2HE   LYS  20          HE1       LYS  20  25.475  -3.349  -1.943
  161   1HZ   LYS  20          HZ1       LYS  20  23.506  -4.076  -1.179
  162   2HZ   LYS  20          HZ2       LYS  20  23.431  -2.548  -0.440
  163   3HZ   LYS  20          HZ3       LYS  20  23.936  -3.903   0.452
  164    HN   LYN  21           HN       LYN  21  29.251  -3.228  -3.496
  165    HA   LYN  21           HA       LYN  21  29.673  -0.704  -4.982
  166    HB1  LYN  21           HB1      LYN  21  31.478  -1.788  -6.359
  167    HB2  LYN  21           HB2      LYN  21  31.504  -3.112  -5.194
  168    HG1  LYN  21           HG1      LYN  21  33.240  -1.584  -4.541
  169    HG2  LYN  21           HG2      LYN  21  31.918  -1.362  -3.395
  170    HD1  LYN  21           HD1      LYN  21  31.114   0.498  -5.020
  171    HD2  LYN  21           HD2      LYN  21  32.744   0.415  -5.689
  172    HE1  LYN  21           HE1      LYN  21  32.093   0.871  -2.760
  173    HE2  LYN  21           HE2      LYN  21  32.535   2.142  -3.901
  174    HZ1  LYN  21           HZ1      LYN  21  34.193  -0.111  -2.937
  175    HZ2  LYN  21           HZ2      LYN  21  34.512   1.554  -2.830
  176    HZ3  LYN  21           HZ3      LYN  21  34.596   0.765  -4.332
  177    H1   LYN  21           H1       LYN  21  27.261  -1.725  -5.171
  178    H2   LYN  21           H2       LYN  21  27.032  -2.707  -6.536
  Start of MODEL   16
    1   1H    HIS   1          HT1       HIS   1   2.050   1.945   2.008
    2   2H    HIS   1          HT2       HIS   1   2.028   0.683   0.870
    3   3H    HIS   1          HT3       HIS   1   0.677   1.698   1.044
    4    HA   HIS   1           HA       HIS   1   1.824   2.359  -0.921
    5   1HB   HIS   1          HB2       HIS   1   0.917   4.133   0.620
    6   2HB   HIS   1          HB1       HIS   1   2.532   4.281   1.314
    7    HD1  HIS   1           HD1      HIS   1   2.905   6.673   0.393
    8    HD2  HIS   1           HD2      HIS   1   2.127   3.850  -2.574
    9    HE1  HIS   1           HE1      HIS   1   3.455   7.785  -1.816
   10    H    SER   2           HN       SER   2   3.810   2.838  -1.987
   11    HA   SER   2           HA       SER   2   6.329   2.982  -0.602
   12   1HB   SER   2          HB2       SER   2   6.778   0.603  -2.035
   13   2HB   SER   2          HB1       SER   2   6.749   0.794  -0.285
   14    HG   SER   2           HG       SER   2   4.858  -0.128  -0.238
   15    H    ASP   3           HN       ASP   3   8.143   3.156  -2.165
   16    HA   ASP   3           HA       ASP   3   7.522   3.103  -5.031
   17   1HB   ASP   3          HB2       ASP   3   6.621   5.318  -4.037
   18   2HB   ASP   3          HB1       ASP   3   8.320   5.763  -3.864
   19    H    GLY   4           HN       GLY   4   9.445   1.546  -4.323
   20   1HA   GLY   4          HA2       GLY   4  11.754   1.148  -4.666
   21   2HA   GLY   4          HA1       GLY   4  11.919   2.832  -5.172
   22    H    ILE   5           HN       ILE   5  12.966   4.172  -3.778
   23    HA   ILE   5           HA       ILE   5  14.282   3.443  -1.474
   24    HB   ILE   5           HB       ILE   5  14.720   5.606  -2.285
   25   1HG1  ILE   5          HG12      ILE   5  14.477   5.303   0.305
   26   2HG1  ILE   5          HG11      ILE   5  14.640   6.931  -0.349
   27   1HG2  ILE   5          HG21      ILE   5  11.738   5.950  -2.095
   28   2HG2  ILE   5          HG22      ILE   5  12.780   6.122  -3.507
   29   3HG2  ILE   5          HG23      ILE   5  12.813   7.340  -2.232
   30   1HD1  ILE   5          HD11      ILE   5  12.595   6.039   1.318
   31   2HD1  ILE   5          HD12      ILE   5  11.853   6.051  -0.281
   32   3HD1  ILE   5          HD13      ILE   5  12.579   7.522   0.364
   33    H    PHE   6           HN       PHE   6  10.848   4.027  -1.777
   34    HA   PHE   6           HA       PHE   6  10.560   3.648   1.168
   35   1HB   PHE   6          HB2       PHE   6   9.276   5.384  -0.688
   36   2HB   PHE   6          HB1       PHE   6   8.068   4.234  -0.110
   37    HD1  PHE   6           HD1      PHE   6   7.477   4.097   2.253
   38    HD2  PHE   6           HD2      PHE   6  10.414   6.895   0.847
   39    HE1  PHE   6           HE1      PHE   6   7.356   5.310   4.415
   40    HE2  PHE   6           HE2      PHE   6  10.294   8.111   3.006
   41    HZ   PHE   6           HZ       PHE   6   8.765   7.317   4.792
   42    H    THR   7           HN       THR   7  11.015   1.282   0.756
   43    HA   THR   7           HA       THR   7   8.601  -0.231   0.684
   44    HB   THR   7           HB       THR   7   8.698   0.334  -1.738
   45    HG1  THR   7           HG1      THR   7   7.919  -1.720  -0.932
   46   1HG2  THR   7          HG21      THR   7  10.631   0.261  -2.881
   47   2HG2  THR   7          HG22      THR   7  10.881  -1.425  -2.427
   48   3HG2  THR   7          HG23      THR   7  11.451  -0.133  -1.370
   49    H    ASP   8           HN       ASP   8  10.054  -2.539  -0.671
   50    HA   ASP   8           HA       ASP   8  11.695  -3.211   1.700
   51   1HB   ASP   8          HB2       ASP   8   9.886  -4.776   0.905
   52   2HB   ASP   8          HB1       ASP   8  10.831  -5.030  -0.563
   53    H    SER   9           HN       SER   9  11.936  -3.626  -1.857
   54    HA   SER   9           HA       SER   9  14.534  -4.404  -2.188
   55   1HB   SER   9          HB2       SER   9  14.487  -2.358  -3.999
   56   2HB   SER   9          HB1       SER   9  13.771  -3.941  -4.266
   57    HG   SER   9           HG       SER   9  11.821  -3.132  -3.919
   58    H    TYR  10           HN       TYR  10  13.725  -0.904  -1.973
   59    HA   TYR  10           HA       TYR  10  16.308   0.074  -1.711
   60   1HB   TYR  10          HB2       TYR  10  15.221   2.000  -1.461
   61   2HB   TYR  10          HB1       TYR  10  13.719   1.096  -1.404
   62    HD1  TYR  10           HD1      TYR  10  16.231   2.920   0.543
   63    HD2  TYR  10           HD2      TYR  10  12.701   0.483   0.775
   64    HE1  TYR  10           HE1      TYR  10  15.901   3.617   2.898
   65    HE2  TYR  10           HE2      TYR  10  12.371   1.181   3.129
   66    HH   TYR  10           HH       TYR  10  14.575   3.518   4.676
   67    H    SER  11           HN       SER  11  14.204  -0.993   0.967
   68    HA   SER  11           HA       SER  11  15.965  -0.529   3.083
   69   1HB   SER  11          HB2       SER  11  13.706  -1.385   3.429
   70   2HB   SER  11          HB1       SER  11  14.121  -2.898   2.627
   71    HG   SER  11           HG       SER  11  14.228  -2.649   5.090
   72    H    ARG  12           HN       ARG  12  15.938  -3.248   0.793
   73    HA   ARG  12           HA       ARG  12  18.300  -4.464   2.046
   74   1HB   ARG  12          HB2       ARG  12  18.040  -6.225   0.476
   75   2HB   ARG  12          HB1       ARG  12  16.397  -5.733   0.870
   76   1HG   ARG  12          HG2       ARG  12  16.047  -4.759  -1.202
   77   2HG   ARG  12          HG1       ARG  12  17.756  -4.435  -1.471
   78   1HD   ARG  12          HD2       ARG  12  16.746  -6.320  -2.864
   79   2HD   ARG  12          HD1       ARG  12  18.211  -6.722  -1.969
   80    HE   ARG  12           HE       ARG  12  15.480  -7.438  -0.976
   81   1HH1  ARG  12          HH21      ARG  12  17.255  -9.330  -2.658
   82   2HH1  ARG  12          HH22      ARG  12  17.930 -10.318  -1.405
   83   1HH2  ARG  12          HH11      ARG  12  17.024  -8.159   1.152
   84   2HH2  ARG  12          HH12      ARG  12  17.799  -9.655   0.751
   85    H    TYR  13           HN       TYR  13  17.613  -2.270  -0.566
   86    HA   TYR  13           HA       TYR  13  20.304  -2.553  -1.732
   87   1HB   TYR  13          HB2       TYR  13  19.078  -1.996  -3.552
   88   2HB   TYR  13          HB1       TYR  13  17.720  -1.493  -2.560
   89    HD1  TYR  13           HD1      TYR  13  16.990   0.621  -3.233
   90    HD2  TYR  13           HD2      TYR  13  21.206  -0.153  -2.992
   91    HE1  TYR  13           HE1      TYR  13  17.454   2.979  -3.806
   92    HE2  TYR  13           HE2      TYR  13  21.672   2.209  -3.566
   93    HH   TYR  13           HH       TYR  13  20.502   4.401  -3.423
   94    H    ARG  14           HN       ARG  14  18.576  -0.466   0.448
   95    HA   ARG  14           HA       ARG  14  20.439   1.745   0.403
   96   1HB   ARG  14          HB2       ARG  14  18.020   1.724   1.333
   97   2HB   ARG  14          HB1       ARG  14  18.723   0.995   2.780
   98   1HG   ARG  14          HG2       ARG  14  20.440   3.024   2.472
   99   2HG   ARG  14          HG1       ARG  14  19.029   3.752   1.705
  100   1HD   ARG  14          HD2       ARG  14  17.704   3.045   3.765
  101   2HD   ARG  14          HD1       ARG  14  19.253   2.675   4.523
  102    HE   ARG  14           HE       ARG  14  19.734   5.016   4.606
  103   1HH1  ARG  14          HH21      ARG  14  17.390   4.516   2.200
  104   2HH1  ARG  14          HH22      ARG  14  16.585   6.029   2.447
  105   1HH2  ARG  14          HH11      ARG  14  18.466   6.876   5.234
  106   2HH2  ARG  14          HH12      ARG  14  17.194   7.366   4.166
  107    H    LYS  15           HN       LYS  15  19.871  -0.683   2.981
  108    HA   LYS  15           HA       LYS  15  22.046  -0.202   4.601
  109   1HB   LYS  15          HB2       LYS  15  20.728  -2.779   3.783
  110   2HB   LYS  15          HB1       LYS  15  22.147  -2.814   4.831
  111   1HG   LYS  15          HG2       LYS  15  20.617  -2.554   6.500
  112   2HG   LYS  15          HG1       LYS  15  20.686  -0.854   6.034
  113   1HD   LYS  15          HD2       LYS  15  18.757  -1.099   4.599
  114   2HD   LYS  15          HD1       LYS  15  18.751  -2.848   4.828
  115   1HE   LYS  15          HE2       LYS  15  18.713  -1.534   7.396
  116   2HE   LYS  15          HE1       LYS  15  17.402  -0.915   6.390
  117   1HZ   LYS  15          HZ1       LYS  15  16.349  -2.875   6.412
  118   2HZ   LYS  15          HZ2       LYS  15  17.289  -3.196   7.790
  119   3HZ   LYS  15          HZ3       LYS  15  17.778  -3.778   6.270
  120    H    GLN  16           HN       GLN  16  22.125  -2.189   1.630
  121    HA   GLN  16           HA       GLN  16  24.746  -3.072   1.629
  122   1HB   GLN  16          HB2       GLN  16  23.141  -1.912  -0.663
  123   2HB   GLN  16          HB1       GLN  16  24.717  -2.669  -0.890
  124   1HG   GLN  16          HG2       GLN  16  22.206  -3.957   0.210
  125   2HG   GLN  16          HG1       GLN  16  23.060  -4.372  -1.276
  126   1HE2  GLN  16          HE21      GLN  16  22.595  -5.567   1.738
  127   2HE2  GLN  16          HE22      GLN  16  24.093  -6.320   2.003
  128    H    MET  17           HN       MET  17  23.620   0.217   0.935
  129    HA   MET  17           HA       MET  17  25.894   1.454  -0.034
  130   1HB   MET  17          HB2       MET  17  23.980   2.441   2.095
  131   2HB   MET  17          HB1       MET  17  25.197   3.468   1.335
  132   1HG   MET  17          HG2       MET  17  23.117   1.909  -0.221
  133   2HG   MET  17          HG1       MET  17  22.915   3.594   0.259
  134   1HE   MET  17          HE1       MET  17  24.599   1.501  -2.944
  135   2HE   MET  17          HE2       MET  17  23.517   2.783  -3.481
  136   3HE   MET  17          HE3       MET  17  23.023   1.715  -2.170
  137    H    ALA  18           HN       ALA  18  25.243   1.608   3.473
  138    HA   ALA  18           HA       ALA  18  27.744   2.312   4.370
  139   1HB   ALA  18          HB1       ALA  18  25.729   0.407   5.544
  140   2HB   ALA  18          HB2       ALA  18  26.086   2.064   6.030
  141   3HB   ALA  18          HB3       ALA  18  27.233   0.774   6.389
  142    H    VAL  19           HN       VAL  19  26.721  -1.087   4.024
  143    HA   VAL  19           HA       VAL  19  29.045  -2.441   4.577
  144    HB   VAL  19           HB       VAL  19  26.976  -2.875   2.438
  145   1HG1  VAL  19          HG11      VAL  19  29.547  -4.435   2.795
  146   2HG1  VAL  19          HG12      VAL  19  28.918  -3.715   1.313
  147   3HG1  VAL  19          HG13      VAL  19  28.117  -5.118   2.020
  148   1HG2  VAL  19          HG21      VAL  19  26.283  -4.639   3.834
  149   2HG2  VAL  19          HG22      VAL  19  26.805  -3.413   4.990
  150   3HG2  VAL  19          HG23      VAL  19  27.862  -4.772   4.608
  151    H    LYS  20           HN       LYS  20  28.361  -1.047   1.328
  152    HA   LYS  20           HA       LYS  20  31.108  -1.496   0.468
  153   1HB   LYS  20          HB2       LYS  20  29.052   0.311  -0.826
  154   2HB   LYS  20          HB1       LYS  20  30.438  -0.466  -1.593
  155   1HG   LYS  20          HG2       LYS  20  29.460  -2.656  -1.303
  156   2HG   LYS  20          HG1       LYS  20  28.155  -1.994  -0.318
  157   1HD   LYS  20          HD2       LYS  20  28.547  -0.892  -3.072
  158   2HD   LYS  20          HD1       LYS  20  27.792  -2.478  -2.905
  159   1HE   LYS  20          HE2       LYS  20  26.413  -1.144  -1.011
  160   2HE   LYS  20          HE1       LYS  20  26.774   0.198  -2.097
  161   1HZ   LYS  20          HZ1       LYS  20  24.674  -1.014  -2.597
  162   2HZ   LYS  20          HZ2       LYS  20  25.608  -2.374  -3.002
  163   3HZ   LYS  20          HZ3       LYS  20  25.761  -0.938  -3.897
  164    HN   LYN  21           HN       LYN  21  31.547   1.010  -0.875
  165    HA   LYN  21           HA       LYN  21  31.421   3.229   0.947
  166    HB1  LYN  21           HB1      LYN  21  34.259   2.446   0.746
  167    HB2  LYN  21           HB2      LYN  21  33.280   1.389   1.764
  168    HG1  LYN  21           HG1      LYN  21  32.709   4.232   2.192
  169    HG2  LYN  21           HG2      LYN  21  34.385   3.810   2.547
  170    HD1  LYN  21           HD1      LYN  21  33.799   2.615   4.384
  171    HD2  LYN  21           HD2      LYN  21  32.449   1.843   3.554
  172    HE1  LYN  21           HE1      LYN  21  31.089   3.163   4.785
  173    HE2  LYN  21           HE2      LYN  21  31.668   4.515   3.811
  174    HZ1  LYN  21           HZ1      LYN  21  33.413   3.683   5.972
  175    HZ2  LYN  21           HZ2      LYN  21  31.939   4.376   6.454
  176    HZ3  LYN  21           HZ3      LYN  21  32.999   5.243   5.449
  177    H1   LYN  21           H1       LYN  21  33.663   4.698   0.146
  178    H2   LYN  21           H2       LYN  21  33.673   4.863  -1.543
  Start of MODEL   17
    1   1H    HIS   1          HT1       HIS   1   5.915   1.484   2.350
    2   2H    HIS   1          HT2       HIS   1   6.307   3.008   1.709
    3   3H    HIS   1          HT3       HIS   1   6.909   1.596   0.981
    4    HA   HIS   1           HA       HIS   1   4.015   1.806   1.207
    5   1HB   HIS   1          HB2       HIS   1   4.427   4.052   0.503
    6   2HB   HIS   1          HB1       HIS   1   5.720   3.549  -0.585
    7    HD1  HIS   1           HD1      HIS   1   2.781   1.344  -0.665
    8    HD2  HIS   1           HD2      HIS   1   4.040   4.768  -2.681
    9    HE1  HIS   1           HE1      HIS   1   1.337   1.527  -2.737
   10    H    SER   2           HN       SER   2   5.732   1.971  -1.825
   11    HA   SER   2           HA       SER   2   6.252  -0.834  -2.158
   12   1HB   SER   2          HB2       SER   2   3.602   0.219  -3.126
   13   2HB   SER   2          HB1       SER   2   4.373  -1.184  -3.858
   14    HG   SER   2           HG       SER   2   2.829  -1.356  -1.904
   15    H    ASP   3           HN       ASP   3   7.321   1.882  -2.826
   16    HA   ASP   3           HA       ASP   3   7.495   1.503  -5.790
   17   1HB   ASP   3          HB2       ASP   3   6.229   3.526  -5.095
   18   2HB   ASP   3          HB1       ASP   3   7.669   4.113  -4.274
   19    H    GLY   4           HN       GLY   4   9.312   0.136  -4.293
   20   1HA   GLY   4          HA2       GLY   4  11.669  -0.171  -4.320
   21   2HA   GLY   4          HA1       GLY   4  11.818   1.381  -5.145
   22    H    ILE   5           HN       ILE   5  12.455   3.146  -3.952
   23    HA   ILE   5           HA       ILE   5  13.746   3.053  -1.547
   24    HB   ILE   5           HB       ILE   5  13.774   5.137  -2.636
   25   1HG1  ILE   5          HG12      ILE   5  13.460   5.152  -0.042
   26   2HG1  ILE   5          HG11      ILE   5  13.306   6.672  -0.920
   27   1HG2  ILE   5          HG21      ILE   5  10.774   4.883  -2.588
   28   2HG2  ILE   5          HG22      ILE   5  11.843   5.081  -3.977
