For BMRB entry 25870:

############################################################################
For conformer 1:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 742 (S):       HA         4.525         4.525         4.043         0.482
RESID 742 (S):       CA        58.148        58.148        60.618        -2.470
RESID 742 (S):       CB        63.791        63.791        62.477         1.314
RESID 743 (I):        N       122.172       122.172       122.425        -0.253
RESID 743 (I):       HA         4.362         4.362         4.014         0.348
RESID 743 (I):       CA        60.421        60.421        62.151        -1.730
RESID 743 (I):       CB        39.166        39.166        38.582         0.584
RESID 743 (I):        H         8.132         8.132         8.249        -0.117
RESID 744 (S):        N       123.144       123.144       120.849         2.295
RESID 744 (S):       HA         4.449         4.449         4.562        -0.113
RESID 744 (S):       CA        57.463        57.463        56.840         0.623
RESID 744 (S):       CB        65.219        65.219        64.776         0.443
RESID 744 (S):        H         8.848         8.848         8.488         0.360
RESID 745 (Q):        N       121.619       121.619       124.072        -2.453
RESID 745 (Q):       HA         3.952         3.952         4.106        -0.154
RESID 745 (Q):       CA        58.768        58.768        59.188        -0.420
RESID 745 (Q):       CB        28.512        28.512        28.711        -0.199
RESID 745 (Q):        H         9.042         9.042         8.995         0.047
RESID 746 (E):        N       118.648       118.648       119.671        -1.023
RESID 746 (E):       HA         4.004         4.004         4.133        -0.129
RESID 746 (E):       CA        60.223        60.223        58.948         1.275
RESID 746 (E):       CB        28.854        28.854        29.475        -0.621
RESID 746 (E):        H         8.721         8.721         7.816         0.905
RESID 747 (Q):        N       120.463       120.463       120.203         0.260
RESID 747 (Q):       HA         3.766         3.766         4.397        -0.631
RESID 747 (Q):       CA        58.306        58.306        58.866        -0.560
RESID 747 (Q):       CB        28.948        28.948        28.215         0.733
RESID 747 (Q):        H         7.838         7.838         8.445        -0.607
RESID 748 (M):        N       119.252       119.252       115.478         3.774
RESID 748 (M):       HA         4.200         4.200         4.447        -0.247
RESID 748 (M):       CA        58.096        58.096        59.273        -1.177
RESID 748 (M):       CB        30.900        30.900        32.350        -1.450
RESID 748 (M):        H         8.473         8.473         8.269         0.204
RESID 749 (N):        N       117.740       117.740       118.612        -0.872
RESID 749 (N):       HA         4.474         4.474         4.483        -0.009
RESID 749 (N):       CA        55.795        55.795        56.067        -0.272
RESID 749 (N):       CB        37.413        37.413        38.700        -1.287
RESID 749 (N):        H         8.334         8.334         7.670         0.664
RESID 750 (E):        N       122.848       122.848       119.400         3.448
RESID 750 (E):       HA         4.204         4.204         4.160         0.044
RESID 750 (E):       CA        59.341        59.341        58.437         0.904
RESID 750 (E):       CB        29.184        29.184        29.612        -0.428
RESID 750 (E):        H         7.838         7.838         8.421        -0.583
RESID 751 (F):        N       120.177       120.177       123.178        -3.001
RESID 751 (F):       HA         5.021         5.021         4.386         0.635
RESID 751 (F):       CA        58.353        58.353        59.633        -1.280
RESID 751 (F):       CB        37.797        37.797        39.430        -1.633
RESID 751 (F):        H         8.785         8.785         8.722         0.063
RESID 752 (R):        N       120.528       120.528       120.197         0.331
RESID 752 (R):       HA         4.160         4.160         3.953         0.207
RESID 752 (R):       CA        59.704        59.704        58.317         1.387
RESID 752 (R):       CB        29.968        29.968        28.633         1.335
RESID 752 (R):        H         9.016         9.016         8.077         0.939
RESID 753 (A):        N       121.112       121.112       122.691        -1.579
RESID 753 (A):       HA         4.245         4.245         4.483        -0.238
RESID 753 (A):       CA        55.331        55.331        54.538         0.792
RESID 753 (A):       CB        17.823        17.823        17.895        -0.072
RESID 753 (A):        H         8.100         8.100         7.843         0.257
RESID 754 (S):        N       115.589       115.589       115.287         0.302
RESID 754 (S):       HA         4.452         4.452         4.285         0.167
RESID 754 (S):       CA        62.675        62.675        60.668         2.007
RESID 754 (S):       CB        63.359        63.359        62.473         0.886
RESID 754 (S):        H         8.391         8.391         7.840         0.551
RESID 755 (F):        N       121.886       121.886       118.349         3.537
RESID 755 (F):       HA         3.642         3.642         3.907        -0.265
RESID 755 (F):       CA        61.964        61.964        58.940         3.024
RESID 755 (F):       CB        39.822        39.822        38.240         1.582
RESID 755 (F):        H         8.675         8.675         7.648         1.027
RESID 756 (N):        N       113.618       113.618       113.071         0.547
RESID 756 (N):       HA         4.427         4.427         4.110         0.317
RESID 756 (N):       CA        55.611        55.611        52.269         3.342
RESID 756 (N):       CB        37.838        37.838        38.916        -1.079
RESID 756 (N):        H         8.593         8.593         7.596         0.997
RESID 757 (H):        N       119.679       119.679       120.960        -1.281
RESID 757 (H):       HA         4.079         4.079         4.272        -0.193
RESID 757 (H):       CA        59.344        59.344        58.462         0.883
RESID 757 (H):       CB        29.889        29.889        30.203        -0.314
RESID 757 (H):        H         8.139         8.139         7.634         0.505
RESID 758 (F):        N       113.051       113.051       116.781        -3.730
RESID 758 (F):       HA         4.061         4.061         4.404        -0.343
RESID 758 (F):       CA        60.697        60.697        58.090         2.607
RESID 758 (F):       CB        38.735        38.735        40.356        -1.621
RESID 758 (F):        H         7.585         7.585         7.460         0.125
RESID 759 (D):        N       120.916       120.916       121.627        -0.711
RESID 759 (D):       HA         4.509         4.509         4.457         0.052
RESID 759 (D):       CA        52.171        52.171        54.916        -2.745
RESID 759 (D):       CB        38.009        38.009        40.980        -2.971
RESID 759 (D):        H         7.423         7.423         8.085        -0.662
RESID 760 (R):        N       124.819       124.819       125.658        -0.839
RESID 760 (R):       HA         3.768         3.768         4.067        -0.299
RESID 760 (R):       CA        58.275        58.275        58.726        -0.451
RESID 760 (R):       CB        30.249        30.249        30.658        -0.409
RESID 760 (R):        H         7.781         7.781         8.287        -0.506
RESID 761 (D):        N       113.673       113.673       113.676        -0.003
RESID 761 (D):       HA         4.483         4.483         4.703        -0.220
RESID 761 (D):       CA        51.977        51.977        53.508        -1.531
RESID 761 (D):       CB        39.522        39.522        40.761        -1.239
RESID 761 (D):        H         7.821         7.821         8.080        -0.259
RESID 762 (H):        N       114.966       114.966       116.607        -1.641
RESID 762 (H):       HA         4.161         4.161         4.227        -0.066
RESID 762 (H):       CA        56.618        56.618        57.014        -0.396
RESID 762 (H):       CB        26.380        26.380        28.913        -2.533
RESID 762 (H):        H         7.744         7.744         7.881        -0.137
RESID 763 (S):        N       115.077       115.077       113.878         1.199
RESID 763 (S):       HA         4.336         4.336         4.353        -0.017
RESID 763 (S):       CA        59.860        59.860        59.904        -0.043
RESID 763 (S):       CB        65.192        65.192        64.066         1.126
RESID 763 (S):        H         8.726         8.726         8.799        -0.073
RESID 764 (G):        N       116.915       116.915       110.316         6.599
RESID 764 (G):       CA        45.449        45.449        45.563        -0.114
RESID 764 (G):        H        11.017        11.017         8.852         2.165
RESID 765 (T):        N       107.334       107.334       110.693        -3.359
RESID 765 (T):       HA         4.829         4.829         5.192        -0.363
RESID 765 (T):       CA        58.759        58.759        60.783        -2.024
RESID 765 (T):       CB        73.383        73.383        71.979         1.404
RESID 765 (T):        H         7.693         7.693         8.009        -0.316
RESID 766 (L):        N       124.664       124.664       124.133         0.531
RESID 766 (L):       HA         4.900         4.900         4.665         0.235
RESID 766 (L):       CA        52.339        52.339        53.703        -1.363
RESID 766 (L):       CB        42.339        42.339        42.725        -0.386
RESID 766 (L):        H         9.209         9.209         8.728         0.481
RESID 767 (G):        N       112.024       112.024       112.229        -0.205