   29   3HG2  ILE   5          HG23      ILE   5  11.557   6.435  -2.884
   30   1HD1  ILE   5          HD11      ILE   5  10.771   5.230  -0.797
   31   2HD1  ILE   5          HD12      ILE   5  11.136   6.892  -0.333
   32   3HD1  ILE   5          HD13      ILE   5  11.411   5.577   0.809
   33    H    PHE   6           HN       PHE   6  10.268   2.971  -1.970
   34    HA   PHE   6           HA       PHE   6   9.983   2.788   0.999
   35   1HB   PHE   6          HB2       PHE   6   8.445   4.125  -1.024
   36   2HB   PHE   6          HB1       PHE   6   7.439   2.888  -0.267
   37    HD1  PHE   6           HD1      PHE   6   7.599   6.118  -0.057
   38    HD2  PHE   6           HD2      PHE   6   8.694   2.812   2.455
   39    HE1  PHE   6           HE1      PHE   6   7.339   7.558   1.946
   40    HE2  PHE   6           HE2      PHE   6   8.434   4.250   4.460
   41    HZ   PHE   6           HZ       PHE   6   7.756   6.623   4.206
   42    H    THR   7           HN       THR   7  10.841   0.499   0.705
   43    HA   THR   7           HA       THR   7   8.697  -1.379   0.743
   44    HB   THR   7           HB       THR   7   8.734  -0.960  -1.712
   45    HG1  THR   7           HG1      THR   7   8.568  -3.066  -2.165
   46   1HG2  THR   7          HG21      THR   7  11.535  -1.045  -1.309
   47   2HG2  THR   7          HG22      THR   7  10.674  -0.806  -2.830
   48   3HG2  THR   7          HG23      THR   7  11.128  -2.431  -2.320
   49    H    ASP   8           HN       ASP   8  10.587  -3.476  -0.500
   50    HA   ASP   8           HA       ASP   8  12.228  -3.740   1.955
   51   1HB   ASP   8          HB2       ASP   8  10.830  -5.659   1.451
   52   2HB   ASP   8          HB1       ASP   8  11.476  -5.744  -0.188
   53    H    SER   9           HN       SER   9  12.661  -4.426  -1.543
   54    HA   SER   9           HA       SER   9  15.362  -4.780  -1.716
   55   1HB   SER   9          HB2       SER   9  15.159  -3.128  -3.802
   56   2HB   SER   9          HB1       SER   9  14.471  -4.746  -3.815
   57    HG   SER   9           HG       SER   9  13.200  -2.492  -4.149
   58    H    TYR  10           HN       TYR  10  13.995  -1.458  -1.964
   59    HA   TYR  10           HA       TYR  10  16.350  -0.021  -1.778
   60   1HB   TYR  10          HB2       TYR  10  14.904   1.697  -1.693
   61   2HB   TYR  10          HB1       TYR  10  13.602   0.537  -1.512
   62    HD1  TYR  10           HD1      TYR  10  12.650   0.033   0.689
   63    HD2  TYR  10           HD2      TYR  10  15.829   2.888   0.246
   64    HE1  TYR  10           HE1      TYR  10  12.218   0.867   2.982
   65    HE2  TYR  10           HE2      TYR  10  15.396   3.722   2.540
   66    HH   TYR  10           HH       TYR  10  13.777   2.119   4.804
   67    H    SER  11           HN       SER  11  14.413  -1.167   0.993
   68    HA   SER  11           HA       SER  11  16.017  -0.271   3.089
   69   1HB   SER  11          HB2       SER  11  13.903  -1.462   3.441
   70   2HB   SER  11          HB1       SER  11  14.616  -2.950   2.821
   71    HG   SER  11           HG       SER  11  14.574  -2.294   5.269
   72    H    ARG  12           HN       ARG  12  16.362  -3.364   1.328
   73    HA   ARG  12           HA       ARG  12  18.911  -3.973   2.585
   74   1HB   ARG  12          HB2       ARG  12  18.956  -5.892   1.168
   75   2HB   ARG  12          HB1       ARG  12  17.253  -5.649   1.547
   76   1HG   ARG  12          HG2       ARG  12  16.789  -4.751  -0.580
   77   2HG   ARG  12          HG1       ARG  12  18.488  -4.453  -0.935
   78   1HD   ARG  12          HD2       ARG  12  17.457  -7.245  -0.454
   79   2HD   ARG  12          HD1       ARG  12  17.381  -6.503  -2.052
   80    HE   ARG  12           HE       ARG  12  20.023  -6.151  -1.205
   81   1HH1  ARG  12          HH11      ARG  12  18.293  -8.941  -0.553
   82   2HH1  ARG  12          HH12      ARG  12  19.305 -10.001  -1.477
   83   1HH2  ARG  12          HH21      ARG  12  21.143  -7.431  -2.907
   84   2HH2  ARG  12          HH22      ARG  12  20.918  -9.146  -2.810
   85    H    TYR  13           HN       TYR  13  17.847  -2.112  -0.112
   86    HA   TYR  13           HA       TYR  13  20.516  -2.044  -1.365
   87   1HB   TYR  13          HB2       TYR  13  19.147  -1.835  -3.158
   88   2HB   TYR  13          HB1       TYR  13  17.764  -1.443  -2.147
   89    HD1  TYR  13           HD1      TYR  13  20.015  -0.209  -4.578
   90    HD2  TYR  13           HD2      TYR  13  17.765   1.003  -1.126
   91    HE1  TYR  13           HE1      TYR  13  20.160   2.154  -5.313
   92    HE2  TYR  13           HE2      TYR  13  17.911   3.365  -1.860
   93    HH   TYR  13           HH       TYR  13  19.813   4.291  -4.711
   94    H    ARG  14           HN       ARG  14  19.145  -0.588   1.259
   95    HA   ARG  14           HA       ARG  14  20.391   2.065   0.754
   96   1HB   ARG  14          HB2       ARG  14  18.008   1.566   1.850
   97   2HB   ARG  14          HB1       ARG  14  18.984   1.427   3.313
   98   1HG   ARG  14          HG2       ARG  14  20.059   3.676   2.432
   99   2HG   ARG  14          HG1       ARG  14  18.532   3.814   1.559
  100   1HD   ARG  14          HD2       ARG  14  17.365   3.365   3.779
  101   2HD   ARG  14          HD1       ARG  14  18.936   3.585   4.548
  102    HE   ARG  14           HE       ARG  14  18.740   5.871   3.090
  103   1HH1  ARG  14          HH11      ARG  14  17.881   5.224   6.100
  104   2HH1  ARG  14          HH12      ARG  14  16.443   6.187   6.169
  105   1HH2  ARG  14          HH21      ARG  14  16.289   6.679   2.740
  106   2HH2  ARG  14          HH22      ARG  14  15.542   7.011   4.267
  107    H    LYS  15           HN       LYS  15  20.173   0.043   3.699
  108    HA   LYS  15           HA       LYS  15  22.458   0.932   4.984
  109   1HB   LYS  15          HB2       LYS  15  21.250  -1.834   4.838
  110   2HB   LYS  15          HB1       LYS  15  22.649  -1.489   5.856
  111   1HG   LYS  15          HG2       LYS  15  21.012  -1.006   7.392
  112   2HG   LYS  15          HG1       LYS  15  21.070   0.566   6.593
  113   1HD   LYS  15          HD2       LYS  15  19.124   0.162   5.361
  114   2HD   LYS  15          HD1       LYS  15  19.275  -1.589   5.512
  115   1HE   LYS  15          HE2       LYS  15  17.557  -1.120   7.029
  116   2HE   LYS  15          HE1       LYS  15  18.977  -1.130   8.074
  117   1HZ   LYS  15          HZ1       LYS  15  18.325   1.406   6.813
  118   2HZ   LYS  15          HZ2       LYS  15  18.882   1.083   8.386
  119   3HZ   LYS  15          HZ3       LYS  15  17.240   0.870   8.001
  120    H    GLN  16           HN       GLN  16  22.337  -1.745   2.612
  121    HA   GLN  16           HA       GLN  16  25.008  -2.484   2.531
  122   1HB   GLN  16          HB2       GLN  16  23.077  -2.108   0.226
  123   2HB   GLN  16          HB1       GLN  16  24.663  -2.855   0.039
  124   1HG   GLN  16          HG2       GLN  16  22.358  -3.830   1.742
  125   2HG   GLN  16          HG1       GLN  16  23.106  -4.649   0.371
  126   1HE2  GLN  16          HE21      GLN  16  22.885  -5.457   3.325
  127   2HE2  GLN  16          HE22      GLN  16  24.484  -5.801   3.782
  128    H    MET  17           HN       MET  17  23.563   0.455   1.206
  129    HA   MET  17           HA       MET  17  25.578   1.440  -0.427
  130   1HB   MET  17          HB2       MET  17  23.994   2.971   1.657
  131   2HB   MET  17          HB1       MET  17  24.916   3.717   0.351
  132   1HG   MET  17          HG2       MET  17  23.038   1.587  -0.485
  133   2HG   MET  17          HG1       MET  17  22.286   3.053   0.142
  134   1HE   MET  17          HE1       MET  17  21.728   3.913  -3.403
  135   2HE   MET  17          HE2       MET  17  21.455   4.704  -1.853
  136   3HE   MET  17          HE3       MET  17  21.182   2.970  -2.010
  137    H    ALA  18           HN       ALA  18  25.429   2.618   2.933
  138    HA   ALA  18           HA       ALA  18  28.023   3.532   3.167
  139   1HB   ALA  18          HB1       ALA  18  26.237   2.172   5.175
  140   2HB   ALA  18          HB2       ALA  18  26.643   3.883   5.048
  141   3HB   ALA  18          HB3       ALA  18  27.846   2.732   5.630
  142    H    VAL  19           HN       VAL  19  27.022   0.236   4.086
  143    HA   VAL  19           HA       VAL  19  29.431  -0.944   4.685
  144    HB   VAL  19           HB       VAL  19  27.065  -1.972   3.138
  145   1HG1  VAL  19          HG11      VAL  19  28.770  -3.229   2.062
  146   2HG1  VAL  19          HG12      VAL  19  28.202  -4.275   3.364
  147   3HG1  VAL  19          HG13      VAL  19  29.710  -3.377   3.548
  148   1HG2  VAL  19          HG21      VAL  19  27.021  -3.517   5.148
  149   2HG2  VAL  19          HG22      VAL  19  26.814  -1.809   5.537
  150   3HG2  VAL  19          HG23      VAL  19  28.372  -2.592   5.805
  151    H    LYS  20           HN       LYS  20  28.223  -0.615   1.308
  152    HA   LYS  20           HA       LYS  20  30.844  -1.377   0.250
  153   1HB   LYS  20          HB2       LYS  20  28.567  -0.143  -1.309
  154   2HB   LYS  20          HB1       LYS  20  29.836  -1.216  -1.900
  155   1HG   LYS  20          HG2       LYS  20  28.920  -3.096  -0.749
  156   2HG   LYS  20          HG1       LYS  20  27.840  -2.075   0.202
  157   1HD   LYS  20          HD2       LYS  20  27.700  -2.367  -2.813
  158   2HD   LYS  20          HD1       LYS  20  26.672  -3.244  -1.679
  159   1HE   LYS  20          HE2       LYS  20  25.264  -1.486  -1.737
  160   2HE   LYS  20          HE1       LYS  20  26.495  -0.566  -0.872
  161   1HZ   LYS  20          HZ1       LYS  20  26.538  -0.867  -3.814
  162   2HZ   LYS  20          HZ2       LYS  20  27.366   0.268  -2.859
  163   3HZ   LYS  20          HZ3       LYS  20  25.682   0.384  -3.054
  164    HN   LYN  21           HN       LYN  21  31.249   0.788   1.894
  165    HA   LYN  21           HA       LYN  21  32.518   2.673   0.153
  166    HB1  LYN  21           HB1      LYN  21  29.955   3.614   1.474
  167    HB2  LYN  21           HB2      LYN  21  30.228   3.453  -0.262
  168    HG1  LYN  21           HG1      LYN  21  31.277   5.451  -0.356
  169    HG2  LYN  21           HG2      LYN  21  32.318   5.038   1.007
  170    HD1  LYN  21           HD1      LYN  21  30.387   5.563   2.538
  171    HD2  LYN  21           HD2      LYN  21  29.496   6.143   1.131
  172    HE1  LYN  21           HE1      LYN  21  30.479   8.147   1.461
  173    HE2  LYN  21           HE2      LYN  21  31.995   7.399   0.960
  174    HZ1  LYN  21           HZ1      LYN  21  30.939   7.492   3.734
  175    HZ2  LYN  21           HZ2      LYN  21  32.212   8.437   3.123
  176    HZ3  LYN  21           HZ3      LYN  21  32.389   6.752   3.258
  177    H1   LYN  21           H1       LYN  21  30.882   3.784   3.091
  178    H2   LYN  21           H2       LYN  21  32.270   3.795   4.066
  Start of MODEL   18
    1   1H    HIS   1          HT1       HIS   1   4.989   5.792   3.000
    2   2H    HIS   1          HT2       HIS   1   5.145   7.484   3.036
    3   3H    HIS   1          HT3       HIS   1   6.377   6.528   2.362
    4    HA   HIS   1           HA       HIS   1   3.676   7.062   1.280
    5   1HB   HIS   1          HB2       HIS   1   5.682   8.588   0.830
    6   2HB   HIS   1          HB1       HIS   1   6.386   7.233  -0.052
    7    HD1  HIS   1           HD1      HIS   1   5.991   9.277  -1.987
    8    HD2  HIS   1           HD2      HIS   1   2.696   7.056  -0.729
    9    HE1  HIS   1           HE1      HIS   1   4.216   9.555  -3.772
   10    H    SER   2           HN       SER   2   6.146   4.678   1.665
   11    HA   SER   2           HA       SER   2   6.310   2.485   0.839
   12   1HB   SER   2          HB2       SER   2   3.465   3.003  -0.042
   13   2HB   SER   2          HB1       SER   2   4.243   1.427   0.065
   14    HG   SER   2           HG       SER   2   4.384   1.672   2.273
   15    H    ASP   3           HN       ASP   3   7.732   3.833  -0.776
   16    HA   ASP   3           HA       ASP   3   6.809   3.082  -3.504
   17   1HB   ASP   3          HB2       ASP   3   6.210   5.430  -3.238
   18   2HB   ASP   3          HB1       ASP   3   7.842   5.806  -2.701
   19    H    GLY   4           HN       GLY   4   8.589   1.480  -2.437
   20   1HA   GLY   4          HA2       GLY   4  10.750   0.615  -2.882
   21   2HA   GLY   4          HA1       GLY   4  11.036   2.006  -3.932
   22    H    ILE   5           HN       ILE   5  12.275   3.675  -3.152
   23    HA   ILE   5           HA       ILE   5  14.016   3.499  -1.043
   24    HB   ILE   5           HB       ILE   5  14.259   5.385  -2.432
   25   1HG1  ILE   5          HG12      ILE   5  14.539   5.743   0.143
   26   2HG1  ILE   5          HG11      ILE   5  14.541   7.153  -0.913
   27   1HG2  ILE   5          HG21      ILE   5  11.361   5.863  -1.782
   28   2HG2  ILE   5          HG22      ILE   5  12.127   5.689  -3.361
   29   3HG2  ILE   5          HG23      ILE   5  12.370   7.161  -2.421
   30   1HD1  ILE   5          HD11      ILE   5  12.660   7.973   0.033
   31   2HD1  ILE   5          HD12      ILE   5  12.880   6.758   1.292
   32   3HD1  ILE   5          HD13      ILE   5  11.838   6.417  -0.088
   33    H    PHE   6           HN       PHE   6  10.593   4.211  -0.799
   34    HA   PHE   6           HA       PHE   6  10.921   4.455   2.160
   35   1HB   PHE   6          HB2       PHE   6   9.342   5.906   0.269
   36   2HB   PHE   6          HB1       PHE   6   8.250   5.038   1.349
   37    HD1  PHE   6           HD1      PHE   6   8.612   5.241   3.867
   38    HD2  PHE   6           HD2      PHE   6  10.528   7.808   1.007
   39    HE1  PHE   6           HE1      PHE   6   9.088   6.886   5.662
   40    HE2  PHE   6           HE2      PHE   6  11.004   9.455   2.800
   41    HZ   PHE   6           HZ       PHE   6  10.284   8.993   5.129
   42    H    THR   7           HN       THR   7  11.161   2.012   2.127
   43    HA   THR   7           HA       THR   7   8.728   0.749   2.872
   44    HB   THR   7           HB       THR   7   8.258   0.856   0.442
   45    HG1  THR   7           HG1      THR   7   7.609  -0.952   1.765
   46   1HG2  THR   7          HG21      THR   7   9.906   0.515  -1.039
   47   2HG2  THR   7          HG22      THR   7  10.063  -1.150  -0.480
   48   3HG2  THR   7          HG23      THR   7  11.011   0.128   0.280
   49    H    ASP   8           HN       ASP   8   9.804  -1.874   1.592
   50    HA   ASP   8           HA       ASP   8  11.842  -2.279   3.710
   51   1HB   ASP   8          HB2       ASP   8  10.032  -3.849   3.850
   52   2HB   ASP   8          HB1       ASP   8  10.137  -4.209   2.126
   53    H    SER   9           HN       SER   9  11.317  -3.440   0.350
   54    HA   SER   9           HA       SER   9  13.760  -4.476  -0.283
   55   1HB   SER   9          HB2       SER   9  13.466  -3.028  -2.517
   56   2HB   SER   9          HB1       SER   9  12.475  -4.436  -2.162
   57    HG   SER   9           HG       SER   9  11.698  -1.931  -2.504
   58    H    TYR  10           HN       TYR  10  13.154  -0.966  -0.784
   59    HA   TYR  10           HA       TYR  10  15.748  -0.146  -1.272
   60   1HB   TYR  10          HB2       TYR  10  14.750   1.866  -1.192
   61   2HB   TYR  10          HB1       TYR  10  13.315   1.086  -0.561
   62    HD1  TYR  10           HD1      TYR  10  12.778   1.143   1.811
   63    HD2  TYR  10           HD2      TYR  10  16.378   2.949   0.321
   64    HE1  TYR  10           HE1      TYR  10  13.084   2.313   3.975
   65    HE2  TYR  10           HE2      TYR  10  16.685   4.119   2.485
   66    HH   TYR  10           HH       TYR  10  14.931   4.881   4.428
   67    H    SER  11           HN       SER  11  14.265  -0.440   1.961
   68    HA   SER  11           HA       SER  11  16.446   0.232   3.552
   69   1HB   SER  11          HB2       SER  11  14.262  -0.332   4.487
   70   2HB   SER  11          HB1       SER  11  14.439  -2.006   3.965
   71    HG   SER  11           HG       SER  11  15.022  -1.422   6.234
   72    H    ARG  12           HN       ARG  12  15.704  -3.006   2.233
   73    HA   ARG  12           HA       ARG  12  18.262  -4.100   3.090
   74   1HB   ARG  12          HB2       ARG  12  17.570  -6.113   2.014
   75   2HB   ARG  12          HB1       ARG  12  16.088  -5.412   2.655