RESID 767 (G):       CA        44.123        44.123        43.969         0.154
RESID 767 (G):        H         8.910         8.910         8.992        -0.082
RESID 768 (P):       HA         4.318         4.318         4.558        -0.240
RESID 768 (P):       CA        67.127        67.127        66.228         0.899
RESID 768 (P):       CB        32.029        32.029        32.216        -0.187
RESID 769 (E):        N       115.246       115.246       117.694        -2.448
RESID 769 (E):       HA         3.971         3.971         4.033        -0.062
RESID 769 (E):       CA        59.621        59.621        58.861         0.760
RESID 769 (E):       CB        28.628        28.628        29.172        -0.544
RESID 769 (E):        H         8.622         8.622         8.979        -0.357
RESID 770 (E):        N       121.127       121.127       118.399         2.728
RESID 770 (E):       HA         4.272         4.272         4.177         0.095
RESID 770 (E):       CA        58.497        58.497        58.612        -0.115
RESID 770 (E):       CB        31.372        31.372        29.800         1.572
RESID 770 (E):        H         7.493         7.493         8.137        -0.644
RESID 771 (F):        N       117.688       117.688       121.948        -4.260
RESID 771 (F):       HA         4.355         4.355         4.276         0.079
RESID 771 (F):       CA        58.625        58.625        60.648        -2.023
RESID 771 (F):       CB        38.810        38.810        39.441        -0.631
RESID 771 (F):        H         9.110         9.110         8.884         0.226
RESID 772 (K):        N       119.789       119.789       118.492         1.297
RESID 772 (K):       HA         3.313         3.313         3.636        -0.323
RESID 772 (K):       CA        60.672        60.672        58.292         2.380
RESID 772 (K):       CB        31.979        31.979        30.817         1.162
RESID 772 (K):        H         8.594         8.594         8.057         0.537
RESID 773 (A):        N       118.461       118.461       120.705        -2.244
RESID 773 (A):       HA         3.881         3.881         4.004        -0.123
RESID 773 (A):       CA        55.013        55.013        53.829         1.184
RESID 773 (A):       CB        17.629        17.629        18.850        -1.221
RESID 773 (A):        H         7.231         7.231         7.455        -0.224
RESID 774 (C):        N       120.913       120.913       119.281         1.632
RESID 774 (C):       HA         2.435         2.435         2.875        -0.440
RESID 774 (C):       CA        61.174        61.174        61.410        -0.236
RESID 774 (C):       CB        26.215        26.215        26.308        -0.094
RESID 774 (C):        H         7.498         7.498         7.718        -0.220
RESID 775 (L):        N       119.201       119.201       118.645         0.556
RESID 775 (L):       HA         3.766         3.766         3.541         0.225
RESID 775 (L):       CA        57.932        57.932        56.167         1.765
RESID 775 (L):       CB        40.950        40.950        40.980        -0.029
RESID 775 (L):        H         8.372         8.372         7.563         0.809
RESID 776 (I):        N       121.051       121.051       118.344         2.707
RESID 776 (I):       HA         4.090         4.090         2.518         1.572
RESID 776 (I):       CA        65.244        65.244        64.180         1.064
RESID 776 (I):       CB        37.991        37.991        37.170         0.821
RESID 776 (I):        H         8.358         8.358         6.649         1.709
RESID 777 (S):        N       119.109       119.109       113.956         5.153
RESID 777 (S):       HA         4.291         4.291         4.217         0.074
RESID 777 (S):       CA        61.725        61.725        60.329         1.396
RESID 777 (S):       CB        62.995        62.995        63.052        -0.057
RESID 777 (S):        H         7.822         7.822         7.323         0.499
RESID 778 (L):        N       121.208       121.208       117.233         3.975
RESID 778 (L):       HA         4.506         4.506         4.389         0.117
RESID 778 (L):       CA        54.999        54.999        53.793         1.206
RESID 778 (L):       CB        42.670        42.670        42.524         0.146
RESID 778 (L):        H         7.671         7.671         7.096         0.575
RESID 779 (G):        N       106.232       106.232       107.164        -0.932
RESID 779 (G):       CA        45.287        45.287        45.041         0.246
RESID 779 (G):        H         7.897         7.897         7.213         0.684
RESID 780 (Y):        N       120.772       120.772       117.785         2.987
RESID 780 (Y):       HA         4.142         4.142         4.552        -0.410
RESID 780 (Y):       CA        59.231        59.231        55.034         4.197
RESID 780 (Y):       CB        38.341        38.341        38.519        -0.178
RESID 780 (Y):        H         8.072         8.072         7.375         0.697
RESID 781 (D):        N       124.304       124.304       117.832         6.472
RESID 781 (D):       HA         4.665         4.665         4.660         0.005
RESID 781 (D):       CA        53.148        53.148        54.006        -0.858
RESID 781 (D):       CB        39.804        39.804        40.574        -0.770
RESID 781 (D):        H         8.862         8.862         9.118        -0.256
RESID 782 (I):        N       122.271       122.271       113.199         9.072
RESID 782 (I):       HA         4.341         4.341         4.358        -0.017
RESID 782 (I):       CA        58.992        58.992        59.089        -0.097
RESID 782 (I):       CB        37.907        37.907        40.137        -2.230
RESID 782 (I):        H         7.344         7.344         6.913         0.431
RESID 783 (G):        N       112.322       112.322       106.929         5.393
RESID 783 (G):       CA        44.523        44.523        44.274         0.249
RESID 783 (G):        H         8.122         8.122         7.987         0.135
RESID 784 (N):        N       118.727       118.727       119.805        -1.078
RESID 784 (N):       HA         4.882         4.882         4.729         0.153
RESID 784 (N):       CA        52.098        52.098        52.748        -0.650
RESID 784 (N):       CB        37.424        37.424        38.069        -0.645
RESID 784 (N):        H         8.452         8.452         8.643        -0.191
RESID 785 (D):        N       119.826       119.826       120.606        -0.780
RESID 785 (D):       HA         4.778         4.778         5.087        -0.309
RESID 785 (D):       CA        52.164        52.164        51.252         0.912
RESID 785 (D):       CB        39.657        39.657        42.817        -3.160
RESID 785 (D):        H         8.145         8.145         8.003         0.142
RESID 786 (P):       HA         4.271         4.271         4.421        -0.150
RESID 786 (P):       CA        66.265        66.265        64.768         1.497
RESID 786 (P):       CB        32.011        32.011        32.072        -0.061
RESID 787 (Q):        N       118.097       118.097       117.754         0.343
RESID 787 (Q):       HA         4.141         4.141         4.254        -0.113
RESID 787 (Q):       CA        59.115        59.115        58.081         1.034
RESID 787 (Q):       CB        27.732        27.732        29.115        -1.383
RESID 787 (Q):        H         8.409         8.409         8.737        -0.328
RESID 788 (G):        N       113.421       113.421       108.315         5.106
RESID 788 (G):       CA        47.317        47.317        46.797         0.520
RESID 788 (G):        H         8.644         8.644         8.841        -0.198
RESID 789 (E):        N       121.223       121.223       121.220         0.003
RESID 789 (E):       HA         4.148         4.148         4.299        -0.151
RESID 789 (E):       CA        59.344        59.344        59.394        -0.050
RESID 789 (E):       CB        29.435        29.435        29.421         0.014
RESID 789 (E):        H         8.514         8.514         8.233         0.281
RESID 790 (A):        N       122.879       122.879       122.507         0.372
RESID 790 (A):       HA         4.247         4.247         4.190         0.057
RESID 790 (A):       CA        54.907        54.907        55.123        -0.216
RESID 790 (A):       CB        17.780        17.780        18.433        -0.652
RESID 790 (A):        H         8.024         8.024         7.608         0.416
RESID 791 (E):        N       122.622       122.622       119.155         3.467
RESID 791 (E):       HA         4.687         4.687         4.120         0.567
RESID 791 (E):       CA        58.134        58.134        58.467        -0.333
RESID 791 (E):       CB        29.061        29.061        29.450        -0.389
RESID 791 (E):        H         8.280         8.280         7.777         0.503
RESID 792 (F):        N       119.949       119.949       121.192        -1.243
RESID 792 (F):       HA         4.038         4.038         4.244        -0.206
RESID 792 (F):       CA        61.812        61.812        60.998         0.814
RESID 792 (F):       CB        38.598        38.598        38.486         0.112
RESID 792 (F):        H         8.722         8.722         8.882        -0.160
RESID 793 (A):        N       119.652       119.652       121.631        -1.979
RESID 793 (A):       HA         3.854         3.854         3.324         0.530
RESID 793 (A):       CA        54.902        54.902        54.394         0.508
RESID 793 (A):       CB        17.628        17.628        17.819        -0.191
RESID 793 (A):        H         8.163         8.163         7.724         0.439
RESID 794 (R):        N       121.092       121.092       119.428         1.664
RESID 794 (R):       HA         3.910         3.910         3.989        -0.079