   76   1HG   ARG  12          HG2       ARG  12  15.373  -4.687   0.539
   77   2HG   ARG  12          HG1       ARG  12  16.980  -4.825  -0.167
   78   1HD   ARG  12          HD2       ARG  12  16.138  -7.372   0.912
   79   2HD   ARG  12          HD1       ARG  12  14.934  -6.759  -0.221
   80    HE   ARG  12           HE       ARG  12  17.788  -6.790  -1.058
   81   1HH1  ARG  12          HH11      ARG  12  16.376  -9.496  -1.025
   82   2HH1  ARG  12          HH12      ARG  12  15.802  -9.591  -2.657
   83   1HH2  ARG  12          HH21      ARG  12  16.257  -6.213  -3.294
   84   2HH2  ARG  12          HH22      ARG  12  15.735  -7.733  -3.941
   85    H    TYR  13           HN       TYR  13  17.077  -2.341   0.373
   86    HA   TYR  13           HA       TYR  13  19.359  -3.080  -1.342
   87   1HB   TYR  13          HB2       TYR  13  17.728  -2.726  -2.873
   88   2HB   TYR  13          HB1       TYR  13  16.707  -1.914  -1.695
   89    HD1  TYR  13           HD1      TYR  13  18.581  -1.508  -4.660
   90    HD2  TYR  13           HD2      TYR  13  17.463   0.553  -1.061
   91    HE1  TYR  13           HE1      TYR  13  19.064   0.663  -5.753
   92    HE2  TYR  13           HE2      TYR  13  17.947   2.724  -2.153
   93    HH   TYR  13           HH       TYR  13  19.108   2.865  -5.527
   94    H    ARG  14           HN       ARG  14  18.947  -1.048   1.224
   95    HA   ARG  14           HA       ARG  14  20.558   1.174   0.096
   96   1HB   ARG  14          HB2       ARG  14  18.505   1.358   1.757
   97   2HB   ARG  14          HB1       ARG  14  19.737   1.030   2.976
   98   1HG   ARG  14          HG2       ARG  14  21.050   2.901   1.566
   99   2HG   ARG  14          HG1       ARG  14  19.398   3.412   1.219
  100   1HD   ARG  14          HD2       ARG  14  18.902   3.771   3.498
  101   2HD   ARG  14          HD1       ARG  14  20.274   2.804   4.039
  102    HE   ARG  14           HE       ARG  14  21.691   4.707   2.990
  103   1HH1  ARG  14          HH21      ARG  14  18.632   5.799   2.724
  104   2HH1  ARG  14          HH22      ARG  14  18.779   7.144   3.805
  105   1HH2  ARG  14          HH11      ARG  14  21.848   6.137   5.064
  106   2HH2  ARG  14          HH12      ARG  14  20.600   7.336   5.130
  107    H    LYS  15           HN       LYS  15  20.721  -0.555   3.226
  108    HA   LYS  15           HA       LYS  15  23.357  -0.095   3.874
  109   1HB   LYS  15          HB2       LYS  15  21.667  -2.568   4.225
  110   2HB   LYS  15          HB1       LYS  15  23.322  -2.505   4.832
  111   1HG   LYS  15          HG2       LYS  15  22.193  -1.704   6.687
  112   2HG   LYS  15          HG1       LYS  15  22.494  -0.186   5.839
  113   1HD   LYS  15          HD2       LYS  15  20.291  -0.035   5.055
  114   2HD   LYS  15          HD1       LYS  15  19.996  -1.761   5.267
  115   1HE   LYS  15          HE2       LYS  15  18.893  -1.006   7.137
  116   2HE   LYS  15          HE1       LYS  15  20.513  -1.120   7.824
  117   1HZ   LYS  15          HZ1       LYS  15  20.871   1.185   7.432
  118   2HZ   LYS  15          HZ2       LYS  15  19.380   1.032   8.231
  119   3HZ   LYS  15          HZ3       LYS  15  19.424   1.332   6.560
  120    H    GLN  16           HN       GLN  16  22.199  -2.636   1.652
  121    HA   GLN  16           HA       GLN  16  24.531  -4.002   1.074
  122   1HB   GLN  16          HB2       GLN  16  22.387  -3.020  -0.827
  123   2HB   GLN  16          HB1       GLN  16  23.692  -4.088  -1.339
  124   1HG   GLN  16          HG2       GLN  16  21.600  -4.649   0.778
  125   2HG   GLN  16          HG1       GLN  16  21.808  -5.481  -0.763
  126   1HE2  GLN  16          HE21      GLN  16  21.969  -6.642   2.005
  127   2HE2  GLN  16          HE22      GLN  16  23.515  -7.334   2.116
  128    H    MET  17           HN       MET  17  23.587  -0.841  -0.300
  129    HA   MET  17           HA       MET  17  25.672  -0.364  -2.056
  130   1HB   MET  17          HB2       MET  17  24.530   1.579  -0.026
  131   2HB   MET  17          HB1       MET  17  25.493   2.041  -1.430
  132   1HG   MET  17          HG2       MET  17  23.786   0.852  -2.873
  133   2HG   MET  17          HG1       MET  17  22.785   0.687  -1.430
  134   1HE   MET  17          HE1       MET  17  21.278   3.388  -3.827
  135   2HE   MET  17          HE2       MET  17  20.655   2.344  -2.551
  136   3HE   MET  17          HE3       MET  17  21.738   1.681  -3.773
  137    H    ALA  18           HN       ALA  18  25.911   1.012   1.222
  138    HA   ALA  18           HA       ALA  18  28.638   1.431   1.306
  139   1HB   ALA  18          HB1       ALA  18  27.033   0.280   3.604
  140   2HB   ALA  18          HB2       ALA  18  27.042   1.985   3.150
  141   3HB   ALA  18          HB3       ALA  18  28.521   1.218   3.731
  142    H    VAL  19           HN       VAL  19  27.083  -1.563   2.459
  143    HA   VAL  19           HA       VAL  19  29.242  -3.150   3.055
  144    HB   VAL  19           HB       VAL  19  26.674  -3.784   1.622
  145   1HG1  VAL  19          HG11      VAL  19  28.151  -5.365   0.583
  146   2HG1  VAL  19          HG12      VAL  19  27.321  -6.234   1.874
  147   3HG1  VAL  19          HG13      VAL  19  28.981  -5.686   2.106
  148   1HG2  VAL  19          HG21      VAL  19  26.101  -4.829   3.672
  149   2HG2  VAL  19          HG22      VAL  19  26.984  -3.384   4.163
  150   3HG2  VAL  19          HG23      VAL  19  27.786  -4.954   4.176
  151    H    LYS  20           HN       LYS  20  28.004  -2.756  -0.302
  152    HA   LYS  20           HA       LYS  20  30.350  -4.093  -1.407
  153   1HB   LYS  20          HB2       LYS  20  28.356  -2.389  -2.914
  154   2HB   LYS  20          HB1       LYS  20  29.345  -3.709  -3.540
  155   1HG   LYS  20          HG2       LYS  20  28.108  -5.338  -2.255
  156   2HG   LYS  20          HG1       LYS  20  27.230  -4.069  -1.400
  157   1HD   LYS  20          HD2       LYS  20  27.101  -4.490  -4.399
  158   2HD   LYS  20          HD1       LYS  20  25.910  -5.123  -3.262
  159   1HE   LYS  20          HE2       LYS  20  24.844  -3.144  -3.319
  160   2HE   LYS  20          HE1       LYS  20  26.274  -2.380  -2.626
  161   1HZ   LYS  20          HZ1       LYS  20  27.157  -2.006  -4.787
  162   2HZ   LYS  20          HZ2       LYS  20  25.555  -1.441  -4.793
  163   3HZ   LYS  20          HZ3       LYS  20  25.937  -2.927  -5.522
  164    HN   LYN  21           HN       LYN  21  31.364  -2.089   0.147
  165    HA   LYN  21           HA       LYN  21  32.427  -0.208  -1.903
  166    HB1  LYN  21           HB1      LYN  21  32.336   1.623  -0.193
  167    HB2  LYN  21           HB2      LYN  21  31.409   0.547   0.853
  168    HG1  LYN  21           HG1      LYN  21  29.510   0.973  -0.288
  169    HG2  LYN  21           HG2      LYN  21  30.291   0.608  -1.827
  170    HD1  LYN  21           HD1      LYN  21  29.581   2.913  -1.909
  171    HD2  LYN  21           HD2      LYN  21  31.336   2.912  -1.730
  172    HE1  LYN  21           HE1      LYN  21  30.280   2.822   0.891
  173    HE2  LYN  21           HE2      LYN  21  29.334   4.033   0.027
  174    HZ1  LYN  21           HZ1      LYN  21  31.825   4.584  -0.797
  175    HZ2  LYN  21           HZ2      LYN  21  32.118   4.068   0.795
  176    HZ3  LYN  21           HZ3      LYN  21  31.054   5.359   0.499
  177    H1   LYN  21           H1       LYN  21  33.396  -2.685  -0.279
  178    H2   LYN  21           H2       LYN  21  34.857  -2.158   0.406
  Start of MODEL   19
    1   1H    HIS   1          HT1       HIS   1   6.212  -5.250  -4.410
    2   2H    HIS   1          HT2       HIS   1   7.737  -4.968  -3.718
    3   3H    HIS   1          HT3       HIS   1   6.342  -4.930  -2.750
    4    HA   HIS   1           HA       HIS   1   6.128  -7.382  -3.753
    5   1HB   HIS   1          HB2       HIS   1   8.435  -6.876  -4.842
    6   2HB   HIS   1          HB1       HIS   1   9.079  -7.087  -3.213
    7    HD1  HIS   1           HD1      HIS   1  10.087  -9.179  -4.984
    8    HD2  HIS   1           HD2      HIS   1   6.316  -9.541  -3.244
    9    HE1  HIS   1           HE1      HIS   1   9.509 -11.644  -5.032
   10    H    SER   2           HN       SER   2   7.598  -5.260  -1.402
   11    HA   SER   2           HA       SER   2   7.619  -5.373   0.947
   12   1HB   SER   2          HB2       SER   2   5.669  -7.632   0.489
   13   2HB   SER   2          HB1       SER   2   5.962  -6.814   2.020
   14    HG   SER   2           HG       SER   2   4.434  -6.060  -0.106
   15    H    ASP   3           HN       ASP   3   9.634  -6.818  -0.494
   16    HA   ASP   3           HA       ASP   3  10.080  -9.048   1.444
   17   1HB   ASP   3          HB2       ASP   3   9.365  -9.819  -0.846
   18   2HB   ASP   3          HB1       ASP   3  10.846  -9.115  -1.474
   19    H    GLY   4           HN       GLY   4  11.163  -6.725   2.125
   20   1HA   GLY   4          HA2       GLY   4  13.302  -5.895   2.753
   21   2HA   GLY   4          HA1       GLY   4  14.037  -7.210   1.831
   22    H    ILE   5           HN       ILE   5  14.904  -6.724  -0.149
   23    HA   ILE   5           HA       ILE   5  15.531  -4.229  -1.074
   24    HB   ILE   5           HB       ILE   5  16.421  -6.012  -2.324
   25   1HG1  ILE   5          HG12      ILE   5  14.261  -4.682  -3.993
   26   2HG1  ILE   5          HG11      ILE   5  15.951  -4.198  -3.852
   27   1HG2  ILE   5          HG21      ILE   5  14.933  -7.651  -3.510
   28   2HG2  ILE   5          HG22      ILE   5  13.554  -6.903  -2.704
   29   3HG2  ILE   5          HG23      ILE   5  14.802  -7.708  -1.752
   30   1HD1  ILE   5          HD11      ILE   5  16.317  -6.730  -4.666
   31   2HD1  ILE   5          HD12      ILE   5  16.104  -5.401  -5.805
   32   3HD1  ILE   5          HD13      ILE   5  14.738  -6.439  -5.396
   33    H    PHE   6           HN       PHE   6  12.381  -5.748  -1.319
   34    HA   PHE   6           HA       PHE   6  11.379  -3.281  -2.675
   35   1HB   PHE   6          HB2       PHE   6  10.728  -6.127  -2.905
   36   2HB   PHE   6          HB1       PHE   6   9.301  -5.110  -2.702
   37    HD1  PHE   6           HD1      PHE   6   9.267  -2.903  -4.152
   38    HD2  PHE   6           HD2      PHE   6  11.677  -6.349  -5.018
   39    HE1  PHE   6           HE1      PHE   6   9.475  -2.166  -6.512
   40    HE2  PHE   6           HE2      PHE   6  11.885  -5.616  -7.378
   41    HZ   PHE   6           HZ       PHE   6  10.783  -3.522  -8.125
   42    H    THR   7           HN       THR   7  11.543  -2.282  -0.436
   43    HA   THR   7           HA       THR   7   8.974  -2.226   0.815
   44    HB   THR   7           HB       THR   7   9.768  -4.423   1.699
   45    HG1  THR   7           HG1      THR   7   8.386  -3.299   2.995
   46   1HG2  THR   7          HG21      THR   7  11.653  -3.366   3.610
   47   2HG2  THR   7          HG22      THR   7  12.203  -3.027   1.969
   48   3HG2  THR   7          HG23      THR   7  11.865  -4.686   2.460
   49    H    ASP   8           HN       ASP   8  10.422  -1.665   3.499
   50    HA   ASP   8           HA       ASP   8  11.227   1.076   2.701
   51   1HB   ASP   8          HB2       ASP   8   9.505   1.038   4.386
   52   2HB   ASP   8          HB1       ASP   8  10.421  -0.108   5.366
   53    H    SER   9           HN       SER   9  12.292  -1.353   5.122
   54    HA   SER   9           HA       SER   9  14.720  -0.355   5.882
   55   1HB   SER   9          HB2       SER   9  15.542  -2.870   5.512
   56   2HB   SER   9          HB1       SER   9  14.435  -2.423   6.803
   57    HG   SER   9           HG       SER   9  14.026  -3.990   4.630
   58    H    TYR  10           HN       TYR  10  14.511  -2.506   3.002
   59    HA   TYR  10           HA       TYR  10  17.061  -2.132   2.006
   60   1HB   TYR  10          HB2       TYR  10  16.211  -3.326   0.303
   61   2HB   TYR  10          HB1       TYR  10  14.622  -3.137   1.017
   62    HD1  TYR  10           HD1      TYR  10  16.936  -1.942  -1.581
   63    HD2  TYR  10           HD2      TYR  10  13.068  -1.406   0.212
   64    HE1  TYR  10           HE1      TYR  10  16.228  -0.561  -3.514
   65    HE2  TYR  10           HE2      TYR  10  12.362  -0.026  -1.721
   66    HH   TYR  10           HH       TYR  10  14.254   0.192  -4.610
   67    H    SER  11           HN       SER  11  14.256  -0.030   1.328
   68    HA   SER  11           HA       SER  11  15.496   1.882  -0.284
   69   1HB   SER  11          HB2       SER  11  13.106   1.941   0.254
   70   2HB   SER  11          HB1       SER  11  13.473   2.330   1.934
   71    HG   SER  11           HG       SER  11  13.166   3.998  -0.074
   72    H    ARG  12           HN       ARG  12  15.291   1.948   3.291
   73    HA   ARG  12           HA       ARG  12  17.178   4.135   3.524
   74   1HB   ARG  12          HB2       ARG  12  17.032   3.785   5.884
   75   2HB   ARG  12          HB1       ARG  12  15.428   3.404   5.263
   76   1HG   ARG  12          HG2       ARG  12  15.769   1.084   5.478
   77   2HG   ARG  12          HG1       ARG  12  17.517   1.253   5.621
   78   1HD   ARG  12          HD2       ARG  12  15.409   1.999   7.655
   79   2HD   ARG  12          HD1       ARG  12  16.722   0.834   7.833
   80    HE   ARG  12           HE       ARG  12  18.268   2.875   7.659
   81   1HH1  ARG  12          HH21      ARG  12  15.505   4.440   7.355
   82   2HH1  ARG  12          HH22      ARG  12  15.503   5.261   8.880
   83   1HH2  ARG  12          HH11      ARG  12  18.057   3.336  10.221
   84   2HH2  ARG  12          HH12      ARG  12  16.947   4.636  10.503
   85    H    TYR  13           HN       TYR  13  17.395   0.726   3.121
   86    HA   TYR  13           HA       TYR  13  20.209   0.609   4.008
   87   1HB   TYR  13          HB2       TYR  13  19.415  -1.434   4.605
   88   2HB   TYR  13          HB1       TYR  13  18.018  -1.288   3.548
   89    HD1  TYR  13           HD1      TYR  13  18.502  -1.572   0.968
   90    HD2  TYR  13           HD2      TYR  13  21.079  -2.983   4.100
   91    HE1  TYR  13           HE1      TYR  13  19.538  -3.178  -0.609
   92    HE2  TYR  13           HE2      TYR  13  22.118  -4.588   2.523
   93    HH   TYR  13           HH       TYR  13  21.756  -4.394  -0.801
   94    H    ARG  14           HN       ARG  14  18.735   1.757   1.346
   95    HA   ARG  14           HA       ARG  14  20.853   0.715  -0.494
   96   1HB   ARG  14          HB2       ARG  14  18.070   0.717  -0.827
   97   2HB   ARG  14          HB1       ARG  14  18.639   2.058  -1.821
   98   1HG   ARG  14          HG2       ARG  14  20.454   0.358  -2.629
   99   2HG   ARG  14          HG1       ARG  14  19.337  -0.861  -2.013
  100   1HD   ARG  14          HD2       ARG  14  18.256  -0.700  -3.987
  101   2HD   ARG  14          HD1       ARG  14  17.706   0.888  -3.451
  102    HE   ARG  14           HE       ARG  14  20.350   1.028  -4.622
  103   1HH1  ARG  14          HH21      ARG  14  17.473   2.487  -4.859
  104   2HH1  ARG  14          HH22      ARG  14  17.354   2.497  -6.587
  105   1HH2  ARG  14          HH11      ARG  14  19.997   0.299  -7.046
  106   2HH2  ARG  14          HH12      ARG  14  18.783   1.258  -7.825
  107    H    LYS  15           HN       LYS  15  18.703   3.553  -0.683
  108    HA   LYS  15           HA       LYS  15  20.424   5.345  -1.868
  109   1HB   LYS  15          HB2       LYS  15  19.263   7.070  -0.187
  110   2HB   LYS  15          HB1       LYS  15  18.360   6.310  -1.497
  111   1HG   LYS  15          HG2       LYS  15  17.187   4.933  -0.078
  112   2HG   LYS  15          HG1       LYS  15  18.518   4.812   1.073
  113   1HD   LYS  15          HD2       LYS  15  16.850   6.117   2.169
  114   2HD   LYS  15          HD1       LYS  15  18.069   7.271   1.627
  115   1HE   LYS  15          HE2       LYS  15  16.314   8.370   0.692
  116   2HE   LYS  15          HE1       LYS  15  16.424   7.139  -0.565
  117   1HZ   LYS  15          HZ1       LYS  15  14.708   5.921   0.358
  118   2HZ   LYS  15          HZ2       LYS  15  14.184   7.519   0.595
  119   3HZ   LYS  15          HZ3       LYS  15  14.861   6.644   1.884
  120    H    GLN  16           HN       GLN  16  20.296   4.628   1.628
  121    HA   GLN  16           HA       GLN  16  22.213   6.464   2.538
  122   1HB   GLN  16          HB2       GLN  16  21.735   3.601   3.423