RESID 794 (R):       CA        59.471        59.471        59.152         0.319
RESID 794 (R):       CB        30.092        30.092        30.185        -0.093
RESID 794 (R):        H         8.034         8.034         7.656         0.378
RESID 795 (I):        N       121.394       121.394       120.402         0.992
RESID 795 (I):       HA         3.388         3.388         3.731        -0.343
RESID 795 (I):       CA        65.848        65.848        65.340         0.508
RESID 795 (I):       CB        38.209        38.209        38.324        -0.115
RESID 795 (I):        H         8.049         8.049         8.061        -0.012
RESID 796 (M):        N       119.012       119.012       118.602         0.410
RESID 796 (M):       HA         4.155         4.155         3.948         0.207
RESID 796 (M):       CA        56.470        56.470        57.880        -1.410
RESID 796 (M):       CB        29.892        29.892        31.474        -1.581
RESID 796 (M):        H         8.589         8.589         8.276         0.313
RESID 797 (S):        N       114.132       114.132       112.782         1.350
RESID 797 (S):       HA         4.097         4.097         4.236        -0.139
RESID 797 (S):       CA        61.231        61.231        60.178         1.053
RESID 797 (S):       CB        62.895        62.895        63.527        -0.632
RESID 797 (S):        H         7.732         7.732         7.533         0.199
RESID 798 (I):        N       120.873       120.873       116.564         4.309
RESID 798 (I):       HA         3.818         3.818         4.170        -0.352
RESID 798 (I):       CA        63.875        63.875        63.162         0.713
RESID 798 (I):       CB        38.863        38.863        38.637         0.226
RESID 798 (I):        H         7.352         7.352         7.778        -0.426
RESID 799 (V):        N       110.552       110.552       112.985        -2.433
RESID 799 (V):       HA         4.243         4.243         4.072         0.171
RESID 799 (V):       CA        62.616        62.616        60.696         1.921
RESID 799 (V):       CB        32.416        32.416        30.739         1.677
RESID 799 (V):        H         7.648         7.648         7.896        -0.248
RESID 800 (D):        N       119.435       119.435       120.236        -0.801
RESID 800 (D):       HA         5.225         5.225         5.110         0.115
RESID 800 (D):       CA        51.715        51.715        50.053         1.662
RESID 800 (D):       CB        41.086        41.086        41.442        -0.356
RESID 800 (D):        H         8.074         8.074         7.470         0.604
RESID 801 (P):       HA         4.331         4.331         4.394        -0.063
RESID 801 (P):       CA        64.819        64.819        63.902         0.917
RESID 801 (P):       CB        31.689        31.689        32.028        -0.339
RESID 802 (N):        N       115.164       115.164       116.129        -0.965
RESID 802 (N):       HA         4.760         4.760         4.714         0.046
RESID 802 (N):       CA        52.998        52.998        52.697         0.301
RESID 802 (N):       CB        37.952        37.952        39.700        -1.748
RESID 802 (N):        H         8.949         8.949         7.647         1.302
RESID 803 (R):        N       117.446       117.446       116.195         1.251
RESID 803 (R):       HA         3.830         3.830         4.256        -0.426
RESID 803 (R):       CA        56.888        56.888        56.930        -0.042
RESID 803 (R):       CB        26.354        26.354        27.195        -0.841
RESID 803 (R):        H         7.958         7.958         7.901         0.057
RESID 804 (L):        N       123.307       123.307       116.594         6.713
RESID 804 (L):       HA         4.156         4.156         4.717        -0.561
RESID 804 (L):       CA        56.373        56.373        54.273         2.099
RESID 804 (L):       CB        42.930        42.930        41.669         1.261
RESID 804 (L):        H        10.591        10.591         8.179         2.412
RESID 805 (G):        N       110.516       110.516       107.703         2.813
RESID 805 (G):       CA        44.944        44.944        45.737        -0.793
RESID 805 (G):        H        11.001        11.001         8.426         2.575
RESID 806 (V):        N       109.840       109.840       114.187        -4.347
RESID 806 (V):       HA         4.571         4.571         4.355         0.216
RESID 806 (V):       CA        58.566        58.566        59.396        -0.830
RESID 806 (V):       CB        36.853        36.853        35.087         1.766
RESID 806 (V):        H         6.831         6.831         7.053        -0.222
RESID 807 (V):        N       122.184       122.184       122.094         0.090
RESID 807 (V):       HA         4.167         4.167         4.391        -0.224
RESID 807 (V):       CA        61.644        61.644        60.413         1.231
RESID 807 (V):       CB        32.383        32.383        30.974         1.409
RESID 807 (V):        H         9.007         9.007         8.800         0.207
RESID 808 (T):        N       117.391       117.391       116.652         0.739
RESID 808 (T):       HA         4.593         4.593         4.700        -0.107
RESID 808 (T):       CA        60.615        60.615        58.824         1.791
RESID 808 (T):       CB        70.695        70.695        71.257        -0.562
RESID 808 (T):        H         7.925         7.925         7.513         0.412
RESID 809 (F):        N       122.236       122.236       118.704         3.532
RESID 809 (F):       HA         3.640         3.640         4.448        -0.808
RESID 809 (F):       CA        61.749        61.749        61.456         0.293
RESID 809 (F):       CB        38.177        38.177        37.509         0.668
RESID 809 (F):        H         9.349         9.349         8.376         0.973
RESID 810 (Q):        N       116.788       116.788       117.346        -0.558
RESID 810 (Q):       HA         3.598         3.598         4.195        -0.597
RESID 810 (Q):       CA        58.582        58.582        57.870         0.712
RESID 810 (Q):       CB        28.199        28.199        28.456        -0.258
RESID 810 (Q):        H         8.572         8.572         7.819         0.753
RESID 811 (A):        N       121.208       121.208       122.202        -0.994
RESID 811 (A):       HA         4.119         4.119         4.173        -0.054
RESID 811 (A):       CA        54.911        54.911        53.827         1.084
RESID 811 (A):       CB        19.265        19.265        18.743         0.522
RESID 811 (A):        H         7.667         7.667         7.648         0.019
RESID 812 (F):        N       119.805       119.805       118.846         0.959
RESID 812 (F):       HA         3.980         3.980         4.382        -0.402
RESID 812 (F):       CA        61.740        61.740        62.102        -0.362
RESID 812 (F):       CB        39.670        39.670        38.741         0.929
RESID 812 (F):        H         8.400         8.400         8.354         0.046
RESID 813 (I):        N       118.098       118.098       118.547        -0.449
RESID 813 (I):       HA         3.146         3.146         4.024        -0.878
RESID 813 (I):       CA        63.299        63.299        62.507         0.792
RESID 813 (I):       CB        36.202        36.202        36.374        -0.172
RESID 813 (I):        H         8.364         8.364         7.810         0.554
RESID 814 (D):        N       123.528       123.528       120.564         2.964
RESID 814 (D):       HA         4.196         4.196         4.362        -0.166
RESID 814 (D):       CA        57.680        57.680        57.428         0.251
RESID 814 (D):       CB        40.236        40.236        40.707        -0.471
RESID 814 (D):        H         8.221         8.221         7.852         0.369
RESID 815 (F):        N       120.584       120.584       119.480         1.104
RESID 815 (F):       HA         4.129         4.129         4.467        -0.338
RESID 815 (F):       CA        61.084        61.084        60.724         0.360
RESID 815 (F):       CB        39.698        39.698        39.609         0.089
RESID 815 (F):        H         7.887         7.887         7.832         0.055
RESID 816 (M):        N       116.960       116.960       120.361        -3.401
RESID 816 (M):       HA         3.782         3.782         4.087        -0.305
RESID 816 (M):       CA        55.662        55.662        57.212        -1.550
RESID 816 (M):       CB        30.033        30.033        31.298        -1.265
RESID 816 (M):        H         8.372         8.372         8.128         0.244
RESID 817 (S):        N       114.277       114.277       113.667         0.610
RESID 817 (S):       HA         4.194         4.194         4.358        -0.164
RESID 817 (S):       CA        60.521        60.521        60.853        -0.332
RESID 817 (S):       CB        63.185        63.185        63.241        -0.056
RESID 817 (S):        H         8.074         8.074         8.344        -0.270
RESID 818 (R):        N       121.493       121.493       119.769         1.724
RESID 818 (R):       HA         4.124         4.124         4.159        -0.035
RESID 818 (R):       CA        57.684        57.684        56.760         0.924
RESID 818 (R):       CB        30.315        30.315        29.437         0.878
RESID 818 (R):        H         7.288         7.288         8.073        -0.785
RESID 819 (E):        N       119.737       119.737       117.670         2.067
RESID 819 (E):       HA         4.101         4.101         4.135        -0.034
RESID 819 (E):       CA        57.066        57.066        58.528        -1.462
RESID 819 (E):       CB        30.491        30.491        29.050         1.441
RESID 819 (E):        H         8.045         8.045         7.748         0.297
RESID 820 (T):        N       112.128       112.128       109.156         2.972