  123   2HB   GLN  16          HB1       GLN  16  22.766   4.735   4.293
  124   1HG   GLN  16          HG2       GLN  16  19.787   4.938   3.808
  125   2HG   GLN  16          HG1       GLN  16  20.631   4.865   5.355
  126   1HE2  GLN  16          HE21      GLN  16  18.834   7.035   4.085
  127   2HE2  GLN  16          HE22      GLN  16  19.756   8.454   4.221
  128    H    MET  17           HN       MET  17  22.892   3.077   1.579
  129    HA   MET  17           HA       MET  17  25.648   3.065   1.661
  130   1HB   MET  17          HB2       MET  17  23.913   1.938  -0.556
  131   2HB   MET  17          HB1       MET  17  25.597   1.494  -0.271
  132   1HG   MET  17          HG2       MET  17  24.722   1.024   2.183
  133   2HG   MET  17          HG1       MET  17  23.167   0.863   1.365
  134   1HE   MET  17          HE1       MET  17  24.884  -2.566   2.360
  135   2HE   MET  17          HE2       MET  17  23.206  -2.101   2.092
  136   3HE   MET  17          HE3       MET  17  24.261  -1.056   3.040
  137    H    ALA  18           HN       ALA  18  24.030   3.733  -1.458
  138    HA   ALA  18           HA       ALA  18  26.148   4.808  -2.847
  139   1HB   ALA  18          HB1       ALA  18  23.667   4.574  -3.556
  140   2HB   ALA  18          HB2       ALA  18  24.595   5.906  -4.246
  141   3HB   ALA  18          HB3       ALA  18  23.480   6.205  -2.913
  142    H    VAL  19           HN       VAL  19  23.932   6.766  -0.855
  143    HA   VAL  19           HA       VAL  19  25.097   9.253  -0.983
  144    HB   VAL  19           HB       VAL  19  23.902   7.753   1.335
  145   1HG1  VAL  19          HG11      VAL  19  25.585   9.089   2.444
  146   2HG1  VAL  19          HG12      VAL  19  24.035   9.906   2.649
  147   3HG1  VAL  19          HG13      VAL  19  25.191  10.495   1.455
  148   1HG2  VAL  19          HG21      VAL  19  22.392   8.680  -0.335
  149   2HG2  VAL  19          HG22      VAL  19  23.184  10.253  -0.231
  150   3HG2  VAL  19          HG23      VAL  19  22.255   9.641   1.138
  151    H    LYS  20           HN       LYS  20  26.222   6.711   1.308
  152    HA   LYS  20           HA       LYS  20  28.701   8.250   1.745
  153   1HB   LYS  20          HB2       LYS  20  28.038   5.521   2.865
  154   2HB   LYS  20          HB1       LYS  20  29.154   6.721   3.516
  155   1HG   LYS  20          HG2       LYS  20  27.438   8.080   4.323
  156   2HG   LYS  20          HG1       LYS  20  26.256   7.433   3.184
  157   1HD   LYS  20          HD2       LYS  20  27.441   5.947   5.548
  158   2HD   LYS  20          HD1       LYS  20  25.803   6.593   5.449
  159   1HE   LYS  20          HE2       LYS  20  25.637   5.146   3.276
  160   2HE   LYS  20          HE1       LYS  20  27.011   4.276   3.958
  161   1HZ   LYS  20          HZ1       LYS  20  25.758   3.812   5.925
  162   2HZ   LYS  20          HZ2       LYS  20  24.834   3.331   4.582
  163   3HZ   LYS  20          HZ3       LYS  20  24.464   4.774   5.399
  164    HN   LYN  21           HN       LYN  21  30.604   6.290   2.017
  165    HA   LYN  21           HA       LYN  21  30.792   4.240   0.136
  166    HB1  LYN  21           HB1      LYN  21  30.370   5.702  -1.693
  167    HB2  LYN  21           HB2      LYN  21  32.119   5.471  -1.691
  168    HG1  LYN  21           HG1      LYN  21  32.438   7.681  -1.402
  169    HG2  LYN  21           HG2      LYN  21  31.448   7.658   0.058
  170    HD1  LYN  21           HD1      LYN  21  30.583   9.198  -1.741
  171    HD2  LYN  21           HD2      LYN  21  29.425   7.967  -1.239
  172    HE1  LYN  21           HE1      LYN  21  31.001   6.829  -3.314
  173    HE2  LYN  21           HE2      LYN  21  30.522   8.438  -3.856
  174    HZ1  LYN  21           HZ1      LYN  21  28.234   7.630  -2.847
  175    HZ2  LYN  21           HZ2      LYN  21  28.872   6.108  -3.251
  176    HZ3  LYN  21           HZ3      LYN  21  28.677   7.297  -4.450
  177    H1   LYN  21           H1       LYN  21  33.343   4.083  -0.640
  178    H2   LYN  21           H2       LYN  21  34.436   4.459   0.603
  Start of MODEL   20
    1   1H    HIS   1          HT1       HIS   1   6.960   1.760   0.642
    2   2H    HIS   1          HT2       HIS   1   6.016   2.888   1.492
    3   3H    HIS   1          HT3       HIS   1   6.597   3.259  -0.061
    4    HA   HIS   1           HA       HIS   1   4.144   2.236   0.527
    5   1HB   HIS   1          HB2       HIS   1   4.545   3.446  -1.489
    6   2HB   HIS   1          HB1       HIS   1   5.808   2.326  -1.998
    7    HD1  HIS   1           HD1      HIS   1   2.839   0.687  -0.569
    8    HD2  HIS   1           HD2      HIS   1   4.101   1.888  -4.357
    9    HE1  HIS   1           HE1      HIS   1   1.352  -0.509  -2.234
   10    H    SER   2           HN       SER   2   5.794   0.316  -1.880
   11    HA   SER   2           HA       SER   2   6.271  -2.037  -0.322
   12   1HB   SER   2          HB2       SER   2   3.557  -1.740  -1.568
   13   2HB   SER   2          HB1       SER   2   4.289  -3.327  -1.362
   14    HG   SER   2           HG       SER   2   2.913  -2.208   0.412
   15    H    ASP   3           HN       ASP   3   7.308  -0.488  -2.647
   16    HA   ASP   3           HA       ASP   3   7.296  -2.724  -4.633
   17   1HB   ASP   3          HB2       ASP   3   6.046  -0.603  -5.274
   18   2HB   ASP   3          HB1       ASP   3   7.610   0.193  -5.319
   19    H    GLY   4           HN       GLY   4   9.206  -2.868  -2.749
   20   1HA   GLY   4          HA2       GLY   4  11.565  -3.182  -2.697
   21   2HA   GLY   4          HA1       GLY   4  11.653  -2.478  -4.312
   22    H    ILE   5           HN       ILE   5  12.367  -0.385  -4.492
   23    HA   ILE   5           HA       ILE   5  13.738   1.020  -2.592
   24    HB   ILE   5           HB       ILE   5  13.747   1.987  -4.733
   25   1HG1  ILE   5          HG12      ILE   5  11.999   3.719  -2.954
   26   2HG1  ILE   5          HG11      ILE   5  13.755   3.780  -3.103
   27   1HG2  ILE   5          HG21      ILE   5  11.608   2.762  -5.822
   28   2HG2  ILE   5          HG22      ILE   5  10.731   1.962  -4.517
   29   3HG2  ILE   5          HG23      ILE   5  11.736   1.015  -5.615
   30   1HD1  ILE   5          HD11      ILE   5  11.656   4.693  -5.048
   31   2HD1  ILE   5          HD12      ILE   5  13.242   4.206  -5.645
   32   3HD1  ILE   5          HD13      ILE   5  13.103   5.536  -4.496
   33    H    PHE   6           HN       PHE   6  10.248   0.778  -2.799
   34    HA   PHE   6           HA       PHE   6  10.058   2.492  -0.359
   35   1HB   PHE   6          HB2       PHE   6   8.365   2.133  -2.727
   36   2HB   PHE   6          HB1       PHE   6   7.469   2.042  -1.210
   37    HD1  PHE   6           HD1      PHE   6   8.304   4.258  -3.652
   38    HD2  PHE   6           HD2      PHE   6   8.645   3.844   0.608
   39    HE1  PHE   6           HE1      PHE   6   8.459   6.723  -3.429
   40    HE2  PHE   6           HE2      PHE   6   8.798   6.311   0.834
   41    HZ   PHE   6           HZ       PHE   6   8.706   7.750  -1.184
   42    H    THR   7           HN       THR   7  10.880   0.490   0.810
   43    HA   THR   7           HA       THR   7   8.706  -0.903   2.036
   44    HB   THR   7           HB       THR   7   8.744  -2.116  -0.149
   45    HG1  THR   7           HG1      THR   7   8.264  -3.105   1.956
   46   1HG2  THR   7          HG21      THR   7  11.534  -1.963   0.224
   47   2HG2  THR   7          HG22      THR   7  10.677  -2.776  -1.086
   48   3HG2  THR   7          HG23      THR   7  11.120  -3.672   0.367
   49    H    ASP   8           HN       ASP   8  10.591  -3.334   2.376
   50    HA   ASP   8           HA       ASP   8  12.245  -2.000   4.445
   51   1HB   ASP   8          HB2       ASP   8  10.862  -3.780   5.306
   52   2HB   ASP   8          HB1       ASP   8  11.428  -4.888   4.055
   53    H    SER   9           HN       SER   9  12.642  -4.742   2.161
   54    HA   SER   9           HA       SER   9  15.341  -5.150   2.230
   55   1HB   SER   9          HB2       SER   9  15.109  -5.165  -0.434
   56   2HB   SER   9          HB1       SER   9  14.438  -6.436   0.580
   57    HG   SER   9           HG       SER   9  13.171  -4.689  -1.014
   58    H    TYR  10           HN       TYR  10  13.976  -2.718  -0.045
   59    HA   TYR  10           HA       TYR  10  16.330  -1.503  -0.829
   60   1HB   TYR  10          HB2       TYR  10  14.888  -0.107  -1.836
   61   2HB   TYR  10          HB1       TYR  10  13.586  -0.883  -0.954
   62    HD1  TYR  10           HD1      TYR  10  15.801   2.047  -1.129
   63    HD2  TYR  10           HD2      TYR  10  12.690   0.112   1.115
   64    HE1  TYR  10           HE1      TYR  10  15.395   4.147   0.125
   65    HE2  TYR  10           HE2      TYR  10  12.285   2.211   2.368
   66    HH   TYR  10           HH       TYR  10  13.365   5.169   1.390
   67    H    SER  11           HN       SER  11  14.441  -0.634   2.076
   68    HA   SER  11           HA       SER  11  16.094   1.380   3.084
   69   1HB   SER  11          HB2       SER  11  13.988   0.753   4.151
   70   2HB   SER  11          HB1       SER  11  14.653  -0.816   4.604
   71    HG   SER  11           HG       SER  11  14.724   0.834   6.275
   72    H    ARG  12           HN       ARG  12  16.394  -2.136   3.659
   73    HA   ARG  12           HA       ARG  12  18.958  -1.843   5.005
   74   1HB   ARG  12          HB2       ARG  12  18.972  -4.224   5.131
   75   2HB   ARG  12          HB1       ARG  12  17.276  -3.773   5.282
   76   1HG   ARG  12          HG2       ARG  12  16.788  -4.428   3.073
   77   2HG   ARG  12          HG1       ARG  12  18.483  -4.444   2.596
   78   1HD   ARG  12          HD2       ARG  12  17.517  -6.269   4.781
   79   2HD   ARG  12          HD1       ARG  12  17.287  -6.716   3.090
   80    HE   ARG  12           HE       ARG  12  20.001  -5.940   3.424
   81   1HH1  ARG  12          HH21      ARG  12  18.385  -7.902   5.569
   82   2HH1  ARG  12          HH22      ARG  12  19.303  -9.335   5.246
   83   1HH2  ARG  12          HH11      ARG  12  20.933  -7.992   2.496
   84   2HH2  ARG  12          HH12      ARG  12  20.745  -9.386   3.507
   85    H    TYR  13           HN       TYR  13  17.872  -2.113   1.738
   86    HA   TYR  13           HA       TYR  13  20.523  -2.905   0.720
   87   1HB   TYR  13          HB2       TYR  13  19.152  -3.825  -0.827
   88   2HB   TYR  13          HB1       TYR  13  17.776  -2.894  -0.252
   89    HD1  TYR  13           HD1      TYR  13  19.975  -3.424  -2.965
   90    HD2  TYR  13           HD2      TYR  13  17.780  -0.333  -0.950
   91    HE1  TYR  13           HE1      TYR  13  20.092  -2.016  -5.001
   92    HE2  TYR  13           HE2      TYR  13  17.896   1.077  -2.984
   93    HH   TYR  13           HH       TYR  13  18.823   1.303  -5.013
   94    H    ARG  14           HN       ARG  14  19.061  -0.062   1.711
   95    HA   ARG  14           HA       ARG  14  20.457   1.635  -0.283
   96   1HB   ARG  14          HB2       ARG  14  18.030   1.989   0.726
   97   2HB   ARG  14          HB1       ARG  14  18.927   2.757   2.036
   98   1HG   ARG  14          HG2       ARG  14  20.168   4.012   0.101
   99   2HG   ARG  14          HG1       ARG  14  18.759   3.555  -0.857
  100   1HD   ARG  14          HD2       ARG  14  17.312   4.871   0.388
  101   2HD   ARG  14          HD1       ARG  14  18.312   4.780   1.838
  102    HE   ARG  14           HE       ARG  14  19.805   6.201  -0.092
  103   1HH1  ARG  14          HH11      ARG  14  16.562   6.743   0.181
  104   2HH1  ARG  14          HH12      ARG  14  16.677   8.338   0.847
  105   1HH2  ARG  14          HH21      ARG  14  20.094   8.145   1.406
  106   2HH2  ARG  14          HH22      ARG  14  18.676   9.132   1.540
  107    H    LYS  15           HN       LYS  15  20.102   1.841   3.278
  108    HA   LYS  15           HA       LYS  15  22.262   3.414   3.908
  109   1HB   LYS  15          HB2       LYS  15  21.884   0.880   5.488
  110   2HB   LYS  15          HB1       LYS  15  22.237   2.505   6.070
  111   1HG   LYS  15          HG2       LYS  15  19.612   1.425   5.036
  112   2HG   LYS  15          HG1       LYS  15  19.951   2.143   6.611
  113   1HD   LYS  15          HD2       LYS  15  20.701   4.083   4.702
  114   2HD   LYS  15          HD1       LYS  15  19.146   3.448   4.162
  115   1HE   LYS  15          HE2       LYS  15  18.032   4.194   6.039
  116   2HE   LYS  15          HE1       LYS  15  19.457   4.058   7.069
  117   1HZ   LYS  15          HZ1       LYS  15  19.606   5.998   4.909
  118   2HZ   LYS  15          HZ2       LYS  15  20.176   6.101   6.506
  119   3HZ   LYS  15          HZ3       LYS  15  18.533   6.371   6.168
  120    H    GLN  16           HN       GLN  16  22.458  -0.135   3.471
  121    HA   GLN  16           HA       GLN  16  25.172  -0.547   3.868
  122   1HB   GLN  16          HB2       GLN  16  23.371  -1.717   1.729
  123   2HB   GLN  16          HB1       GLN  16  25.012  -2.290   2.022
  124   1HG   GLN  16          HG2       GLN  16  22.677  -2.334   3.948
  125   2HG   GLN  16          HG1       GLN  16  23.556  -3.715   3.291
  126   1HE2  GLN  16          HE21      GLN  16  26.229  -2.522   3.618
  127   2HE2  GLN  16          HE22      GLN  16  26.549  -2.495   5.285
  128    H    MET  17           HN       MET  17  23.620   0.942   1.061
  129    HA   MET  17           HA       MET  17  25.637   1.031  -0.820
  130   1HB   MET  17          HB2       MET  17  23.869   3.333   0.056
  131   2HB   MET  17          HB1       MET  17  24.805   3.305  -1.439
  132   1HG   MET  17          HG2       MET  17  23.284   0.863  -1.186
  133   2HG   MET  17          HG1       MET  17  22.215   2.257  -1.030
  134   1HE   MET  17          HE1       MET  17  21.087   1.196  -2.964
  135   2HE   MET  17          HE2       MET  17  22.259   0.047  -3.605
  136   3HE   MET  17          HE3       MET  17  21.591   1.292  -4.657
  137    H    ALA  18           HN       ALA  18  25.273   3.814   1.385
  138    HA   ALA  18           HA       ALA  18  27.749   4.972   1.047
  139   1HB   ALA  18          HB1       ALA  18  26.043   5.917   2.538
  140   2HB   ALA  18          HB2       ALA  18  27.586   5.786   3.383
  141   3HB   ALA  18          HB3       ALA  18  26.310   4.607   3.688
  142    H    VAL  19           HN       VAL  19  27.087   2.567   3.594
  143    HA   VAL  19           HA       VAL  19  29.590   2.132   4.634
  144    HB   VAL  19           HB       VAL  19  27.387   0.205   3.941
  145   1HG1  VAL  19          HG11      VAL  19  29.050  -1.380   3.694
  146   2HG1  VAL  19          HG12      VAL  19  28.906  -1.392   5.452
  147   3HG1  VAL  19          HG13      VAL  19  30.201  -0.478   4.680
  148   1HG2  VAL  19          HG21      VAL  19  28.658   0.626   6.632
  149   2HG2  VAL  19          HG22      VAL  19  26.984   0.231   6.241
  150   3HG2  VAL  19          HG23      VAL  19  27.586   1.868   5.983
  151    H    LYS  20           HN       LYS  20  28.442   0.491   1.642
  152    HA   LYS  20           HA       LYS  20  31.160  -0.418   1.045
  153   1HB   LYS  20          HB2       LYS  20  30.122  -1.313  -1.028
  154   2HB   LYS  20          HB1       LYS  20  29.241  -1.813   0.416
  155   1HG   LYS  20          HG2       LYS  20  27.587  -0.050   0.064
  156   2HG   LYS  20          HG1       LYS  20  28.494   0.556  -1.323
  157   1HD   LYS  20          HD2       LYS  20  27.300  -0.848  -2.618
  158   2HD   LYS  20          HD1       LYS  20  28.133  -2.185  -1.824
  159   1HE   LYS  20          HE2       LYS  20  26.356  -1.904   0.046
  160   2HE   LYS  20          HE1       LYS  20  25.453  -0.979  -1.154
  161   1HZ   LYS  20          HZ1       LYS  20  25.573  -2.871  -2.651
  162   2HZ   LYS  20          HZ2       LYS  20  24.829  -3.309  -1.188
  163   3HZ   LYS  20          HZ3       LYS  20  26.438  -3.760  -1.494
  164    HN   LYN  21           HN       LYN  21  31.278   2.316   1.275
  165    HA   LYN  21           HA       LYN  21  32.013   3.090  -1.472
  166    HB1  LYN  21           HB1      LYN  21  30.761   5.249  -1.297
  167    HB2  LYN  21           HB2      LYN  21  29.996   4.647   0.174
  168    HG1  LYN  21           HG1      LYN  21  29.087   2.726  -1.114
  169    HG2  LYN  21           HG2      LYN  21  29.815   3.384  -2.580
  170    HD1  LYN  21           HD1      LYN  21  28.005   5.118  -0.925
  171    HD2  LYN  21           HD2      LYN  21  27.299   3.922  -2.013
  172    HE1  LYN  21           HE1      LYN  21  29.059   4.983  -3.717
  173    HE2  LYN  21           HE2      LYN  21  28.882   6.377  -2.651
  174    HZ1  LYN  21           HZ1      LYN  21  27.280   6.423  -4.464
  175    HZ2  LYN  21           HZ2      LYN  21  26.497   6.284  -2.963
  176    HZ3  LYN  21           HZ3      LYN  21  26.653   4.926  -3.973
  177    H1   LYN  21           H1       LYN  21  32.999   5.513  -1.265
  178    H2   LYN  21           H2       LYN  21  33.982   5.747   0.098
  Start of MODEL   21
    1   1H    HIS   1          HT1       HIS   1   1.226   5.672   1.417
    2   2H    HIS   1          HT2       HIS   1   2.847   5.464   1.879
    3   3H    HIS   1          HT3       HIS   1   1.853   4.110   1.625
    4    HA   HIS   1           HA       HIS   1   1.663   4.659  -0.723
    5   1HB   HIS   1          HB2       HIS   1   2.020   7.139  -0.299
    6   2HB   HIS   1          HB1       HIS   1   3.739   6.784  -0.131
    7    HD1  HIS   1           HD1      HIS   1   0.982   6.024  -2.672
    8    HD2  HIS   1           HD2      HIS   1   5.044   6.954  -2.550
    9    HE1  HIS   1           HE1      HIS   1   1.756   6.171  -5.079
   10    H    SER   2           HN       SER   2   4.888   5.492   0.566
   11    HA   SER   2           HA       SER   2   6.921   4.346   0.396
   12   1HB   SER   2          HB2       SER   2   5.069   1.947   0.467
   13   2HB   SER   2          HB1       SER   2   6.812   1.892   0.713
   14    HG   SER   2           HG       SER   2   5.125   2.175   2.572
   15    H    ASP   3           HN       ASP   3   8.239   3.058  -1.156
   16    HA   ASP   3           HA       ASP   3   7.129   1.947  -3.562
   17   1HB   ASP   3          HB2       ASP   3   6.695   4.508  -3.748
   18   2HB   ASP   3          HB1       ASP   3   8.427   4.615  -4.063
   19    H    GLY   4           HN       GLY   4   8.938   0.517  -2.525
   20   1HA   GLY   4          HA2       GLY   4  11.106  -0.382  -2.809
   21   2HA   GLY   4          HA1       GLY   4  11.366   0.812  -4.084
   22    H    ILE   5           HN       ILE   5  12.784   2.426  -3.631
   23    HA   ILE   5           HA       ILE   5  14.406   2.650  -1.426
   24    HB   ILE   5           HB       ILE   5  14.890   4.093  -3.216
   25   1HG1  ILE   5          HG12      ILE   5  15.059   5.083  -0.800
   26   2HG1  ILE   5          HG11      ILE   5  15.243   6.169  -2.175
   27   1HG2  ILE   5          HG21      ILE   5  13.222   5.883  -3.900
   28   2HG2  ILE   5          HG22      ILE   5  12.044   5.046  -2.888
   29   3HG2  ILE   5          HG23      ILE   5  12.759   4.223  -4.274
   30   1HD1  ILE   5          HD11      ILE   5  13.391   7.335  -1.614
   31   2HD1  ILE   5          HD12      ILE   5  13.436   6.477  -0.074
   32   3HD1  ILE   5          HD13      ILE   5  12.445   5.864  -1.397
   33    H    PHE   6           HN       PHE   6  11.038   3.590  -1.582
   34    HA   PHE   6           HA       PHE   6  11.247   4.659   1.194
   35   1HB   PHE   6          HB2       PHE   6   9.821   5.530  -1.115
   36   2HB   PHE   6          HB1       PHE   6   8.637   5.012   0.087
   37    HD1  PHE   6           HD1      PHE   6   8.839   5.901   2.463
   38    HD2  PHE   6           HD2      PHE   6  11.016   7.544  -0.851
   39    HE1  PHE   6           HE1      PHE   6   9.240   7.979   3.758
   40    HE2  PHE   6           HE2      PHE   6  11.419   9.624   0.440
   41    HZ   PHE   6           HZ       PHE   6  10.531   9.842   2.747
   42    H    THR   7           HN       THR   7  11.389   2.324   1.918
   43    HA   THR   7           HA       THR   7   8.883   1.395   2.878
   44    HB   THR   7           HB       THR   7   8.534   0.798   0.486
   45    HG1  THR   7           HG1      THR   7   7.816  -0.509   2.362
   46   1HG2  THR   7          HG21      THR   7  10.340  -1.464   0.453
   47   2HG2  THR   7          HG22      THR   7  11.232   0.046   0.639
   48   3HG2  THR   7          HG23      THR   7  10.149  -0.175  -0.736
   49    H    ASP   8           HN       ASP   8   9.788  -1.502   2.580
   50    HA   ASP   8           HA       ASP   8  11.799  -1.340   4.748
   51   1HB   ASP   8          HB2       ASP   8   9.823  -2.705   5.203
   52   2HB   ASP   8          HB1       ASP   8  10.125  -3.660   3.750
   53    H    SER   9           HN       SER   9  11.257  -3.339   1.814
   54    HA   SER   9           HA       SER   9  13.632  -4.675   1.572
   55   1HB   SER   9          HB2       SER   9  13.322  -3.510  -0.972
   56   2HB   SER   9          HB1       SER   9  12.726  -5.076  -0.439
   57    HG   SER   9           HG       SER   9  11.369  -2.797  -0.954
   58    H    TYR  10           HN       TYR  10  13.288  -1.428   0.079
   59    HA   TYR  10           HA       TYR  10  15.935  -0.900  -0.477
   60   1HB   TYR  10          HB2       TYR  10  15.083   1.094  -1.008
   61   2HB   TYR  10          HB1       TYR  10  13.568   0.603  -0.275
   62    HD1  TYR  10           HD1      TYR  10  16.689   2.505   0.207
   63    HD2  TYR  10           HD2      TYR  10  12.960   1.327   1.983
   64    HE1  TYR  10           HE1      TYR  10  16.983   4.223   1.970
   65    HE2  TYR  10           HE2      TYR  10  13.253   3.046   3.744
   66    HH   TYR  10           HH       TYR  10  16.168   5.100   3.836
   67    H    SER  11           HN       SER  11  14.351  -0.189   2.644
   68    HA   SER  11           HA       SER  11  16.530   0.815   4.048
   69   1HB   SER  11          HB2       SER  11  14.275   0.620   5.003
   70   2HB   SER  11          HB1       SER  11  14.427  -1.136   5.042
   71    HG   SER  11           HG       SER  11  15.419   0.761   6.745
   72    H    ARG  12           HN       ARG  12  15.883  -2.510   3.120
   73    HA   ARG  12           HA       ARG  12  18.239  -3.482   4.614
   74   1HB   ARG  12          HB2       ARG  12  17.512  -5.679   4.097
   75   2HB   ARG  12          HB1       ARG  12  16.031  -4.777   4.392
   76   1HG   ARG  12          HG2       ARG  12  15.344  -4.944   2.223
   77   2HG   ARG  12          HG1       ARG  12  16.973  -4.796   1.574
   78   1HD   ARG  12          HD2       ARG  12  15.775  -7.258   2.866
   79   2HD   ARG  12          HD1       ARG  12  16.137  -7.046   1.153
   80    HE   ARG  12           HE       ARG  12  18.204  -7.245   3.302
   81   1HH1  ARG  12          HH11      ARG  12  17.498  -9.326   1.099
   82   2HH1  ARG  12          HH12      ARG  12  18.837  -9.094   0.026
   83   1HH2  ARG  12          HH21      ARG  12  19.801  -6.085   1.453
   84   2HH2  ARG  12          HH22      ARG  12  20.141  -7.259   0.226
   85    H    TYR  13           HN       TYR  13  17.330  -2.656   1.339
   86    HA   TYR  13           HA       TYR  13  19.788  -3.832   0.221
   87   1HB   TYR  13          HB2       TYR  13  18.451  -4.003  -1.589
   88   2HB   TYR  13          HB1       TYR  13  17.197  -3.071  -0.789
   89    HD1  TYR  13           HD1      TYR  13  16.401  -1.357  -2.156
   90    HD2  TYR  13           HD2      TYR  13  20.605  -2.242  -2.166
   91    HE1  TYR  13           HE1      TYR  13  16.791   0.503  -3.741
   92    HE2  TYR  13           HE2      TYR  13  20.993  -0.380  -3.753
   93    HH   TYR  13           HH       TYR  13  19.259   0.841  -5.608
   94    H    ARG  14           HN       ARG  14  18.358  -0.618   0.730
   95    HA   ARG  14           HA       ARG  14  20.234   1.073  -0.389
   96   1HB   ARG  14          HB2       ARG  14  18.251   1.815   0.968
   97   2HB   ARG  14          HB1       ARG  14  19.159   1.420   2.430
   98   1HG   ARG  14          HG2       ARG  14  20.991   2.950   1.189
   99   2HG   ARG  14          HG1       ARG  14  19.525   3.669   0.523
  100   1HD   ARG  14          HD2       ARG  14  18.639   3.971   2.812
  101   2HD   ARG  14          HD1       ARG  14  20.121   3.276   3.470
  102    HE   ARG  14           HE       ARG  14  21.333   5.246   2.598
  103   1HH1  ARG  14          HH11      ARG  14  18.678   5.932   4.235
  104   2HH1  ARG  14          HH12      ARG  14  18.218   7.371   3.389
  105   1HH2  ARG  14          HH21      ARG  14  20.410   6.840   0.755
  106   2HH2  ARG  14          HH22      ARG  14  19.199   7.885   1.418
  107    H    LYS  15           HN       LYS  15  20.515  -0.041   3.008
  108    HA   LYS  15           HA       LYS  15  23.088   0.836   3.553
  109   1HB   LYS  15          HB2       LYS  15  21.648  -1.680   4.391
  110   2HB   LYS  15          HB1       LYS  15  23.271  -1.313   4.979
  111   1HG   LYS  15          HG2       LYS  15  22.195  -0.150   6.607
  112   2HG   LYS  15          HG1       LYS  15  21.990   1.084   5.363
  113   1HD   LYS  15          HD2       LYS  15  19.802   0.258   4.793
  114   2HD   LYS  15          HD1       LYS  15  20.017  -1.171   5.805
  115   1HE   LYS  15          HE2       LYS  15  20.248   0.381   7.788
  116   2HE   LYS  15          HE1       LYS  15  19.772   1.705   6.725
  117   1HZ   LYS  15          HZ1       LYS  15  18.162  -0.751   7.159
  118   2HZ   LYS  15          HZ2       LYS  15  17.698   0.634   6.290
  119   3HZ   LYS  15          HZ3       LYS  15  17.905   0.714   7.975
  120    H    GLN  16           HN       GLN  16  22.261  -2.311   2.056
  121    HA   GLN  16           HA       GLN  16  24.765  -3.415   1.695
  122   1HB   GLN  16          HB2       GLN  16  22.460  -3.295  -0.267
  123   2HB   GLN  16          HB1       GLN  16  23.902  -4.269  -0.548
  124   1HG   GLN  16          HG2       GLN  16  21.931  -4.527   1.736
  125   2HG   GLN  16          HG1       GLN  16  22.274  -5.713   0.477
  126   1HE2  GLN  16          HE21      GLN  16  24.848  -6.206   0.399
  127   2HE2  GLN  16          HE22      GLN  16  25.538  -6.521   1.918
  128    H    MET  17           HN       MET  17  23.364  -0.742  -0.172
  129    HA   MET  17           HA       MET  17  25.213  -0.470  -2.232
  130   1HB   MET  17          HB2       MET  17  23.959   1.699  -0.528
  131   2HB   MET  17          HB1       MET  17  24.832   2.012  -2.029
  132   1HG   MET  17          HG2       MET  17  22.566   0.028  -1.957
  133   2HG   MET  17          HG1       MET  17  22.247   1.752  -2.146
  134   1HE   MET  17          HE1       MET  17  24.296  -1.366  -4.098
  135   2HE   MET  17          HE2       MET  17  22.886  -1.218  -5.144
  136   3HE   MET  17          HE3       MET  17  22.671  -1.337  -3.399
  137    H    ALA  18           HN       ALA  18  25.568   1.627   0.624
  138    HA   ALA  18           HA       ALA  18  28.223   2.304   0.334
  139   1HB   ALA  18          HB1       ALA  18  26.619   1.728   2.818
  140   2HB   ALA  18          HB2       ALA  18  27.107   3.292   2.163
  141   3HB   ALA  18          HB3       ALA  18  28.303   2.242   2.925
  142    H    VAL  19           HN       VAL  19  27.126  -0.505   2.235
  143    HA   VAL  19           HA       VAL  19  29.503  -1.699   2.924
  144    HB   VAL  19           HB       VAL  19  26.923  -2.885   1.931
  145   1HG1  VAL  19          HG11      VAL  19  29.462  -4.404   2.587
  146   2HG1  VAL  19          HG12      VAL  19  28.519  -4.488   1.100
  147   3HG1  VAL  19          HG13      VAL  19  27.861  -5.143   2.599
  148   1HG2  VAL  19          HG21      VAL  19  26.709  -3.588   4.220
  149   2HG2  VAL  19          HG22      VAL  19  27.280  -1.920   4.265
  150   3HG2  VAL  19          HG23      VAL  19  28.407  -3.247   4.549
  151    H    LYS  20           HN       LYS  20  27.963  -2.158  -0.297
  152    HA   LYS  20           HA       LYS  20  30.359  -3.468  -1.331
  153   1HB   LYS  20          HB2       LYS  20  28.053  -2.371  -2.950
  154   2HB   LYS  20          HB1       LYS  20  29.145  -3.689  -3.374
  155   1HG   LYS  20          HG2       LYS  20  28.230  -5.095  -1.628
  156   2HG   LYS  20          HG1       LYS  20  27.257  -3.761  -1.005
  157   1HD   LYS  20          HD2       LYS  20  26.976  -4.970  -3.772
  158   2HD   LYS  20          HD1       LYS  20  25.912  -5.309  -2.407
  159   1HE   LYS  20          HE2       LYS  20  24.693  -3.502  -2.960
  160   2HE   LYS  20          HE1       LYS  20  26.090  -2.490  -2.595
  161   1HZ   LYS  20          HZ1       LYS  20  26.000  -1.968  -4.749
  162   2HZ   LYS  20          HZ2       LYS  20  25.021  -3.299  -5.144
  163   3HZ   LYS  20          HZ3       LYS  20  26.705  -3.486  -5.021
  164    HN   LYN  21           HN       LYN  21  31.194  -1.042  -0.351
  165    HA   LYN  21           HA       LYN  21  32.548   0.135  -2.539
  166    HB1  LYN  21           HB1      LYN  21  30.296   0.947  -3.193
  167    HB2  LYN  21           HB2      LYN  21  31.370   2.281  -2.773
  168    HG1  LYN  21           HG1      LYN  21  30.380   2.068  -0.393
  169    HG2  LYN  21           HG2      LYN  21  29.114   1.101  -1.150
  170    HD1  LYN  21           HD1      LYN  21  28.181   3.228  -1.293
  171    HD2  LYN  21           HD2      LYN  21  29.019   3.133  -2.843
  172    HE1  LYN  21           HE1      LYN  21  29.860   5.151  -2.115
  173    HE2  LYN  21           HE2      LYN  21  31.036   4.084  -1.347
  174    HZ1  LYN  21           HZ1      LYN  21  30.359   5.368   0.408
  175    HZ2  LYN  21           HZ2      LYN  21  29.287   4.058   0.551
  176    HZ3  LYN  21           HZ3      LYN  21  28.765   5.514  -0.152
  177    H1   LYN  21           H1       LYN  21  33.406   2.490  -1.764
  178    H2   LYN  21           H2       LYN  21  33.797   2.575  -0.114
  Start of MODEL   22
    1   1H    HIS   1          HT1       HIS   1   5.914   3.223  -0.041
    2   2H    HIS   1          HT2       HIS   1   6.058   3.454   1.636
    3   3H    HIS   1          HT3       HIS   1   4.911   4.340   0.749
    4    HA   HIS   1           HA       HIS   1   4.522   1.937   2.059
    5   1HB   HIS   1          HB2       HIS   1   2.246   2.177   1.172
    6   2HB   HIS   1          HB1       HIS   1   2.868   3.752   1.664
    7    HD1  HIS   1           HD1      HIS   1   0.748   2.888  -0.752
    8    HD2  HIS   1           HD2      HIS   1   4.617   4.400  -1.101
    9    HE1  HIS   1           HE1      HIS   1   0.907   3.923  -3.058
   10    H    SER   2           HN       SER   2   6.013   0.384   1.067
   11    HA   SER   2           HA       SER   2   6.457  -1.420  -0.375
   12   1HB   SER   2          HB2       SER   2   3.623  -0.855  -1.249
   13   2HB   SER   2          HB1       SER   2   4.552  -2.286  -1.684
   14    HG   SER   2           HG       SER   2   3.057  -2.093   0.370
   15    H    ASP   3           HN       ASP   3   7.461   1.000  -1.254
   16    HA   ASP   3           HA       ASP   3   7.047   0.752  -4.200
   17   1HB   ASP   3          HB2       ASP   3   5.801   2.700  -3.214
   18   2HB   ASP   3          HB1       ASP   3   7.350   3.364  -2.719
   19    H    GLY   4           HN       GLY   4   9.123  -0.566  -3.249
   20   1HA   GLY   4          HA2       GLY   4  11.467  -0.709  -3.626
   21   2HA   GLY   4          HA1       GLY   4  11.428   0.949  -4.232
   22    H    ILE   5           HN       ILE   5  12.183   2.546  -2.903
   23    HA   ILE   5           HA       ILE   5  13.714   2.235  -0.666
   24    HB   ILE   5           HB       ILE   5  13.579   4.442  -1.421
   25   1HG1  ILE   5          HG12      ILE   5  11.903   4.291   1.107
   26   2HG1  ILE   5          HG11      ILE   5  13.649   4.517   1.003
   27   1HG2  ILE   5          HG21      ILE   5  10.584   4.095  -1.222
   28   2HG2  ILE   5          HG22      ILE   5  11.550   4.320  -2.681
   29   3HG2  ILE   5          HG23      ILE   5  11.356   5.649  -1.537
   30   1HD1  ILE   5          HD11      ILE   5  12.855   6.586  -0.529
   31   2HD1  ILE   5          HD12      ILE   5  13.056   6.722   1.218
   32   3HD1  ILE   5          HD13      ILE   5  11.451   6.465   0.533
   33    H    PHE   6           HN       PHE   6  10.209   2.090  -0.743
   34    HA   PHE   6           HA       PHE   6  10.234   1.498   2.184
   35   1HB   PHE   6          HB2       PHE   6   8.372   2.885   0.399
   36   2HB   PHE   6          HB1       PHE   6   7.579   1.688   1.423
   37    HD1  PHE   6           HD1      PHE   6   8.294   1.690   3.954