RESID 820 (T):       HA         4.280         4.280         4.066         0.214
RESID 820 (T):       CA        62.055        62.055        62.297        -0.242
RESID 820 (T):       CB        69.828        69.828        68.935         0.893
RESID 820 (T):        H         7.760         7.760         7.388         0.372
RESID 821 (A):        N       126.098       126.098       124.222         1.876
RESID 821 (A):       HA         4.284         4.284         4.454        -0.170
RESID 821 (A):       CA        52.726        52.726        51.025         1.702
RESID 821 (A):       CB        19.304        19.304        20.872        -1.568
RESID 821 (A):        H         7.957         7.957         7.331         0.626
RESID 822 (D):        N       119.904       119.904       120.913        -1.009
RESID 822 (D):       HA         4.613         4.613         4.584         0.029
RESID 822 (D):       CA        54.335        54.335        55.352        -1.017
RESID 822 (D):       CB        41.032        41.032        41.284        -0.252
RESID 822 (D):        H         8.352         8.352         8.460        -0.108
RESID 823 (T):        N       114.142       114.142       114.877        -0.735
RESID 823 (T):       HA         4.278         4.278         4.578        -0.300
RESID 823 (T):       CA        62.117        62.117        61.161         0.956
RESID 823 (T):       CB        69.584        69.584        71.295        -1.711
RESID 823 (T):        H         8.079         8.079         8.117        -0.038
RESID 824 (D):        N       123.261       123.261       121.071         2.190
RESID 824 (D):       HA         4.657         4.657         4.630         0.027
RESID 824 (D):       CA        54.786        54.786        55.890        -1.104
RESID 824 (D):       CB        41.085        41.085        40.718         0.367
RESID 824 (D):        H         8.431         8.431         8.786        -0.355
RESID 825 (T):        N       114.932       114.932       113.929         1.003
RESID 825 (T):       HA         4.161         4.161         4.153         0.008
RESID 825 (T):       CA        63.109        63.109        64.639        -1.530
RESID 825 (T):       CB        69.455        69.455        68.268         1.187
RESID 825 (T):        H         8.155         8.155         8.634        -0.479
RESID 826 (A):        N       124.961       124.961       124.670         0.291
RESID 826 (A):       HA         4.160         4.160         4.029         0.131
RESID 826 (A):       CA        54.392        54.392        54.437        -0.045
RESID 826 (A):       CB        18.610        18.610        18.194         0.416
RESID 826 (A):        H         8.379         8.379         8.228         0.151
RESID 827 (D):        N       117.765       117.765       117.989        -0.224
RESID 827 (D):       HA         4.425         4.425         4.301         0.124
RESID 827 (D):       CA        56.051        56.051        57.171        -1.120
RESID 827 (D):       CB        40.559        40.559        40.990        -0.431
RESID 827 (D):        H         8.250         8.250         7.772         0.478
RESID 828 (Q):        N       120.523       120.523       118.219         2.304
RESID 828 (Q):       HA         4.091         4.091         4.056         0.035
RESID 828 (Q):       CA        57.814        57.814        58.265        -0.451
RESID 828 (Q):       CB        28.549        28.549        28.803        -0.254
RESID 828 (Q):        H         8.076         8.076         7.796         0.280
RESID 829 (V):        N       120.970       120.970       119.222         1.748
RESID 829 (V):       HA         3.525         3.525         3.781        -0.256
RESID 829 (V):       CA        65.194        65.194        64.019         1.175
RESID 829 (V):       CB        31.541        31.541        31.882        -0.341
RESID 829 (V):        H         8.051         8.051         7.257         0.794
RESID 830 (M):        N       119.572       119.572       118.593         0.979
RESID 830 (M):       HA         4.006         4.006         3.122         0.884
RESID 830 (M):       CA        57.977        57.977        58.430        -0.453
RESID 830 (M):       CB        31.995        31.995        31.748         0.247
RESID 830 (M):        H         8.110         8.110         8.273        -0.163
RESID 831 (A):        N       121.059       121.059       121.924        -0.865
RESID 831 (A):       HA         4.045         4.045         3.906         0.139
RESID 831 (A):       CA        54.501        54.501        54.545        -0.045
RESID 831 (A):       CB        18.067        18.067        17.694         0.373
RESID 831 (A):        H         7.836         7.836         7.608         0.228
RESID 832 (S):        N       114.256       114.256       115.420        -1.164
RESID 832 (S):       HA         4.141         4.141         4.093         0.048
RESID 832 (S):       CA        60.845        60.845        61.273        -0.428
RESID 832 (S):       CB        62.613        62.613        62.730        -0.117
RESID 832 (S):        H         7.714         7.714         7.606         0.108
RESID 833 (F):        N       121.847       121.847       121.164         0.683
RESID 833 (F):       HA         3.823         3.823         4.248        -0.425
RESID 833 (F):       CA        58.627        58.627        58.840        -0.213
RESID 833 (F):       CB        38.127        38.127        37.302         0.825
RESID 833 (F):        H         7.740         7.740         7.382         0.358
RESID 834 (K):        N       118.759       118.759       119.926        -1.167
RESID 834 (K):       HA         3.589         3.589         3.561         0.028
RESID 834 (K):       CA        59.384        59.384        58.176         1.208
RESID 834 (K):       CB        32.143        32.143        31.780         0.363
RESID 834 (K):        H         7.843         7.843         7.673         0.170
RESID 835 (I):        N       118.537       118.537       120.144        -1.607
RESID 835 (I):       HA         3.736         3.736         3.756        -0.020
RESID 835 (I):       CA        63.714        63.714        64.594        -0.879
RESID 835 (I):       CB        37.825        37.825        38.049        -0.224
RESID 835 (I):        H         7.315         7.315         7.391        -0.076
RESID 836 (L):        N       121.201       121.201       119.472         1.729
RESID 836 (L):       HA         3.955         3.955         3.870         0.085
RESID 836 (L):       CA        57.074        57.074        57.048         0.026
RESID 836 (L):       CB        42.415        42.415        42.136         0.279
RESID 836 (L):        H         7.625         7.625         8.117        -0.492
RESID 837 (A):        N       119.184       119.184       118.677         0.507
RESID 837 (A):       HA         3.895         3.895         3.966        -0.071
RESID 837 (A):       CA        53.301        53.301        53.792        -0.491
RESID 837 (A):       CB        19.338        19.338        19.278         0.060
RESID 837 (A):        H         8.099         8.099         7.718         0.381
RESID 838 (G):        N       107.030       107.030       106.581         0.449
RESID 838 (G):       CA        46.918        46.918        46.782         0.136
RESID 838 (G):        H         7.676         7.676         8.220        -0.544
RESID 839 (D):        N       122.291       122.291       124.538        -2.247
RESID 839 (D):       HA         4.477         4.477         4.755        -0.278
RESID 839 (D):       CA        54.511        54.511        53.989         0.522
RESID 839 (D):       CB        40.181        40.181        41.940        -1.759
RESID 839 (D):        H         8.704         8.704         8.177         0.527
RESID 840 (K):        N       117.582       117.582       120.680        -3.098
RESID 840 (K):       HA         4.301         4.301         4.444        -0.143
RESID 840 (K):       CA        55.780        55.780        55.794        -0.014
RESID 840 (K):       CB        33.710        33.710        33.274         0.436
RESID 840 (K):        H         7.583         7.583         7.509         0.074
RESID 841 (N):        N       116.678       116.678       116.520         0.158
RESID 841 (N):       HA         4.611         4.611         4.655        -0.044
RESID 841 (N):       CA        53.466        53.466        53.968        -0.502
RESID 841 (N):       CB        39.155        39.155        39.222        -0.067
RESID 841 (N):        H         8.693         8.693         8.997        -0.304
RESID 842 (Y):        N       112.236       112.236       114.465        -2.229
RESID 842 (Y):       HA         4.986         4.986         4.863         0.123
RESID 842 (Y):       CA        54.918        54.918        56.267        -1.349
RESID 842 (Y):       CB        40.595        40.595        40.494         0.101
RESID 842 (Y):        H         6.637         6.637         7.294        -0.657
RESID 843 (I):        N       115.475       115.475       121.342        -5.867
RESID 843 (I):       HA         4.792         4.792         4.680         0.112
RESID 843 (I):       CA        58.957        58.957        58.395         0.562
RESID 843 (I):       CB        43.009        43.009        43.041        -0.032
RESID 843 (I):        H         8.630         8.630         9.296        -0.666
RESID 844 (T):        N       117.169       117.169       118.431        -1.262
RESID 844 (T):       HA         5.370         5.370         5.180         0.190
RESID 844 (T):       CA        60.177        60.177        60.388        -0.211
RESID 844 (T):       CB        71.088        71.088        70.542         0.546
RESID 844 (T):        H         9.330         9.330         9.401        -0.071
RESID 845 (M):        N       119.860       119.860       120.158        -0.298
RESID 845 (M):       HA         3.824         3.824         4.003        -0.179