   38    HD2  PHE   6           HD2      PHE   6   8.882   4.987   1.265
   39    HE1  PHE   6           HE1      PHE   6   8.497   3.233   5.887
   40    HE2  PHE   6           HE2      PHE   6   9.083   6.531   3.196
   41    HZ   PHE   6           HZ       PHE   6   8.890   5.652   5.509
   42    H    THR   7           HN       THR   7  11.110  -0.695   1.503
   43    HA   THR   7           HA       THR   7   9.029  -2.647   1.516
   44    HB   THR   7           HB       THR   7   8.829  -1.900  -0.867
   45    HG1  THR   7           HG1      THR   7   8.431  -4.089  -0.137
   46   1HG2  THR   7          HG21      THR   7  11.647  -1.982  -0.739
   47   2HG2  THR   7          HG22      THR   7  10.652  -1.612  -2.147
   48   3HG2  THR   7          HG23      THR   7  11.170  -3.270  -1.845
   49    H    ASP   8           HN       ASP   8  10.813  -4.516  -0.138
   50    HA   ASP   8           HA       ASP   8  12.727  -4.997   2.073
   51   1HB   ASP   8          HB2       ASP   8  11.349  -6.904   1.479
   52   2HB   ASP   8          HB1       ASP   8  11.809  -6.753  -0.218
   53    H    SER   9           HN       SER   9  12.780  -5.195  -1.509
   54    HA   SER   9           HA       SER   9  15.437  -5.411  -2.070
   55   1HB   SER   9          HB2       SER   9  14.851  -3.340  -3.751
   56   2HB   SER   9          HB1       SER   9  14.404  -5.015  -4.048
   57    HG   SER   9           HG       SER   9  12.843  -2.867  -3.473
   58    H    TYR  10           HN       TYR  10  13.994  -2.160  -1.588
   59    HA   TYR  10           HA       TYR  10  16.346  -0.684  -1.440
   60   1HB   TYR  10          HB2       TYR  10  14.877   0.957  -1.048
   61   2HB   TYR  10          HB1       TYR  10  13.620  -0.257  -0.925
   62    HD1  TYR  10           HD1      TYR  10  15.611   2.178   0.868
   63    HD2  TYR  10           HD2      TYR  10  13.115  -1.285   1.347
   64    HE1  TYR  10           HE1      TYR  10  15.312   2.723   3.268
   65    HE2  TYR  10           HE2      TYR  10  12.816  -0.739   3.745
   66    HH   TYR  10           HH       TYR  10  14.331   2.160   5.172
   67    H    SER  11           HN       SER  11  14.725  -2.367   1.255
   68    HA   SER  11           HA       SER  11  16.487  -1.559   3.302
   69   1HB   SER  11          HB2       SER  11  14.447  -2.817   3.754
   70   2HB   SER  11          HB1       SER  11  15.083  -4.220   2.901
   71    HG   SER  11           HG       SER  11  15.369  -4.365   5.179
   72    H    ARG  12           HN       ARG  12  16.878  -3.943   0.765
   73    HA   ARG  12           HA       ARG  12  19.441  -4.873   1.901
   74   1HB   ARG  12          HB2       ARG  12  19.428  -6.564   0.237
   75   2HB   ARG  12          HB1       ARG  12  17.747  -6.403   0.732
   76   1HG   ARG  12          HG2       ARG  12  17.097  -5.533  -1.284
   77   2HG   ARG  12          HG1       ARG  12  18.619  -4.691  -1.545
   78   1HD   ARG  12          HD2       ARG  12  18.099  -6.733  -3.047
   79   2HD   ARG  12          HD1       ARG  12  19.703  -6.633  -2.320
   80    HE   ARG  12           HE       ARG  12  18.597  -8.144  -0.473
   81   1HH1  ARG  12          HH11      ARG  12  16.079  -8.462  -2.114
   82   2HH1  ARG  12          HH12      ARG  12  16.380  -9.960  -2.928
   83   1HH2  ARG  12          HH21      ARG  12  19.784  -9.939  -2.269
   84   2HH2  ARG  12          HH22      ARG  12  18.478 -10.797  -3.016
   85    H    TYR  13           HN       TYR  13  18.265  -2.730  -0.612
   86    HA   TYR  13           HA       TYR  13  20.990  -2.382  -1.703
   87   1HB   TYR  13          HB2       TYR  13  19.875  -1.931  -3.616
   88   2HB   TYR  13          HB1       TYR  13  18.357  -2.174  -2.771
   89    HD1  TYR  13           HD1      TYR  13  20.989   0.532  -2.803
   90    HD2  TYR  13           HD2      TYR  13  16.826  -0.471  -3.169
   91    HE1  TYR  13           HE1      TYR  13  20.440   2.926  -3.127
   92    HE2  TYR  13           HE2      TYR  13  16.280   1.925  -3.478
   93    HH   TYR  13           HH       TYR  13  18.669   4.291  -4.094
   94    H    ARG  14           HN       ARG  14  18.405  -0.314  -0.382
   95    HA   ARG  14           HA       ARG  14  19.670   2.106  -0.045
   96   1HB   ARG  14          HB2       ARG  14  17.367   1.581   0.786
   97   2HB   ARG  14          HB1       ARG  14  18.086   0.722   2.150
   98   1HG   ARG  14          HG2       ARG  14  19.365   3.235   2.049
   99   2HG   ARG  14          HG1       ARG  14  17.643   3.551   1.835
  100   1HD   ARG  14          HD2       ARG  14  17.098   2.767   3.926
  101   2HD   ARG  14          HD1       ARG  14  18.403   1.582   3.936
  102    HE   ARG  14           HE       ARG  14  19.763   3.200   4.973
  103   1HH1  ARG  14          HH21      ARG  14  17.002   4.530   5.581
  104   2HH1  ARG  14          HH22      ARG  14  17.373   6.173   5.180
  105   1HH2  ARG  14          HH11      ARG  14  20.296   5.380   3.492
  106   2HH2  ARG  14          HH12      ARG  14  19.238   6.655   3.997
  107    H    LYS  15           HN       LYS  15  19.827  -0.471   2.437
  108    HA   LYS  15           HA       LYS  15  21.724   0.649   4.135
  109   1HB   LYS  15          HB2       LYS  15  21.643  -2.263   3.287
  110   2HB   LYS  15          HB1       LYS  15  22.343  -1.630   4.776
  111   1HG   LYS  15          HG2       LYS  15  19.423  -1.368   3.997
  112   2HG   LYS  15          HG1       LYS  15  20.058  -2.567   5.123
  113   1HD   LYS  15          HD2       LYS  15  20.985   0.098   5.809
  114   2HD   LYS  15          HD1       LYS  15  19.223   0.034   5.751
  115   1HE   LYS  15          HE2       LYS  15  19.173  -1.823   7.299
  116   2HE   LYS  15          HE1       LYS  15  20.929  -1.975   7.244
  117   1HZ   LYS  15          HZ1       LYS  15  19.925   0.646   7.965
  118   2HZ   LYS  15          HZ2       LYS  15  21.213  -0.246   8.622
  119   3HZ   LYS  15          HZ3       LYS  15  19.616  -0.579   9.097
  120    H    GLN  16           HN       GLN  16  22.439  -1.407   1.291
  121    HA   GLN  16           HA       GLN  16  25.202  -1.426   1.327
  122   1HB   GLN  16          HB2       GLN  16  23.349  -1.018  -1.036
  123   2HB   GLN  16          HB1       GLN  16  25.083  -1.285  -1.214
  124   1HG   GLN  16          HG2       GLN  16  23.049  -3.163   0.014
  125   2HG   GLN  16          HG1       GLN  16  24.032  -3.435  -1.425
  126   1HE2  GLN  16          HE21      GLN  16  26.576  -2.980  -0.788
  127   2HE2  GLN  16          HE22      GLN  16  27.079  -3.832   0.591
  128    H    MET  17           HN       MET  17  23.127   1.278   0.339
  129    HA   MET  17           HA       MET  17  24.933   3.058  -0.758
  130   1HB   MET  17          HB2       MET  17  22.797   3.657   1.307
  131   2HB   MET  17          HB1       MET  17  23.608   4.882   0.331
  132   1HG   MET  17          HG2       MET  17  22.485   2.600  -1.184
  133   2HG   MET  17          HG1       MET  17  21.297   3.652  -0.416
  134   1HE   MET  17          HE1       MET  17  22.329   2.708  -3.195
  135   2HE   MET  17          HE2       MET  17  23.820   3.523  -3.659
  136   3HE   MET  17          HE3       MET  17  22.285   4.056  -4.340
  137    H    ALA  18           HN       ALA  18  24.179   3.346   2.720
  138    HA   ALA  18           HA       ALA  18  26.337   4.862   3.513
  139   1HB   ALA  18          HB1       ALA  18  26.218   3.661   5.718
  140   2HB   ALA  18          HB2       ALA  18  25.122   2.501   4.967
  141   3HB   ALA  18          HB3       ALA  18  24.647   4.193   5.116
  142    H    VAL  19           HN       VAL  19  26.365   1.297   3.550
  143    HA   VAL  19           HA       VAL  19  28.973   0.752   4.215
  144    HB   VAL  19           HB       VAL  19  27.163  -0.495   2.162
  145   1HG1  VAL  19          HG11      VAL  19  28.903  -2.326   1.934
  146   2HG1  VAL  19          HG12      VAL  19  30.062  -1.219   2.669
  147   3HG1  VAL  19          HG13      VAL  19  29.314  -0.815   1.124
  148   1HG2  VAL  19          HG21      VAL  19  26.601  -1.219   4.309
  149   2HG2  VAL  19          HG22      VAL  19  28.268  -1.143   4.880
  150   3HG2  VAL  19          HG23      VAL  19  27.757  -2.462   3.828
  151    H    LYS  20           HN       LYS  20  27.968   1.532   0.845
  152    HA   LYS  20           HA       LYS  20  30.784   1.923   0.098
  153   1HB   LYS  20          HB2       LYS  20  28.384   2.579  -1.612
  154   2HB   LYS  20          HB1       LYS  20  30.005   2.115  -2.132
  155   1HG   LYS  20          HG2       LYS  20  29.694  -0.141  -1.464
  156   2HG   LYS  20          HG1       LYS  20  28.268   0.257  -0.504
  157   1HD   LYS  20          HD2       LYS  20  28.422   0.569  -3.515
  158   2HD   LYS  20          HD1       LYS  20  27.722  -0.832  -2.702
  159   1HE   LYS  20          HE2       LYS  20  26.322   0.986  -1.409
  160   2HE   LYS  20          HE1       LYS  20  26.720   1.996  -2.799
  161   1HZ   LYS  20          HZ1       LYS  20  24.655   0.284  -2.701
  162   2HZ   LYS  20          HZ2       LYS  20  25.835  -0.670  -3.465
  163   3HZ   LYS  20          HZ3       LYS  20  25.384   0.825  -4.134
  164    HN   LYN  21           HN       LYN  21  30.697   4.084  -1.603
  165    HA   LYN  21           HA       LYN  21  29.587   6.370  -0.082
  166    HB1  LYN  21           HB1      LYN  21  31.695   7.489   0.158
  167    HB2  LYN  21           HB2      LYN  21  32.520   6.281  -0.828
  168    HG1  LYN  21           HG1      LYN  21  33.019   5.803   1.488
  169    HG2  LYN  21           HG2      LYN  21  31.900   4.564   0.918
  170    HD1  LYN  21           HD1      LYN  21  30.908   5.180   2.938
  171    HD2  LYN  21           HD2      LYN  21  30.066   6.239   1.807
  172    HE1  LYN  21           HE1      LYN  21  30.977   7.367   3.907
  173    HE2  LYN  21           HE2      LYN  21  31.463   8.101   2.379
  174    HZ1  LYN  21           HZ1      LYN  21  33.168   5.991   3.454
  175    HZ2  LYN  21           HZ2      LYN  21  33.196   7.489   4.255
  176    HZ3  LYN  21           HZ3      LYN  21  33.589   7.397   2.605
  177    H1   LYN  21           H1       LYN  21  30.469   8.498  -1.464
  178    H2   LYN  21           H2       LYN  21  30.234   8.330  -3.137
  Start of MODEL   23
    1   1H    HIS   1          HT1       HIS   1   2.278   3.646   2.420
    2   2H    HIS   1          HT2       HIS   1   1.273   2.379   1.898
    3   3H    HIS   1          HT3       HIS   1   0.662   3.960   2.014
    4    HA   HIS   1           HA       HIS   1   1.093   3.381  -0.290
    5   1HB   HIS   1          HB2       HIS   1   1.424   5.729   0.586
    6   2HB   HIS   1          HB1       HIS   1   3.142   5.363   0.742
    7    HD1  HIS   1           HD1      HIS   1   3.431   7.301  -1.123
    8    HD2  HIS   1           HD2      HIS   1   1.586   3.794  -2.417
    9    HE1  HIS   1           HE1      HIS   1   3.515   7.340  -3.654
   10    H    SER   2           HN       SER   2   4.316   3.966   1.129
   11    HA   SER   2           HA       SER   2   6.350   2.874   0.759
   12   1HB   SER   2          HB2       SER   2   4.781   0.398   0.067
   13   2HB   SER   2          HB1       SER   2   6.335   0.523   0.887
   14    HG   SER   2           HG       SER   2   4.780   0.129   2.428
   15    H    ASP   3           HN       ASP   3   7.725   2.134  -1.030
   16    HA   ASP   3           HA       ASP   3   6.749   1.370  -3.598
   17   1HB   ASP   3          HB2       ASP   3   5.874   3.807  -3.306
   18   2HB   ASP   3          HB1       ASP   3   7.549   4.270  -3.604
   19    H    GLY   4           HN       GLY   4   8.809   0.103  -2.902
   20   1HA   GLY   4          HA2       GLY   4  11.084  -0.325  -3.373
   21   2HA   GLY   4          HA1       GLY   4  11.100   1.151  -4.344
   22    H    ILE   5           HN       ILE   5  12.225   2.848  -3.526
   23    HA   ILE   5           HA       ILE   5  13.876   2.857  -1.337
   24    HB   ILE   5           HB       ILE   5  14.004   4.747  -2.739
   25   1HG1  ILE   5          HG12      ILE   5  12.693   5.607  -0.138
   26   2HG1  ILE   5          HG11      ILE   5  14.421   5.408  -0.432
   27   1HG2  ILE   5          HG21      ILE   5  11.048   5.012  -2.185
   28   2HG2  ILE   5          HG22      ILE   5  11.845   4.740  -3.735
   29   3HG2  ILE   5          HG23      ILE   5  11.988   6.304  -2.933
   30   1HD1  ILE   5          HD11      ILE   5  14.156   7.714  -0.697
   31   2HD1  ILE   5          HD12      ILE   5  12.565   7.546  -1.440
   32   3HD1  ILE   5          HD13      ILE   5  14.015   7.142  -2.359
   33    H    PHE   6           HN       PHE   6  10.388   3.186  -1.249
   34    HA   PHE   6           HA       PHE   6  10.557   3.574   1.706
   35   1HB   PHE   6          HB2       PHE   6   8.705   4.507  -0.378
   36   2HB   PHE   6          HB1       PHE   6   7.902   3.855   1.052
   37    HD1  PHE   6           HD1      PHE   6   9.969   6.542  -0.283
   38    HD2  PHE   6           HD2      PHE   6   8.386   4.789   3.302
   39    HE1  PHE   6           HE1      PHE   6  10.495   8.623   0.963
   40    HE2  PHE   6           HE2      PHE   6   8.910   6.869   4.552
   41    HZ   PHE   6           HZ       PHE   6   9.965   8.786   3.382
   42    H    THR   7           HN       THR   7  11.103   1.180   1.795
   43    HA   THR   7           HA       THR   7   8.811  -0.340   2.518
   44    HB   THR   7           HB       THR   7   8.455  -0.399   0.058
   45    HG1  THR   7           HG1      THR   7   7.983  -2.201   1.513
   46   1HG2  THR   7          HG21      THR   7  10.544  -2.258  -0.598
   47   2HG2  THR   7          HG22      THR   7  11.258  -0.774   0.035
   48   3HG2  THR   7          HG23      THR   7  10.170  -0.708  -1.352
   49    H    ASP   8           HN       ASP   8  10.236  -2.874   1.448
   50    HA   ASP   8           HA       ASP   8  12.220  -2.908   3.651
   51   1HB   ASP   8          HB2       ASP   8  10.461  -4.660   3.628
   52   2HB   ASP   8          HB1       ASP   8  11.059  -5.212   2.063
   53    H    SER   9           HN       SER   9  12.000  -4.284   0.339
   54    HA   SER   9           HA       SER   9  14.585  -5.023  -0.138
   55   1HB   SER   9          HB2       SER   9  14.207  -3.732  -2.456
   56   2HB   SER   9          HB1       SER   9  13.402  -5.246  -2.069
   57    HG   SER   9           HG       SER   9  12.100  -3.310  -2.790
   58    H    TYR  10           HN       TYR  10  13.553  -1.658  -0.875
   59    HA   TYR  10           HA       TYR  10  16.042  -0.530  -1.295
   60   1HB   TYR  10          HB2       TYR  10  14.800   1.338  -1.384
   61   2HB   TYR  10          HB1       TYR  10  13.435   0.414  -0.785
   62    HD1  TYR  10           HD1      TYR  10  12.819   0.459   1.592
   63    HD2  TYR  10           HD2      TYR  10  16.124   2.768   0.106
   64    HE1  TYR  10           HE1      TYR  10  12.849   1.765   3.696
   65    HE2  TYR  10           HE2      TYR  10  16.152   4.075   2.212
   66    HH   TYR  10           HH       TYR  10  14.549   3.115   4.996
   67    H    SER  11           HN       SER  11  14.444  -0.880   1.877
   68    HA   SER  11           HA       SER  11  16.433   0.190   3.515
   69   1HB   SER  11          HB2       SER  11  14.277  -0.612   4.371
   70   2HB   SER  11          HB1       SER  11  14.733  -2.276   4.008
   71    HG   SER  11           HG       SER  11  15.085  -1.517   6.235
   72    H    ARG  12           HN       ARG  12  16.183  -3.189   2.377
   73    HA   ARG  12           HA       ARG  12  18.809  -3.890   3.415
   74   1HB   ARG  12          HB2       ARG  12  18.442  -6.029   2.424
   75   2HB   ARG  12          HB1       ARG  12  16.848  -5.496   2.949
   76   1HG   ARG  12          HG2       ARG  12  16.167  -4.980   0.761
   77   2HG   ARG  12          HG1       ARG  12  17.817  -4.941   0.146
   78   1HD   ARG  12          HD2       ARG  12  16.407  -7.024  -0.411
   79   2HD   ARG  12          HD1       ARG  12  18.025  -7.298   0.236
   80    HE   ARG  12           HE       ARG  12  15.657  -7.335   2.054
   81   1HH1  ARG  12          HH11      ARG  12  18.856  -8.024   2.073
   82   2HH1  ARG  12          HH12      ARG  12  18.716  -9.695   2.508
   83   1HH2  ARG  12          HH21      ARG  12  15.288  -9.815   1.999
   84   2HH2  ARG  12          HH22      ARG  12  16.696 -10.708   2.466