RESID 845 (M):       CA        60.321        60.321        60.534        -0.213
RESID 845 (M):       CB        33.030        33.030        32.096         0.933
RESID 845 (M):        H         8.556         8.556         8.775        -0.219
RESID 846 (D):        N       116.363       116.363       117.857        -1.494
RESID 846 (D):       HA         4.280         4.280         4.425        -0.145
RESID 846 (D):       CA        57.404        57.404        56.525         0.879
RESID 846 (D):       CB        40.584        40.584        40.633        -0.049
RESID 846 (D):        H         8.377         8.377         8.690        -0.313
RESID 847 (E):        N       120.577       120.577       118.301         2.276
RESID 847 (E):       HA         3.854         3.854         4.146        -0.292
RESID 847 (E):       CA        59.657        59.657        58.818         0.839
RESID 847 (E):       CB        29.660        29.660        30.085        -0.425
RESID 847 (E):        H         7.855         7.855         7.615         0.240
RESID 848 (L):        N       118.714       118.714       119.334        -0.620
RESID 848 (L):       HA         3.822         3.822         4.042        -0.220
RESID 848 (L):       CA        58.725        58.725        57.544         1.181
RESID 848 (L):       CB        42.457        42.457        42.021         0.436
RESID 848 (L):        H         7.849         7.849         7.561         0.288
RESID 849 (R):        N       113.972       113.972       114.997        -1.025
RESID 849 (R):       HA         3.924         3.924         4.448        -0.524
RESID 849 (R):       CA        58.595        58.595        56.714         1.881
RESID 849 (R):       CB        30.100        30.100        29.354         0.746
RESID 849 (R):        H         8.053         8.053         7.797         0.256
RESID 850 (R):        N       118.178       118.178       118.798        -0.620
RESID 850 (R):       HA         4.193         4.193         4.400        -0.207
RESID 850 (R):       CA        58.245        58.245        57.570         0.675
RESID 850 (R):       CB        31.120        31.120        31.639        -0.519
RESID 850 (R):        H         7.743         7.743         7.503         0.240
RESID 851 (E):        N       115.518       115.518       119.144        -3.626
RESID 851 (E):       HA         4.350         4.350         4.334         0.016
RESID 851 (E):       CA        56.886        56.886        57.741        -0.855
RESID 851 (E):       CB        31.590        31.590        31.074         0.516
RESID 851 (E):        H         7.596         7.596         7.794        -0.198
RESID 852 (L):        N       119.148       119.148       120.886        -1.738
RESID 852 (L):       HA         4.894         4.894         5.288        -0.394
RESID 852 (L):       CA        52.174        52.174        51.712         0.462
RESID 852 (L):       CB        42.469        42.469        41.726         0.743
RESID 852 (L):        H         7.890         7.890         7.862         0.028
RESID 853 (P):       HA         4.347         4.347         4.388        -0.041
RESID 853 (P):       CA        65.119        65.119        64.215         0.904
RESID 853 (P):       CB        31.631        31.631        30.386         1.245
RESID 854 (P):       HA         4.270         4.270         4.478        -0.208
RESID 854 (P):       CA        66.336        66.336        61.975         4.361
RESID 854 (P):       CB        32.256        32.256        33.037        -0.781
RESID 855 (D):        N       114.865       114.865       118.931        -4.066
RESID 855 (D):       HA         4.349         4.349         4.308         0.041
RESID 855 (D):       CA        56.913        56.913        57.402        -0.489
RESID 855 (D):       CB        39.244        39.244        40.279        -1.035
RESID 855 (D):        H         8.801         8.801         8.328         0.473
RESID 856 (Q):        N       121.465       121.465       118.855         2.610
RESID 856 (Q):       HA         4.199         4.199         4.297        -0.098
RESID 856 (Q):       CA        58.317        58.317        59.612        -1.295
RESID 856 (Q):       CB        29.247        29.247        28.146         1.101
RESID 856 (Q):        H         7.472         7.472         8.597        -1.125
RESID 857 (A):        N       122.805       122.805       122.516         0.289
RESID 857 (A):       HA         3.799         3.799         3.892        -0.093
RESID 857 (A):       CA        56.303        56.303        56.178         0.124
RESID 857 (A):       CB        17.944        17.944        18.253        -0.308
RESID 857 (A):        H         8.882         8.882         8.235         0.647
RESID 858 (E):        N       114.094       114.094       118.959        -4.865
RESID 858 (E):       HA         4.024         4.024         4.008         0.016
RESID 858 (E):       CA        58.682        58.682        58.789        -0.107
RESID 858 (E):       CB        28.639        28.639        28.986        -0.347
RESID 858 (E):        H         8.155         8.155         7.885         0.270
RESID 859 (Y):        N       120.665       120.665       122.194        -1.529
RESID 859 (Y):       HA         4.084         4.084         4.165        -0.081
RESID 859 (Y):       CA        61.006        61.006        60.839         0.167
RESID 859 (Y):       CB        38.687        38.687        38.151         0.536
RESID 859 (Y):        H         7.708         7.708         8.463        -0.755
RESID 860 (C):        N       115.812       115.812       118.032        -2.220
RESID 860 (C):       HA         4.158         4.158         3.308         0.850
RESID 860 (C):       CA        64.254        64.254        64.093         0.161
RESID 860 (C):       CB        27.304        27.304        26.996         0.308
RESID 860 (C):        H         8.113         8.113         7.834         0.279
RESID 861 (I):        N       120.078       120.078       119.965         0.113
RESID 861 (I):       HA         3.339         3.339         3.592        -0.253
RESID 861 (I):       CA        65.643        65.643        65.239         0.404
RESID 861 (I):       CB        38.714        38.714        37.682         1.032
RESID 861 (I):        H         8.453         8.453         8.047         0.406
RESID 862 (A):        N       116.691       116.691       122.596        -5.905
RESID 862 (A):       HA         4.209         4.209         4.031         0.178
RESID 862 (A):       CA        53.222        53.222        55.087        -1.865
RESID 862 (A):       CB        19.002        19.002        18.762         0.240
RESID 862 (A):        H         7.307         7.307         8.335        -1.028
RESID 863 (R):        N       117.226       117.226       115.961         1.265
RESID 863 (R):       HA         4.274         4.274         4.417        -0.143
RESID 863 (R):       CA        56.051        56.051        56.973        -0.922
RESID 863 (R):       CB        31.389        31.389        30.666         0.723
RESID 863 (R):        H         7.358         7.358         7.641        -0.283
RESID 864 (M):        N       117.583       117.583       118.683        -1.100
RESID 864 (M):       HA         4.561         4.561         4.404         0.157
RESID 864 (M):       CA        54.927        54.927        55.919        -0.992
RESID 864 (M):       CB        37.418        37.418        34.200         3.217
RESID 864 (M):        H         7.153         7.153         7.323        -0.170
RESID 865 (A):        N       124.643       124.643       126.459        -1.816
RESID 865 (A):       HA         3.866         3.866         4.542        -0.676
RESID 865 (A):       CA        49.194        49.194        49.970        -0.776
RESID 865 (A):       CB        18.647        18.647        18.204         0.443
RESID 865 (A):        H         8.557         8.557         8.144         0.413
RESID 866 (P):       HA         4.496         4.496         4.488         0.008
RESID 866 (P):       CA        62.724        62.724        62.854        -0.130
RESID 866 (P):       CB        31.980        31.980        30.445         1.535
RESID 867 (Y):        N       122.461       122.461       126.467        -4.006
RESID 867 (Y):       HA         4.728         4.728         4.485         0.243
RESID 867 (Y):       CA        57.096        57.096        55.987         1.109
RESID 867 (Y):       CB        39.175        39.175        37.066         2.109
RESID 867 (Y):        H         8.128         8.128         8.155        -0.026
RESID 868 (T):       HA         4.351         4.351         4.553        -0.202
RESID 868 (T):       CA        60.271        60.271        59.709         0.562
RESID 868 (T):       CB        68.737        68.737        71.692        -2.955
RESID 869 (G):       CA        44.914        44.914        45.404        -0.490
RESID 870 (P):       HA         4.329         4.329         4.487        -0.158
RESID 870 (P):       CA        64.697        64.697        63.958         0.739
RESID 870 (P):       CB        31.579        31.579        32.279        -0.700
RESID 871 (D):        N       116.207       116.207       118.359        -2.152
RESID 871 (D):       HA         4.604         4.604         4.661        -0.057
RESID 871 (D):       CA        52.749        52.749        54.580        -1.831
RESID 871 (D):       CB        38.929        38.929        40.931        -2.002
RESID 871 (D):        H         9.267         9.267         8.651         0.616
RESID 872 (S):        N       112.349       112.349       114.915        -2.566
RESID 872 (S):       HA         3.497         3.497         4.494        -0.997
RESID 872 (S):       CA        59.065        59.065        57.731         1.334
RESID 872 (S):       CB        63.125        63.125        65.390        -2.265
RESID 872 (S):        H         7.487         7.487         7.207         0.280
RESID 873 (V):        N       113.567       113.567       115.599        -2.032
RESID 873 (V):       HA         4.729         4.729         4.506         0.223
RESID 873 (V):       CA        58.044        58.044        58.388        -0.344
RESID 873 (V):       CB        32.911        32.911        32.086         0.825
RESID 873 (V):        H         6.411         6.411         8.115        -1.704
RESID 874 (P):       HA         4.296         4.296         4.407        -0.111
RESID 874 (P):       CA        64.335        64.335        63.337         0.998
RESID 874 (P):       CB        31.515        31.515        31.513         0.002
RESID 875 (G):        N       112.118       112.118       111.548         0.570
RESID 875 (G):       CA        45.557        45.557        45.090         0.467
RESID 875 (G):        H         8.800         8.800         8.502         0.298
RESID 876 (A):        N       120.262       120.262       123.375        -3.113
RESID 876 (A):       HA         4.100         4.100         5.508        -1.408
RESID 876 (A):       CA        53.073        53.073        50.547         2.526
RESID 876 (A):       CB        20.508        20.508        22.045        -1.537
RESID 876 (A):        H         7.762         7.762         7.667         0.095
RESID 877 (L):        N       125.695       125.695       120.737         4.958
RESID 877 (L):       HA         4.776         4.776         5.128        -0.352
RESID 877 (L):       CA        54.269        54.269        53.662         0.607
RESID 877 (L):       CB        44.799        44.799        46.952        -2.153
RESID 877 (L):        H         9.595         9.595         9.268         0.327
RESID 878 (D):        N       119.823       119.823       121.919        -2.096
RESID 878 (D):       HA         4.879         4.879         4.607         0.272
RESID 878 (D):       CA        51.997        51.997        52.762        -0.765
RESID 878 (D):       CB        40.781        40.781        41.543        -0.762
RESID 878 (D):        H         9.031         9.031         7.771         1.260
RESID 879 (Y):        N       126.556       126.556       123.621         2.935
RESID 879 (Y):       HA         4.591         4.591         4.320         0.271
RESID 879 (Y):       CA        59.396        59.396        60.197        -0.801
RESID 879 (Y):       CB        37.321        37.321        37.773        -0.452
RESID 879 (Y):        H         7.456         7.456         8.071        -0.615
RESID 880 (M):        N       119.958       119.958       115.096         4.862
RESID 880 (M):       HA         4.605         4.605         4.823        -0.218
RESID 880 (M):       CA        56.044        56.044        57.445        -1.401
RESID 880 (M):       CB        30.101        30.101        33.310        -3.209
RESID 880 (M):        H         7.627         7.627         7.430         0.197
RESID 881 (S):        N       114.328       114.328       115.975        -1.647
RESID 881 (S):       HA         4.471         4.471         4.587        -0.116
RESID 881 (S):       CA        58.917        58.917        57.472         1.444
RESID 881 (S):       CB        64.447        64.447        63.580         0.867
RESID 881 (S):        H         7.726         7.726         8.236        -0.510
RESID 882 (F):        N       122.735       122.735       119.558         3.177
RESID 882 (F):       HA         4.722         4.722         4.369         0.353
RESID 882 (F):       CA        59.231        59.231        57.439         1.792
RESID 882 (F):       CB        40.285        40.285        39.182         1.103
RESID 882 (F):        H         7.385         7.385         7.389        -0.004
RESID 883 (S):        N       120.156       120.156       116.251         3.905
RESID 883 (S):       HA         4.299         4.299         4.381        -0.082
RESID 883 (S):       CA        57.280        57.280        57.965        -0.685
RESID 883 (S):       CB        64.601        64.601        63.726         0.875
RESID 883 (S):        H         7.472         7.472         8.483        -1.011
RESID 884 (T):        N       110.683       110.683       120.651        -9.968
RESID 884 (T):       HA         3.966         3.966         4.275        -0.309
RESID 884 (T):       CA        63.465        63.465        63.149         0.316
RESID 884 (T):       CB        68.899        68.899        68.356         0.543
RESID 884 (T):        H         7.996         7.996         8.432        -0.436
RESID 885 (A):        N       125.456       125.456       122.720         2.736
RESID 885 (A):       HA         4.236         4.236         4.557        -0.321
RESID 885 (A):       CA        52.030        52.030        51.020         1.010
RESID 885 (A):       CB        19.225        19.225        19.311        -0.087
RESID 885 (A):        H         7.905         7.905         7.394         0.511
RESID 886 (L):        N       120.638       120.638       117.904         2.734
RESID 886 (L):       HA         4.002         4.002         3.772         0.230
RESID 886 (L):       CA        55.462        55.462        56.140        -0.678
RESID 886 (L):       CB        42.265        42.265        40.842         1.423
RESID 886 (L):        H         8.079         8.079         7.343         0.736
RESID 887 (Y):        N       121.526       121.526       118.076         3.450
RESID 887 (Y):       HA         4.356         4.356         4.639        -0.283
RESID 887 (Y):       CA        58.750        58.750        59.296        -0.546
RESID 887 (Y):       CB        38.569        38.569        38.495         0.074
RESID 887 (Y):        H         8.267         8.267         7.856         0.411
RESID 888 (G):        N       112.379       112.379       106.541         5.838
RESID 888 (G):       CA        45.090        45.090        45.062         0.028
RESID 888 (G):        H         8.087         8.087         8.010         0.077
RESID 889 (E):        N       120.255       120.255       122.428        -2.173
RESID 889 (E):       HA         4.256         4.256         4.536        -0.280
RESID 889 (E):       CA        56.445        56.445        55.106         1.339
RESID 889 (E):       CB        30.393        30.393        28.065         2.328
RESID 889 (E):        H         7.994         7.994         7.942         0.052
RESID 890 (S):        N       116.375       116.375       114.669         1.706
RESID 890 (S):       HA         4.415         4.415         4.606        -0.191
RESID 890 (S):       CA        58.204        58.204        57.645         0.559
RESID 890 (S):       CB        63.913        63.913        65.316        -1.403
RESID 890 (S):        H         8.329         8.329         7.619         0.710
RESID 891 (D):        N       123.017       123.017       120.180         2.837
RESID 891 (D):       HA         4.610         4.610         4.488         0.122
RESID 891 (D):       CA        54.371        54.371        54.856        -0.485
RESID 891 (D):       CB        41.013        41.013        39.932         1.081
RESID 891 (D):        H         8.394         8.394         8.336         0.058

                         N          HA           C          CA          CB           H
RESID 743 (I):      -0.253       0.348       -----      -1.730       0.584      -0.117
RESID 744 (S):       2.295      -0.113       -----       0.623       0.443       0.360
RESID 745 (Q):      -2.453      -0.154       -----      -0.420      -0.199       0.047
RESID 746 (E):      -1.023      -0.129       -----       1.275      -0.621       0.905
RESID 747 (Q):       0.260      -0.631       -----      -0.560       0.733      -0.607
RESID 748 (M):       3.774      -0.247       -----      -1.177      -1.450       0.204
RESID 749 (N):      -0.872      -0.009       -----      -0.272      -1.287       0.664
RESID 750 (E):       3.448       0.044       -----       0.904      -0.428      -0.583
RESID 751 (F):      -3.001       0.635       -----      -1.280      -1.633       0.063
RESID 752 (R):       0.331       0.207       -----       1.387       1.335       0.939
RESID 753 (A):      -1.579      -0.238       -----       0.792      -0.072       0.257
RESID 754 (S):       0.302       0.167       -----       2.007       0.886       0.551
RESID 755 (F):       3.537      -0.265       -----       3.024       1.582       1.027
RESID 756 (N):       0.547       0.317       -----       3.342      -1.079       0.997
RESID 757 (H):      -1.281      -0.193       -----       0.883      -0.314       0.505
RESID 758 (F):      -3.730      -0.343       -----       2.607      -1.621       0.125
RESID 759 (D):      -0.711       0.052       -----      -2.745      -2.971      -0.662
RESID 760 (R):      -0.839      -0.299       -----      -0.451      -0.409      -0.506
RESID 761 (D):      -0.003      -0.220       -----      -1.531      -1.239      -0.259
RESID 762 (H):      -1.641      -0.066       -----      -0.396      -2.533      -0.137
RESID 763 (S):       1.199      -0.017       -----      -0.043       1.126      -0.073
RESID 764 (G):       6.599       -----       -----      -0.114       -----       2.165
RESID 765 (T):      -3.359      -0.363       -----      -2.024       1.404      -0.316
RESID 766 (L):       0.531       0.235       -----      -1.363      -0.386       0.481
RESID 767 (G):      -0.205       -----       -----       0.154       -----      -0.082
RESID 768 (P):       -----      -0.240       -----       0.899      -0.187       -----
RESID 769 (E):      -2.448      -0.062       -----       0.760      -0.544      -0.357
RESID 770 (E):       2.728       0.095       -----      -0.115       1.572      -0.644
RESID 771 (F):      -4.260       0.079       -----      -2.023      -0.631       0.226
RESID 772 (K):       1.297      -0.323       -----       2.380       1.162       0.537
RESID 773 (A):      -2.244      -0.123       -----       1.184      -1.221      -0.224
RESID 774 (C):       1.632      -0.440       -----      -0.236      -0.094      -0.220