   85    H    TYR  13           HN       TYR  13  17.557  -2.444   0.547
   86    HA   TYR  13           HA       TYR  13  20.008  -2.954  -1.011
   87   1HB   TYR  13          HB2       TYR  13  18.431  -2.896  -2.636
   88   2HB   TYR  13          HB1       TYR  13  17.249  -2.171  -1.556
   89    HD1  TYR  13           HD1      TYR  13  17.636   0.403  -1.026
   90    HD2  TYR  13           HD2      TYR  13  19.219  -1.662  -4.443
   91    HE1  TYR  13           HE1      TYR  13  17.891   2.563  -2.212
   92    HE2  TYR  13           HE2      TYR  13  19.477   0.498  -5.629
   93    HH   TYR  13           HH       TYR  13  18.756   3.580  -4.014
   94    H    ARG  14           HN       ARG  14  19.190  -0.873   1.413
   95    HA   ARG  14           HA       ARG  14  20.537   1.495   0.245
   96   1HB   ARG  14          HB2       ARG  14  18.417   1.446   1.844
   97   2HB   ARG  14          HB1       ARG  14  19.651   1.375   3.104
   98   1HG   ARG  14          HG2       ARG  14  20.728   3.348   1.696
   99   2HG   ARG  14          HG1       ARG  14  19.067   3.561   1.143
  100   1HD   ARG  14          HD2       ARG  14  18.765   4.770   3.033
  101   2HD   ARG  14          HD1       ARG  14  18.759   3.218   3.870
  102    HE   ARG  14           HE       ARG  14  21.450   3.872   3.679
  103   1HH1  ARG  14          HH21      ARG  14  18.634   4.730   5.388
  104   2HH1  ARG  14          HH22      ARG  14  19.415   5.909   6.388
  105   1HH2  ARG  14          HH11      ARG  14  22.458   5.680   4.742
  106   2HH2  ARG  14          HH12      ARG  14  21.580   6.447   6.022
  107    H    LYS  15           HN       LYS  15  20.829  -0.127   3.429
  108    HA   LYS  15           HA       LYS  15  23.335   0.740   4.170
  109   1HB   LYS  15          HB2       LYS  15  22.025  -1.957   4.495
  110   2HB   LYS  15          HB1       LYS  15  23.630  -1.644   5.157
  111   1HG   LYS  15          HG2       LYS  15  22.335  -1.003   6.963
  112   2HG   LYS  15          HG1       LYS  15  22.428   0.535   6.103
  113   1HD   LYS  15          HD2       LYS  15  20.242   0.419   5.371
  114   2HD   LYS  15          HD1       LYS  15  20.233  -1.345   5.347
  115   1HE   LYS  15          HE2       LYS  15  20.428   0.175   7.945
  116   2HE   LYS  15          HE1       LYS  15  18.865  -0.165   7.202
  117   1HZ   LYS  15          HZ1       LYS  15  20.835  -2.027   8.326
  118   2HZ   LYS  15          HZ2       LYS  15  19.838  -2.559   7.057
  119   3HZ   LYS  15          HZ3       LYS  15  19.148  -2.004   8.507
  120    H    GLN  16           HN       GLN  16  22.698  -2.060   2.038
  121    HA   GLN  16           HA       GLN  16  25.274  -2.951   1.543
  122   1HB   GLN  16          HB2       GLN  16  22.997  -2.558  -0.417
  123   2HB   GLN  16          HB1       GLN  16  24.493  -3.391  -0.840
  124   1HG   GLN  16          HG2       GLN  16  22.483  -4.184   1.282
  125   2HG   GLN  16          HG1       GLN  16  22.931  -5.087  -0.166
  126   1HE2  GLN  16          HE21      GLN  16  25.469  -5.540  -0.247
  127   2HE2  GLN  16          HE22      GLN  16  26.156  -6.058   1.217
  128    H    MET  17           HN       MET  17  23.742  -0.031   0.260
  129    HA   MET  17           HA       MET  17  25.470   0.813  -1.706
  130   1HB   MET  17          HB2       MET  17  24.361   2.468   0.576
  131   2HB   MET  17          HB1       MET  17  25.094   3.150  -0.876
  132   1HG   MET  17          HG2       MET  17  23.269   1.311  -1.880
  133   2HG   MET  17          HG1       MET  17  22.423   2.020  -0.504
  134   1HE   MET  17          HE1       MET  17  20.694   2.733  -2.236
  135   2HE   MET  17          HE2       MET  17  21.613   2.297  -3.675
  136   3HE   MET  17          HE3       MET  17  20.936   3.917  -3.528
  137    H    ALA  18           HN       ALA  18  26.019   1.942   1.640
  138    HA   ALA  18           HA       ALA  18  28.587   2.879   1.413
  139   1HB   ALA  18          HB1       ALA  18  27.596   3.048   3.551
  140   2HB   ALA  18          HB2       ALA  18  28.944   1.936   3.790
  141   3HB   ALA  18          HB3       ALA  18  27.301   1.311   3.641
  142    H    VAL  19           HN       VAL  19  27.833  -0.519   2.179
  143    HA   VAL  19           HA       VAL  19  30.364  -1.621   2.235
  144    HB   VAL  19           HB       VAL  19  27.772  -2.654   1.115
  145   1HG1  VAL  19          HG11      VAL  19  29.007  -4.909   0.930
  146   2HG1  VAL  19          HG12      VAL  19  30.489  -3.954   0.874
  147   3HG1  VAL  19          HG13      VAL  19  29.261  -3.750  -0.375
  148   1HG2  VAL  19          HG21      VAL  19  28.154  -4.312   2.973
  149   2HG2  VAL  19          HG22      VAL  19  28.049  -2.642   3.531
  150   3HG2  VAL  19          HG23      VAL  19  29.621  -3.429   3.394
  151    H    LYS  20           HN       LYS  20  28.507  -1.165  -0.824
  152    HA   LYS  20           HA       LYS  20  30.733  -1.874  -2.493
  153   1HB   LYS  20          HB2       LYS  20  28.360  -0.138  -3.222
  154   2HB   LYS  20          HB1       LYS  20  29.387  -1.044  -4.333
  155   1HG   LYS  20          HG2       LYS  20  28.669  -3.157  -3.252
  156   2HG   LYS  20          HG1       LYS  20  27.606  -2.237  -2.187
  157   1HD   LYS  20          HD2       LYS  20  27.390  -1.905  -5.168
  158   2HD   LYS  20          HD1       LYS  20  26.618  -3.281  -4.378
  159   1HE   LYS  20          HE2       LYS  20  25.083  -1.968  -3.280
  160   2HE   LYS  20          HE1       LYS  20  26.191  -0.603  -3.144
  161   1HZ   LYS  20          HZ1       LYS  20  25.182  -1.435  -5.783
  162   2HZ   LYS  20          HZ2       LYS  20  25.748   0.087  -5.282
  163   3HZ   LYS  20          HZ3       LYS  20  24.222  -0.463  -4.777
  164    HN   LYN  21           HN       LYN  21  30.260   0.830  -0.585
  165    HA   LYN  21           HA       LYN  21  32.317   2.312  -2.147
  166    HB1  LYN  21           HB1      LYN  21  30.062   3.289  -2.623
  167    HB2  LYN  21           HB2      LYN  21  31.145   4.422  -1.813
  168    HG1  LYN  21           HG1      LYN  21  30.073   3.494   0.380
  169    HG2  LYN  21           HG2      LYN  21  28.790   2.919  -0.685
  170    HD1  LYN  21           HD1      LYN  21  27.907   4.995  -0.446
  171    HD2  LYN  21           HD2      LYN  21  29.179   5.516  -1.551
  172    HE1  LYN  21           HE1      LYN  21  30.479   5.409   0.896
  173    HE2  LYN  21           HE2      LYN  21  28.880   6.018   1.322
  174    HZ1  LYN  21           HZ1      LYN  21  30.565   7.737   0.667
  175    HZ2  LYN  21           HZ2      LYN  21  29.095   7.797  -0.183
  176    HZ3  LYN  21           HZ3      LYN  21  30.475   7.127  -0.913
  177    H1   LYN  21           H1       LYN  21  32.464   0.661   0.342
  178    H2   LYN  21           H2       LYN  21  33.006   1.711   1.561
  Start of MODEL   24
    1   1H    HIS   1          HT1       HIS   1   1.222   3.468   2.375
    2   2H    HIS   1          HT2       HIS   1   2.911   3.361   2.527
    3   3H    HIS   1          HT3       HIS   1   2.001   1.981   2.134
    4    HA   HIS   1           HA       HIS   1   1.396   2.912   0.013
    5   1HB   HIS   1          HB2       HIS   1   1.453   5.293   0.914
    6   2HB   HIS   1          HB1       HIS   1   3.206   5.229   0.736
    7    HD1  HIS   1           HD1      HIS   1   2.394   7.268  -1.043
    8    HD2  HIS   1           HD2      HIS   1   1.776   3.302  -2.170
    9    HE1  HIS   1           HE1      HIS   1   2.094   7.276  -3.558
   10    H    SER   2           HN       SER   2   4.638   4.043   1.016
   11    HA   SER   2           HA       SER   2   6.764   3.293   0.366
   12   1HB   SER   2          HB2       SER   2   5.138   0.758   0.255
   13   2HB   SER   2          HB1       SER   2   6.834   0.769  -0.218
   14    HG   SER   2           HG       SER   2   6.159   0.372   2.115
   15    H    ASP   3           HN       ASP   3   7.967   2.428  -1.604
   16    HA   ASP   3           HA       ASP   3   6.597   1.963  -4.086
   17   1HB   ASP   3          HB2       ASP   3   6.153   4.475  -3.448
   18   2HB   ASP   3          HB1       ASP   3   7.796   4.707  -4.041
   19    H    GLY   4           HN       GLY   4   8.544   0.397  -3.706
   20   1HA   GLY   4          HA2       GLY   4  10.632  -0.278  -4.595
   21   2HA   GLY   4          HA1       GLY   4  10.776   1.311  -5.351
   22    H    ILE   5           HN       ILE   5  12.233   2.704  -4.456
   23    HA   ILE   5           HA       ILE   5  13.946   1.939  -2.347
   24    HB   ILE   5           HB       ILE   5  14.564   3.690  -3.902
   25   1HG1  ILE   5          HG12      ILE   5  15.280   3.688  -1.365
   26   2HG1  ILE   5          HG11      ILE   5  15.695   5.059  -2.389
   27   1HG2  ILE   5          HG21      ILE   5  12.595   4.803  -4.464
   28   2HG2  ILE   5          HG22      ILE   5  13.411   5.993  -3.450
   29   3HG2  ILE   5          HG23      ILE   5  12.111   5.007  -2.781
   30   1HD1  ILE   5          HD11      ILE   5  14.368   6.471  -1.214
   31   2HD1  ILE   5          HD12      ILE   5  14.348   5.215   0.024
   32   3HD1  ILE   5          HD13      ILE   5  13.041   5.312  -1.156
   33    H    PHE   6           HN       PHE   6  10.682   2.966  -2.068
   34    HA   PHE   6           HA       PHE   6  11.141   3.756   0.773
   35   1HB   PHE   6          HB2       PHE   6   9.598   4.958  -1.215
   36   2HB   PHE   6          HB1       PHE   6   8.421   4.085  -0.231
   37    HD1  PHE   6           HD1      PHE   6   9.117   4.199   2.435
   38    HD2  PHE   6           HD2      PHE   6   9.951   7.154  -0.567
   39    HE1  PHE   6           HE1      PHE   6   9.300   5.938   4.197
   40    HE2  PHE   6           HE2      PHE   6  10.133   8.894   1.193
   41    HZ   PHE   6           HZ       PHE   6   9.808   8.285   3.576
   42    H    THR   7           HN       THR   7  11.403   1.382   1.262
   43    HA   THR   7           HA       THR   7   8.990   0.234   2.261
   44    HB   THR   7           HB       THR   7   8.431  -0.175  -0.066
   45    HG1  THR   7           HG1      THR   7   8.080  -1.880   1.459
   46   1HG2  THR   7          HG21      THR   7  11.194  -0.326  -0.380
   47   2HG2  THR   7          HG22      THR   7   9.986  -0.615  -1.633
   48   3HG2  THR   7          HG23      THR   7  10.633  -1.967  -0.703
   49    H    ASP   8           HN       ASP   8   9.990  -2.559   1.603
   50    HA   ASP   8           HA       ASP   8  12.053  -2.607   3.709
   51   1HB   ASP   8          HB2       ASP   8  10.323  -4.240   4.007
   52   2HB   ASP   8          HB1       ASP   8  10.452  -4.774   2.330
   53    H    SER   9           HN       SER   9  11.646  -3.898   0.389
   54    HA   SER   9           HA       SER   9  14.099  -5.024  -0.109
   55   1HB   SER   9          HB2       SER   9  13.833  -3.437  -2.346
   56   2HB   SER   9          HB1       SER   9  13.074  -5.006  -2.118
   57    HG   SER   9           HG       SER   9  11.906  -2.654  -2.380
   58    H    TYR  10           HN       TYR  10  13.574  -1.552  -0.833
   59    HA   TYR  10           HA       TYR  10  16.220  -0.776  -1.132
   60   1HB   TYR  10          HB2       TYR  10  15.294   1.267  -1.300
   61   2HB   TYR  10          HB1       TYR  10  13.756   0.502  -0.932
   62    HD1  TYR  10           HD1      TYR  10  16.318   2.777   0.212
   63    HD2  TYR  10           HD2      TYR  10  13.009   0.362   1.498
   64    HE1  TYR  10           HE1      TYR  10  16.174   4.094   2.306
   65    HE2  TYR  10           HE2      TYR  10  12.864   1.678   3.594
   66    HH   TYR  10           HH       TYR  10  15.202   3.499   4.786
   67    H    SER  11           HN       SER  11  14.419  -1.021   1.924
   68    HA   SER  11           HA       SER  11  16.441  -0.042   3.632
   69   1HB   SER  11          HB2       SER  11  14.240  -0.495   4.485
   70   2HB   SER  11          HB1       SER  11  14.344  -2.191   4.039
   71    HG   SER  11           HG       SER  11  14.985  -1.156   6.327
   72    H    ARG  12           HN       ARG  12  16.045  -3.170   2.098
   73    HA   ARG  12           HA       ARG  12  18.373  -4.295   3.513
   74   1HB   ARG  12          HB2       ARG  12  17.811  -6.372   2.510
   75   2HB   ARG  12          HB1       ARG  12  16.265  -5.619   2.884
   76   1HG   ARG  12          HG2       ARG  12  15.729  -5.311   0.680
   77   2HG   ARG  12          HG1       ARG  12  17.397  -5.051   0.186
   78   1HD   ARG  12          HD2       ARG  12  16.274  -7.736   1.015
   79   2HD   ARG  12          HD1       ARG  12  16.442  -7.205  -0.659
   80    HE   ARG  12           HE       ARG  12  18.981  -6.871   0.288
   81   1HH1  ARG  12          HH21      ARG  12  17.112  -9.394  -0.808
   82   2HH1  ARG  12          HH22      ARG  12  18.104 -10.660  -0.165
   83   1HH2  ARG  12          HH11      ARG  12  20.096  -8.517   1.695
   84   2HH2  ARG  12          HH12      ARG  12  19.794 -10.163   1.252
   85    H    TYR  13           HN       TYR  13  17.606  -2.861   0.412
   86    HA   TYR  13           HA       TYR  13  20.252  -3.615  -0.680
   87   1HB   TYR  13          HB2       TYR  13  19.093  -3.629  -2.621
   88   2HB   TYR  13          HB1       TYR  13  17.663  -3.034  -1.795
   89    HD1  TYR  13           HD1      TYR  13  20.995  -1.568  -2.767
   90    HD2  TYR  13           HD2      TYR  13  16.716  -1.185  -2.840
   91    HE1  TYR  13           HE1      TYR  13  21.209   0.586  -3.975
   92    HE2  TYR  13           HE2      TYR  13  16.932   0.973  -4.038
   93    HH   TYR  13           HH       TYR  13  19.956   2.590  -4.388
   94    H    ARG  14           HN       ARG  14  18.337  -0.640  -0.255
   95    HA   ARG  14           HA       ARG  14  20.170   1.353  -0.724
   96   1HB   ARG  14          HB2       ARG  14  17.854   1.728   0.159
   97   2HB   ARG  14          HB1       ARG  14  18.419   1.244   1.759
   98   1HG   ARG  14          HG2       ARG  14  20.258   3.173   0.833
   99   2HG   ARG  14          HG1       ARG  14  18.654   3.806   0.466
  100   1HD   ARG  14          HD2       ARG  14  18.229   4.208   2.642
  101   2HD   ARG  14          HD1       ARG  14  18.723   2.578   3.099
  102    HE   ARG  14           HE       ARG  14  20.856   3.435   3.658
  103   1HH1  ARG  14          HH21      ARG  14  20.531   5.047   0.884
  104   2HH1  ARG  14          HH22      ARG  14  20.980   6.617   1.462
  105   1HH2  ARG  14          HH11      ARG  14  20.788   5.730   4.809
  106   2HH2  ARG  14          HH12      ARG  14  21.125   7.003   3.685
  107    H    LYS  15           HN       LYS  15  19.825  -0.178   2.498
  108    HA   LYS  15           HA       LYS  15  22.024   0.944   3.776
  109   1HB   LYS  15          HB2       LYS  15  21.181  -1.968   3.947
  110   2HB   LYS  15          HB1       LYS  15  22.125  -1.090   5.151
  111   1HG   LYS  15          HG2       LYS  15  19.333  -0.286   4.284
  112   2HG   LYS  15          HG1       LYS  15  19.678  -1.262   5.711
  113   1HD   LYS  15          HD2       LYS  15  21.384   1.056   5.711
  114   2HD   LYS  15          HD1       LYS  15  19.706   1.563   5.513
  115   1HE   LYS  15          HE2       LYS  15  19.272  -0.191   7.440
  116   2HE   LYS  15          HE1       LYS  15  20.979   0.080   7.786
  117   1HZ   LYS  15          HZ1       LYS  15  20.058   2.582   7.429
  118   2HZ   LYS  15          HZ2       LYS  15  20.235   1.824   8.939
  119   3HZ   LYS  15          HZ3       LYS  15  18.724   1.836   8.162
  120    H    GLN  16           HN       GLN  16  22.068  -2.054   1.817
  121    HA   GLN  16           HA       GLN  16  24.755  -2.708   1.930
  122   1HB   GLN  16          HB2       GLN  16  22.922  -2.714  -0.485
  123   2HB   GLN  16          HB1       GLN  16  24.519  -3.461  -0.479
  124   1HG   GLN  16          HG2       GLN  16  22.111  -4.211   1.191
  125   2HG   GLN  16          HG1       GLN  16  22.995  -5.219   0.045
  126   1HE2  GLN  16          HE21      GLN  16  22.519  -5.588   3.038
  127   2HE2  GLN  16          HE22      GLN  16  24.072  -5.783   3.695
  128    H    MET  17           HN       MET  17  23.280  -0.056   0.115
  129    HA   MET  17           HA       MET  17  25.332   0.761  -1.556
  130   1HB   MET  17          HB2       MET  17  23.636   2.534   0.228
  131   2HB   MET  17          HB1       MET  17  24.563   3.094  -1.164