RESID 775 (L):       0.556       0.225       -----       1.765      -0.029       0.809
RESID 776 (I):       2.707       1.572       -----       1.064       0.821       1.709
RESID 777 (S):       5.153       0.074       -----       1.396      -0.057       0.499
RESID 778 (L):       3.975       0.117       -----       1.206       0.146       0.575
RESID 779 (G):      -0.932       -----       -----       0.246       -----       0.684
RESID 780 (Y):       2.987      -0.410       -----       4.197      -0.178       0.697
RESID 781 (D):       6.472       0.005       -----      -0.858      -0.770      -0.256
RESID 782 (I):       9.072      -0.017       -----      -0.097      -2.230       0.431
RESID 783 (G):       5.393       -----       -----       0.249       -----       0.135
RESID 784 (N):      -1.078       0.153       -----      -0.650      -0.645      -0.191
RESID 785 (D):      -0.780      -0.309       -----       0.912      -3.160       0.142
RESID 786 (P):       -----      -0.150       -----       1.497      -0.061       -----
RESID 787 (Q):       0.343      -0.113       -----       1.034      -1.383      -0.328
RESID 788 (G):       5.106       -----       -----       0.520       -----      -0.198
RESID 789 (E):       0.003      -0.151       -----      -0.050       0.014       0.281
RESID 790 (A):       0.372       0.057       -----      -0.216      -0.652       0.416
RESID 791 (E):       3.467       0.567       -----      -0.333      -0.389       0.503
RESID 792 (F):      -1.243      -0.206       -----       0.814       0.112      -0.160
RESID 793 (A):      -1.979       0.530       -----       0.508      -0.191       0.439
RESID 794 (R):       1.664      -0.079       -----       0.319      -0.093       0.378
RESID 795 (I):       0.992      -0.343       -----       0.508      -0.115      -0.012
RESID 796 (M):       0.410       0.207       -----      -1.410      -1.581       0.313
RESID 797 (S):       1.350      -0.139       -----       1.053      -0.632       0.199
RESID 798 (I):       4.309      -0.352       -----       0.713       0.226      -0.426
RESID 799 (V):      -2.433       0.171       -----       1.921       1.677      -0.248
RESID 800 (D):      -0.801       0.115       -----       1.662      -0.356       0.604
RESID 801 (P):       -----      -0.063       -----       0.917      -0.339       -----
RESID 802 (N):      -0.965       0.046       -----       0.301      -1.748       1.302
RESID 803 (R):       1.251      -0.426       -----      -0.042      -0.841       0.057
RESID 804 (L):       6.713      -0.561       -----       2.099       1.261       2.412
RESID 805 (G):       2.813       -----       -----      -0.793       -----       2.575
RESID 806 (V):      -4.347       0.216       -----      -0.830       1.766      -0.222
RESID 807 (V):       0.090      -0.224       -----       1.231       1.409       0.207
RESID 808 (T):       0.739      -0.107       -----       1.791      -0.562       0.412
RESID 809 (F):       3.532      -0.808       -----       0.293       0.668       0.973
RESID 810 (Q):      -0.558      -0.597       -----       0.712      -0.258       0.753
RESID 811 (A):      -0.994      -0.054       -----       1.084       0.522       0.019
RESID 812 (F):       0.959      -0.402       -----      -0.362       0.929       0.046
RESID 813 (I):      -0.449      -0.878       -----       0.792      -0.172       0.554
RESID 814 (D):       2.964      -0.166       -----       0.251      -0.471       0.369
RESID 815 (F):       1.104      -0.338       -----       0.360       0.089       0.055
RESID 816 (M):      -3.401      -0.305       -----      -1.550      -1.265       0.244
RESID 817 (S):       0.610      -0.164       -----      -0.332      -0.056      -0.270
RESID 818 (R):       1.724      -0.035       -----       0.924       0.878      -0.785
RESID 819 (E):       2.067      -0.034       -----      -1.462       1.441       0.297
RESID 820 (T):       2.972       0.214       -----      -0.242       0.893       0.372
RESID 821 (A):       1.876      -0.170       -----       1.702      -1.568       0.626
RESID 822 (D):      -1.009       0.029       -----      -1.017      -0.252      -0.108
RESID 823 (T):      -0.735      -0.300       -----       0.956      -1.711      -0.038
RESID 824 (D):       2.190       0.027       -----      -1.104       0.367      -0.355
RESID 825 (T):       1.003       0.008       -----      -1.530       1.187      -0.479
RESID 826 (A):       0.291       0.131       -----      -0.045       0.416       0.151
RESID 827 (D):      -0.224       0.124       -----      -1.120      -0.431       0.478
RESID 828 (Q):       2.304       0.035       -----      -0.451      -0.254       0.280
RESID 829 (V):       1.748      -0.256       -----       1.175      -0.341       0.794
RESID 830 (M):       0.979       0.884       -----      -0.453       0.247      -0.163
RESID 831 (A):      -0.865       0.139       -----      -0.045       0.373       0.228
RESID 832 (S):      -1.164       0.048       -----      -0.428      -0.117       0.108
RESID 833 (F):       0.683      -0.425       -----      -0.213       0.825       0.358
RESID 834 (K):      -1.167       0.028       -----       1.208       0.363       0.170
RESID 835 (I):      -1.607      -0.020       -----      -0.879      -0.224      -0.076
RESID 836 (L):       1.729       0.085       -----       0.026       0.279      -0.492
RESID 837 (A):       0.507      -0.071       -----      -0.491       0.060       0.381
RESID 838 (G):       0.449       -----       -----       0.136       -----      -0.544
RESID 839 (D):      -2.247      -0.278       -----       0.522      -1.759       0.527
RESID 840 (K):      -3.098      -0.143       -----      -0.014       0.436       0.074
RESID 841 (N):       0.158      -0.044       -----      -0.502      -0.067      -0.304
RESID 842 (Y):      -2.229       0.123       -----      -1.349       0.101      -0.657
RESID 843 (I):      -5.867       0.112       -----       0.562      -0.032      -0.666
RESID 844 (T):      -1.262       0.190       -----      -0.211       0.546      -0.071
RESID 845 (M):      -0.298      -0.179       -----      -0.213       0.933      -0.219
RESID 846 (D):      -1.494      -0.145       -----       0.879      -0.049      -0.313
RESID 847 (E):       2.276      -0.292       -----       0.839      -0.425       0.240
RESID 848 (L):      -0.620      -0.220       -----       1.181       0.436       0.288
RESID 849 (R):      -1.025      -0.524       -----       1.881       0.746       0.256
RESID 850 (R):      -0.620      -0.207       -----       0.675      -0.519       0.240
RESID 851 (E):      -3.626       0.016       -----      -0.855       0.516      -0.198
RESID 852 (L):      -1.738      -0.394       -----       0.462       0.743       0.028
RESID 853 (P):       -----      -0.041       -----       0.904       1.245       -----
RESID 854 (P):       -----      -0.208       -----       4.361      -0.781       -----
RESID 855 (D):      -4.066       0.041       -----      -0.489      -1.035       0.473
RESID 856 (Q):       2.610      -0.098       -----      -1.295       1.101      -1.125
RESID 857 (A):       0.289      -0.093       -----       0.124      -0.308       0.647
RESID 858 (E):      -4.865       0.016       -----      -0.107      -0.347       0.270
RESID 859 (Y):      -1.529      -0.081       -----       0.167       0.536      -0.755
RESID 860 (C):      -2.220       0.850       -----       0.161       0.308       0.279
RESID 861 (I):       0.113      -0.253       -----       0.404       1.032       0.406
RESID 862 (A):      -5.905       0.178       -----      -1.865       0.240      -1.028
RESID 863 (R):       1.265      -0.143       -----      -0.922       0.723      -0.283
RESID 864 (M):      -1.100       0.157       -----      -0.992       3.217      -0.170
RESID 865 (A):      -1.816      -0.676       -----      -0.776       0.443       0.413
RESID 866 (P):       -----       0.008       -----      -0.130       1.535       -----
RESID 867 (Y):      -4.006       0.243       -----       1.109       2.109      -0.026
RESID 868 (T):       -----      -0.202       -----       0.562      -2.955       -----
RESID 869 (G):       -----       -----       -----      -0.490       -----       -----
RESID 870 (P):       -----      -0.158       -----       0.739      -0.700       -----
RESID 871 (D):      -2.152      -0.057       -----      -1.831      -2.002       0.616
RESID 872 (S):      -2.566      -0.997       -----       1.334      -2.265       0.280
RESID 873 (V):      -2.032       0.223       -----      -0.344       0.825      -1.704
RESID 874 (P):       -----      -0.111       -----       0.998       0.002       -----
RESID 875 (G):       0.570       -----       -----       0.467       -----       0.298
RESID 876 (A):      -3.113      -1.408       -----       2.526      -1.537       0.095
RESID 877 (L):       4.958      -0.352       -----       0.607      -2.153       0.327
RESID 878 (D):      -2.096       0.272       -----      -0.765      -0.762       1.260
RESID 879 (Y):       2.935       0.271       -----      -0.801      -0.452      -0.615
RESID 880 (M):       4.862      -0.218       -----      -1.401      -3.209       0.197
RESID 881 (S):      -1.647      -0.116       -----       1.444       0.867      -0.510
RESID 882 (F):       3.177       0.353       -----       1.792       1.103      -0.004
RESID 883 (S):       3.905      -0.082       -----      -0.685       0.875      -1.011
RESID 884 (T):      -9.968      -0.309       -----       0.316       0.543      -0.436
RESID 885 (A):       2.736      -0.321       -----       1.010      -0.087       0.511
RESID 886 (L):       2.734       0.230       -----      -0.678       1.423       0.736
RESID 887 (Y):       3.450      -0.283       -----      -0.546       0.074       0.411
RESID 888 (G):       5.838       -----       -----       0.028       -----       0.077