  132   1HG   MET  17          HG2       MET  17  22.797   0.796  -1.717
  133   2HG   MET  17          HG1       MET  17  21.951   2.281  -1.282
  134   1HE   MET  17          HE1       MET  17  24.667   0.861  -4.185
  135   2HE   MET  17          HE2       MET  17  23.172   0.939  -5.113
  136   3HE   MET  17          HE3       MET  17  23.183   0.146  -3.540
  137    H    ALA  18           HN       ALA  18  25.000   2.403   1.587
  138    HA   ALA  18           HA       ALA  18  27.560   3.424   1.789
  139   1HB   ALA  18          HB1       ALA  18  26.200   4.054   3.567
  140   2HB   ALA  18          HB2       ALA  18  27.251   2.879   4.357
  141   3HB   ALA  18          HB3       ALA  18  25.631   2.408   3.844
  142    H    VAL  19           HN       VAL  19  26.593   0.288   3.181
  143    HA   VAL  19           HA       VAL  19  28.996  -0.720   4.048
  144    HB   VAL  19           HB       VAL  19  26.718  -2.040   2.594
  145   1HG1  VAL  19          HG11      VAL  19  29.368  -3.301   3.321
  146   2HG1  VAL  19          HG12      VAL  19  28.499  -3.396   1.789
  147   3HG1  VAL  19          HG13      VAL  19  27.886  -4.250   3.206
  148   1HG2  VAL  19          HG21      VAL  19  27.899  -2.661   5.307
  149   2HG2  VAL  19          HG22      VAL  19  26.265  -2.985   4.728
  150   3HG2  VAL  19          HG23      VAL  19  26.764  -1.330   5.080
  151    H    LYS  20           HN       LYS  20  27.928  -0.964   0.619
  152    HA   LYS  20           HA       LYS  20  30.596  -1.824  -0.212
  153   1HB   LYS  20          HB2       LYS  20  28.356  -0.865  -2.005
  154   2HB   LYS  20          HB1       LYS  20  29.676  -1.964  -2.411
  155   1HG   LYS  20          HG2       LYS  20  28.776  -3.707  -1.051
  156   2HG   LYS  20          HG1       LYS  20  27.636  -2.607  -0.274
  157   1HD   LYS  20          HD2       LYS  20  27.601  -3.255  -3.234
  158   2HD   LYS  20          HD1       LYS  20  26.591  -4.067  -2.038
  159   1HE   LYS  20          HE2       LYS  20  25.111  -2.375  -2.096
  160   2HE   LYS  20          HE1       LYS  20  26.377  -1.226  -1.664
  161   1HZ   LYS  20          HZ1       LYS  20  25.091  -1.198  -3.992
  162   2HZ   LYS  20          HZ2       LYS  20  26.418  -2.175  -4.405
  163   3HZ   LYS  20          HZ3       LYS  20  26.669  -0.611  -3.790
  164    HN   LYN  21           HN       LYN  21  30.952   0.552   1.105
  165    HA   LYN  21           HA       LYN  21  30.994   2.725  -0.900
  166    HB1  LYN  21           HB1      LYN  21  32.317   3.640   1.366
  167    HB2  LYN  21           HB2      LYN  21  31.113   2.528   2.018
  168    HG1  LYN  21           HG1      LYN  21  29.467   4.013   1.615
  169    HG2  LYN  21           HG2      LYN  21  29.937   4.125  -0.081
  170    HD1  LYN  21           HD1      LYN  21  31.777   5.505   1.756
  171    HD2  LYN  21           HD2      LYN  21  30.144   6.173   1.751
  172    HE1  LYN  21           HE1      LYN  21  30.596   5.776  -0.930
  173    HE2  LYN  21           HE2      LYN  21  32.204   6.219  -0.358
  174    HZ1  LYN  21           HZ1      LYN  21  29.697   7.755   0.050
  175    HZ2  LYN  21           HZ2      LYN  21  30.999   8.188  -0.951
  176    HZ3  LYN  21           HZ3      LYN  21  31.194   8.159   0.737
  177    H1   LYN  21           H1       LYN  21  32.886   0.137  -0.626
  178    H2   LYN  21           H2       LYN  21  34.421   0.809  -0.899
  Start of MODEL   25
    1   1H    HIS   1          HT1       HIS   1   4.264   9.046   2.850
    2   2H    HIS   1          HT2       HIS   1   3.209   7.753   3.170
    3   3H    HIS   1          HT3       HIS   1   2.605   9.211   2.540
    4    HA   HIS   1           HA       HIS   1   2.772   7.429   0.858
    5   1HB   HIS   1          HB2       HIS   1   2.933   9.905   0.337
    6   2HB   HIS   1          HB1       HIS   1   4.687   9.722   0.359
    7    HD1  HIS   1           HD1      HIS   1   5.129  10.006  -2.135
    8    HD2  HIS   1           HD2      HIS   1   2.287   7.064  -1.330
    9    HE1  HIS   1           HE1      HIS   1   4.705   8.803  -4.323
   10    H    SER   2           HN       SER   2   4.106   5.934  -0.215
   11    HA   SER   2           HA       SER   2   6.993   5.926   0.188
   12   1HB   SER   2          HB2       SER   2   5.204   4.063   1.727
   13   2HB   SER   2          HB1       SER   2   6.808   3.532   1.231
   14    HG   SER   2           HG       SER   2   7.422   4.569   2.956
   15    H    ASP   3           HN       ASP   3   7.985   4.027  -0.966
   16    HA   ASP   3           HA       ASP   3   6.381   2.257  -2.579
   17   1HB   ASP   3          HB2       ASP   3   6.017   4.597  -3.615
   18   2HB   ASP   3          HB1       ASP   3   7.682   4.453  -4.179
   19    H    GLY   4           HN       GLY   4   8.289   1.096  -1.384
   20   1HA   GLY   4          HA2       GLY   4  10.289  -0.123  -1.717
   21   2HA   GLY   4          HA1       GLY   4  10.405   0.601  -3.324
   22    H    ILE   5           HN       ILE   5  11.958   2.126  -3.608
   23    HA   ILE   5           HA       ILE   5  13.980   2.782  -1.879
   24    HB   ILE   5           HB       ILE   5  14.186   3.630  -4.066
   25   1HG1  ILE   5          HG12      ILE   5  13.579   5.969  -2.226
   26   2HG1  ILE   5          HG11      ILE   5  15.152   5.216  -2.492
   27   1HG2  ILE   5          HG21      ILE   5  11.515   4.953  -3.551
   28   2HG2  ILE   5          HG22      ILE   5  11.873   3.671  -4.708
   29   3HG2  ILE   5          HG23      ILE   5  12.510   5.295  -4.966
   30   1HD1  ILE   5          HD11      ILE   5  14.966   5.854  -4.919
   31   2HD1  ILE   5          HD12      ILE   5  15.054   7.235  -3.826
   32   3HD1  ILE   5          HD13      ILE   5  13.504   6.754  -4.516
   33    H    PHE   6           HN       PHE   6  10.705   4.025  -1.727
   34    HA   PHE   6           HA       PHE   6  11.534   5.742   0.572
   35   1HB   PHE   6          HB2       PHE   6   9.533   6.018  -1.561
   36   2HB   PHE   6          HB1       PHE   6   8.909   6.380   0.050
   37    HD1  PHE   6           HD1      PHE   6  10.786   7.693   1.562
   38    HD2  PHE   6           HD2      PHE   6  10.389   7.837  -2.711
   39    HE1  PHE   6           HE1      PHE   6  11.957   9.882   1.527
   40    HE2  PHE   6           HE2      PHE   6  11.557  10.026  -2.749
   41    HZ   PHE   6           HZ       PHE   6  12.342  11.048  -0.629
   42    H    THR   7           HN       THR   7  11.603   3.647   1.854
   43    HA   THR   7           HA       THR   7   9.250   3.362   3.424
   44    HB   THR   7           HB       THR   7   8.397   2.218   1.391
   45    HG1  THR   7           HG1      THR   7   7.953   0.191   2.528
   46   1HG2  THR   7          HG21      THR   7   9.907  -0.214   1.646
   47   2HG2  THR   7          HG22      THR   7  11.007   1.133   1.353
   48   3HG2  THR   7          HG23      THR   7   9.691   0.807   0.225
   49    H    ASP   8           HN       ASP   8   9.923   0.334   3.702
   50    HA   ASP   8           HA       ASP   8  12.248   0.843   5.472
   51   1HB   ASP   8          HB2       ASP   8  10.399  -0.140   6.637
   52   2HB   ASP   8          HB1       ASP   8  10.189  -1.369   5.390
   53    H    SER   9           HN       SER   9  11.128  -1.873   3.405
   54    HA   SER   9           HA       SER   9  13.381  -3.394   3.199
   55   1HB   SER   9          HB2       SER   9  12.802  -3.380   0.586
   56   2HB   SER   9          HB1       SER   9  11.808  -4.217   1.771
   57    HG   SER   9           HG       SER   9  10.926  -2.479   0.165
   58    H    TYR  10           HN       TYR  10  12.874  -0.687   0.886
   59    HA   TYR  10           HA       TYR  10  15.394  -0.617  -0.250
   60   1HB   TYR  10          HB2       TYR  10  14.529   1.221  -1.209
   61   2HB   TYR  10          HB1       TYR  10  13.171   1.112  -0.106
   62    HD1  TYR  10           HD1      TYR  10  13.077   2.479   1.931
   63    HD2  TYR  10           HD2      TYR  10  16.378   2.781  -0.802
   64    HE1  TYR  10           HE1      TYR  10  13.787   4.587   3.023
   65    HE2  TYR  10           HE2      TYR  10  17.086   4.890   0.291
   66    HH   TYR  10           HH       TYR  10  16.654   5.860   2.867
   67    H    SER  11           HN       SER  11  14.434   1.065   2.748
   68    HA   SER  11           HA       SER  11  16.882   2.220   3.429
   69   1HB   SER  11          HB2       SER  11  14.844   2.560   4.742
   70   2HB   SER  11          HB1       SER  11  14.866   0.873   5.254
   71    HG   SER  11           HG       SER  11  15.805   2.254   6.819
   72    H    ARG  12           HN       ARG  12  15.764  -1.070   4.275
   73    HA   ARG  12           HA       ARG  12  18.363  -1.850   5.317
   74   1HB   ARG  12          HB2       ARG  12  17.402  -4.012   5.624
   75   2HB   ARG  12          HB1       ARG  12  16.081  -2.884   5.912
   76   1HG   ARG  12          HG2       ARG  12  15.092  -3.330   3.822
   77   2HG   ARG  12          HG1       ARG  12  16.553  -4.073   3.177
   78   1HD   ARG  12          HD2       ARG  12  15.014  -5.218   5.517
   79   2HD   ARG  12          HD1       ARG  12  14.723  -5.700   3.845
   80    HE   ARG  12           HE       ARG  12  17.393  -6.116   4.030
   81   1HH1  ARG  12          HH21      ARG  12  14.681  -7.736   5.035
   82   2HH1  ARG  12          HH22      ARG  12  15.473  -8.741   6.203
   83   1HH2  ARG  12          HH11      ARG  12  18.482  -7.026   6.028
   84   2HH2  ARG  12          HH12      ARG  12  17.625  -8.339   6.764
   85    H    TYR  13           HN       TYR  13  16.859  -1.715   2.219
   86    HA   TYR  13           HA       TYR  13  18.797  -3.562   0.983
   87   1HB   TYR  13          HB2       TYR  13  16.959  -3.884  -0.302
   88   2HB   TYR  13          HB1       TYR  13  16.189  -2.429   0.313
   89    HD1  TYR  13           HD1      TYR  13  17.602  -3.972  -2.536
   90    HD2  TYR  13           HD2      TYR  13  17.161  -0.149  -0.629
   91    HE1  TYR  13           HE1      TYR  13  18.030  -2.843  -4.701
   92    HE2  TYR  13           HE2      TYR  13  17.591   0.980  -2.793
   93    HH   TYR  13           HH       TYR  13  18.288   0.689  -4.912
   94    H    ARG  14           HN       ARG  14  18.889  -0.423   2.002
   95    HA   ARG  14           HA       ARG  14  20.400   0.612  -0.325
   96   1HB   ARG  14          HB2       ARG  14  18.690   1.927   1.206
   97   2HB   ARG  14          HB1       ARG  14  20.101   2.125   2.247
   98   1HG   ARG  14          HG2       ARG  14  21.252   2.780  -0.074
   99   2HG   ARG  14          HG1       ARG  14  19.593   3.215  -0.486
  100   1HD   ARG  14          HD2       ARG  14  19.530   4.511   1.714
  101   2HD   ARG  14          HD1       ARG  14  21.277   4.281   1.789
  102    HE   ARG  14           HE       ARG  14  19.913   5.730  -0.448
  103   1HH1  ARG  14          HH11      ARG  14  21.651   6.468   2.222
  104   2HH1  ARG  14          HH12      ARG  14  23.001   7.191   1.412
  105   1HH2  ARG  14          HH21      ARG  14  22.039   6.095  -1.734
  106   2HH2  ARG  14          HH22      ARG  14  23.220   6.980  -0.827
  107    H    LYS  15           HN       LYS  15  21.028   0.704   3.205
  108    HA   LYS  15           HA       LYS  15  23.748   1.124   3.193
  109   1HB   LYS  15          HB2       LYS  15  22.050  -0.639   4.955
  110   2HB   LYS  15          HB1       LYS  15  23.786  -0.490   5.230
  111   1HG   LYS  15          HG2       LYS  15  23.051   1.256   6.550
  112   2HG   LYS  15          HG1       LYS  15  23.223   2.110   5.016
  113   1HD   LYS  15          HD2       LYS  15  20.914   2.086   4.595
  114   2HD   LYS  15          HD1       LYS  15  20.629   0.753   5.714
  115   1HE   LYS  15          HE2       LYS  15  21.829   2.996   7.098
  116   2HE   LYS  15          HE1       LYS  15  20.360   3.500   6.263
  117   1HZ   LYS  15          HZ1       LYS  15  19.182   1.666   7.302
  118   2HZ   LYS  15          HZ2       LYS  15  19.876   2.676   8.479
  119   3HZ   LYS  15          HZ3       LYS  15  20.595   1.182   8.106
  120    H    GLN  16           HN       GLN  16  22.163  -2.051   2.769
  121    HA   GLN  16           HA       GLN  16  24.359  -3.738   2.631
  122   1HB   GLN  16          HB2       GLN  16  21.902  -3.678   0.857
  123   2HB   GLN  16          HB1       GLN  16  23.083  -4.986   0.816
  124   1HG   GLN  16          HG2       GLN  16  21.363  -4.133   3.157
  125   2HG   GLN  16          HG1       GLN  16  21.343  -5.683   2.316
  126   1HE2  GLN  16          HE21      GLN  16  23.588  -6.873   2.384
  127   2HE2  GLN  16          HE22      GLN  16  24.433  -6.792   3.854
  128    H    MET  17           HN       MET  17  23.234  -1.487   0.131
  129    HA   MET  17           HA       MET  17  24.762  -2.139  -2.062
  130   1HB   MET  17          HB2       MET  17  24.359   0.621  -0.877
  131   2HB   MET  17          HB1       MET  17  24.981   0.324  -2.501
  132   1HG   MET  17          HG2       MET  17  22.514  -1.158  -1.899
  133   2HG   MET  17          HG1       MET  17  22.313   0.594  -1.862
  134   1HE   MET  17          HE1       MET  17  21.140  -1.069  -5.361
  135   2HE   MET  17          HE2       MET  17  20.555  -0.390  -3.845
  136   3HE   MET  17          HE3       MET  17  21.348  -1.963  -3.848
  137    H    ALA  18           HN       ALA  18  26.037   0.260   0.268
  138    HA   ALA  18           HA       ALA  18  28.667   0.333  -0.504
  139   1HB   ALA  18          HB1       ALA  18  28.264   1.703   1.318
  140   2HB   ALA  18          HB2       ALA  18  29.131   0.387   2.109
  141   3HB   ALA  18          HB3       ALA  18  27.371   0.455   2.186
  142    H    VAL  19           HN       VAL  19  27.462  -1.991   1.917
  143    HA   VAL  19           HA       VAL  19  29.673  -3.556   2.361
  144    HB   VAL  19           HB       VAL  19  26.781  -4.293   1.996
  145   1HG1  VAL  19          HG11      VAL  19  27.566  -6.339   1.243
  146   2HG1  VAL  19          HG12      VAL  19  27.670  -6.600   2.984
  147   3HG1  VAL  19          HG13      VAL  19  29.115  -6.167   2.070
  148   1HG2  VAL  19          HG21      VAL  19  27.620  -3.211   4.084
  149   2HG2  VAL  19          HG22      VAL  19  28.725  -4.566   4.313
  150   3HG2  VAL  19          HG23      VAL  19  26.983  -4.829   4.379
  151    H    LYS  20           HN       LYS  20  27.479  -4.094  -0.444
  152    HA   LYS  20           HA       LYS  20  29.467  -5.862  -1.681
  153   1HB   LYS  20          HB2       LYS  20  26.941  -4.764  -2.938
  154   2HB   LYS  20          HB1       LYS  20  27.824  -6.223  -3.390
  155   1HG   LYS  20          HG2       LYS  20  27.193  -7.345  -1.377
  156   2HG   LYS  20          HG1       LYS  20  26.599  -5.852  -0.650
  157   1HD   LYS  20          HD2       LYS  20  25.414  -7.122  -3.135
  158   2HD   LYS  20          HD1       LYS  20  24.763  -7.329  -1.508
  159   1HE   LYS  20          HE2       LYS  20  24.513  -4.855  -1.329
  160   2HE   LYS  20          HE1       LYS  20  25.064  -4.705  -2.998
  161   1HZ   LYS  20          HZ1       LYS  20  23.165  -5.654  -3.811
  162   2HZ   LYS  20          HZ2       LYS  20  22.539  -4.846  -2.454
  163   3HZ   LYS  20          HZ3       LYS  20  22.837  -6.517  -2.388
  164    HN   LYN  21           HN       LYN  21  29.207  -5.122  -4.382
  165    HA   LYN  21           HA       LYN  21  30.025  -2.294  -4.590
  166    HB1  LYN  21           HB1      LYN  21  32.118  -3.116  -5.897
  167    HB2  LYN  21           HB2      LYN  21  31.881  -4.630  -5.024
  168    HG1  LYN  21           HG1      LYN  21  33.440  -3.141  -3.815
  169    HG2  LYN  21           HG2      LYN  21  31.967  -3.404  -2.881
  170    HD1  LYN  21           HD1      LYN  21  31.136  -1.251  -3.370
  171    HD2  LYN  21           HD2      LYN  21  32.214  -1.050  -4.751
  172    HE1  LYN  21           HE1      LYN  21  34.150  -0.939  -3.238
  173    HE2  LYN  21           HE2      LYN  21  33.092  -1.189  -1.849
  174    HZ1  LYN  21           HZ1      LYN  21  33.355   1.164  -3.587
  175    HZ2  LYN  21           HZ2      LYN  21  33.257   1.079  -1.893
  176    HZ3  LYN  21           HZ3      LYN  21  31.863   0.859  -2.839
  177    H1   LYN  21           H1       LYN  21  30.905  -2.202  -7.189
  178    H2   LYN  21           H2       LYN  21  29.761  -2.875  -8.247