RESID 889 (E):      -2.173      -0.280       -----       1.339       2.328       0.052
RESID 890 (S):       1.706      -0.191       -----       0.559      -1.403       0.710
RESID 891 (D):       2.837       0.122       -----      -0.485       1.081       0.058

DATA CS_STAT_INFO  N  RMS:   2.828 ppm Count: 139 Average Difference: -0.277 +/- 2.825 ppm
DATA CS_STAT_INFO  HA RMS:   0.350 ppm Count: 160 Average Difference:  0.045 +/- 0.348 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   1.217 ppm Count: 150 Average Difference: -0.227 +/- 1.200 ppm
DATA CS_STAT_INFO  CB RMS:   1.129 ppm Count: 140 Average Difference:  0.069 +/- 1.131 ppm
DATA CS_STAT_INFO  HN RMS:   0.624 ppm Count: 139 Average Difference: -0.163 +/- 0.604 ppm


############################################################################
For conformer 2:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 742 (S):       HA         4.525         4.525         4.489         0.036
RESID 742 (S):       CA        58.148        58.148        59.687        -1.539
RESID 742 (S):       CB        63.791        63.791        63.695         0.096
RESID 743 (I):        N       122.172       122.172       122.260        -0.088
RESID 743 (I):       HA         4.362         4.362         4.061         0.301
RESID 743 (I):       CA        60.421        60.421        61.824        -1.403
RESID 743 (I):       CB        39.166        39.166        39.010         0.156
RESID 743 (I):        H         8.132         8.132         7.425         0.707
RESID 744 (S):        N       123.144       123.144       121.193         1.951
RESID 744 (S):       HA         4.449         4.449         4.612        -0.163
RESID 744 (S):       CA        57.463        57.463        56.593         0.870
RESID 744 (S):       CB        65.219        65.219        64.600         0.619
RESID 744 (S):        H         8.848         8.848         8.588         0.260
RESID 745 (Q):        N       121.619       121.619       122.500        -0.881
RESID 745 (Q):       HA         3.952         3.952         4.157        -0.205
RESID 745 (Q):       CA        58.768        58.768        58.969        -0.201
RESID 745 (Q):       CB        28.512        28.512        28.844        -0.332
RESID 745 (Q):        H         9.042         9.042         9.000         0.042
RESID 746 (E):        N       118.648       118.648       119.913        -1.265
RESID 746 (E):       HA         4.004         4.004         4.143        -0.139
RESID 746 (E):       CA        60.223        60.223        59.551         0.672
RESID 746 (E):       CB        28.854        28.854        29.038        -0.183
RESID 746 (E):        H         8.721         8.721         7.655         1.066
RESID 747 (Q):        N       120.463       120.463       119.674         0.789
RESID 747 (Q):       HA         3.766         3.766         4.367        -0.601
RESID 747 (Q):       CA        58.306        58.306        58.852        -0.546
RESID 747 (Q):       CB        28.948        28.948        28.150         0.798
RESID 747 (Q):        H         7.838         7.838         8.570        -0.732
RESID 748 (M):        N       119.252       119.252       115.227         4.025
RESID 748 (M):       HA         4.200         4.200         4.465        -0.265
RESID 748 (M):       CA        58.096        58.096        59.082        -0.986
RESID 748 (M):       CB        30.900        30.900        32.329        -1.429
RESID 748 (M):        H         8.473         8.473         8.095         0.378
RESID 749 (N):        N       117.740       117.740       118.725        -0.985
RESID 749 (N):       HA         4.474         4.474         4.498        -0.024
RESID 749 (N):       CA        55.795        55.795        56.125        -0.330
RESID 749 (N):       CB        37.413        37.413        38.847        -1.434
RESID 749 (N):        H         8.334         8.334         7.811         0.523
RESID 750 (E):        N       122.848       122.848       119.384         3.464
RESID 750 (E):       HA         4.204         4.204         4.161         0.043
RESID 750 (E):       CA        59.341        59.341        58.477         0.864
RESID 750 (E):       CB        29.184        29.184        29.594        -0.410
RESID 750 (E):        H         7.838         7.838         8.462        -0.624
RESID 751 (F):        N       120.177       120.177       123.155        -2.978
RESID 751 (F):       HA         5.021         5.021         4.390         0.631
RESID 751 (F):       CA        58.353        58.353        59.755        -1.402
RESID 751 (F):       CB        37.797        37.797        39.463        -1.666
RESID 751 (F):        H         8.785         8.785         8.768         0.017
RESID 752 (R):        N       120.528       120.528       120.228         0.300
RESID 752 (R):       HA         4.160         4.160         3.972         0.188
RESID 752 (R):       CA        59.704        59.704        58.286         1.418
RESID 752 (R):       CB        29.968        29.968        28.610         1.358
RESID 752 (R):        H         9.016         9.016         8.063         0.953
RESID 753 (A):        N       121.112       121.112       122.537        -1.425
RESID 753 (A):       HA         4.245         4.245         4.435        -0.190
RESID 753 (A):       CA        55.331        55.331        54.537         0.794
RESID 753 (A):       CB        17.823        17.823        17.841        -0.018
RESID 753 (A):        H         8.100         8.100         7.865         0.235
RESID 754 (S):        N       115.589       115.589       114.905         0.684
RESID 754 (S):       HA         4.452         4.452         4.208         0.244
RESID 754 (S):       CA        62.675        62.675        59.721         2.954
RESID 754 (S):       CB        63.359        63.359        62.554         0.805
RESID 754 (S):        H         8.391         8.391         7.824         0.567
RESID 755 (F):        N       121.886       121.886       118.657         3.229
RESID 755 (F):       HA         3.642         3.642         3.859        -0.217
RESID 755 (F):       CA        61.964        61.964        58.836         3.128
RESID 755 (F):       CB        39.822        39.822        38.547         1.275
RESID 755 (F):        H         8.675         8.675         7.609         1.066
RESID 756 (N):        N       113.618       113.618       113.301         0.317
RESID 756 (N):       HA         4.427         4.427         4.096         0.331
RESID 756 (N):       CA        55.611        55.611        52.130         3.481
RESID 756 (N):       CB        37.838        37.838        39.087        -1.249
RESID 756 (N):        H         8.593         8.593         7.644         0.949
RESID 757 (H):        N       119.679       119.679       121.981        -2.302
RESID 757 (H):       HA         4.079         4.079         4.286        -0.207
RESID 757 (H):       CA        59.344        59.344        58.827         0.517
RESID 757 (H):       CB        29.889        29.889        29.919        -0.030
RESID 757 (H):        H         8.139         8.139         7.675         0.464
RESID 758 (F):        N       113.051       113.051       116.761        -3.710
RESID 758 (F):       HA         4.061         4.061         4.387        -0.326
RESID 758 (F):       CA        60.697        60.697        58.065         2.632
RESID 758 (F):       CB        38.735        38.735        40.371        -1.636
RESID 758 (F):        H         7.585         7.585         7.420         0.165
RESID 759 (D):        N       120.916       120.916       121.489        -0.573
RESID 759 (D):       HA         4.509         4.509         4.432         0.077
RESID 759 (D):       CA        52.171        52.171        54.856        -2.685
RESID 759 (D):       CB        38.009        38.009        40.511        -2.502
RESID 759 (D):        H         7.423         7.423         7.895        -0.472
RESID 760 (R):        N       124.819       124.819       125.508        -0.689
RESID 760 (R):       HA         3.768         3.768         4.068        -0.300
RESID 760 (R):       CA        58.275        58.275        58.717        -0.442
RESID 760 (R):       CB        30.249        30.249        30.632        -0.383
RESID 760 (R):        H         7.781         7.781         8.311        -0.530
RESID 761 (D):        N       113.673       113.673       113.824        -0.151
RESID 761 (D):       HA         4.483         4.483         4.709        -0.226
RESID 761 (D):       CA        51.977        51.977        53.450        -1.472
RESID 761 (D):       CB        39.522        39.522        40.654        -1.131
RESID 761 (D):        H         7.821         7.821         8.070        -0.249
RESID 762 (H):        N       114.966       114.966       116.643        -1.677
RESID 762 (H):       HA         4.161         4.161         4.233        -0.072
RESID 762 (H):       CA        56.618        56.618        56.997        -0.379
RESID 762 (H):       CB        26.380        26.380        28.897        -2.517
RESID 762 (H):        H         7.744         7.744         7.862        -0.118
RESID 763 (S):        N       115.077       115.077       113.857         1.220
RESID 763 (S):       HA         4.336         4.336         4.357        -0.021
RESID 763 (S):       CA        59.860        59.860        59.857         0.003
RESID 763 (S):       CB        65.192        65.192        64.036         1.156
RESID 763 (S):        H         8.726         8.726         8.710         0.016
RESID 764 (G):        N       116.915       116.915       110.518         6.397
RESID 764 (G):       CA        45.449        45.449        45.418         0.031
RESID 764 (G):        H        11.017        11.017         8.826         2.191
RESID 765 (T):        N       107.334       107.334       110.120        -2.786
RESID 765 (T):       HA         4.829         4.829         5.179        -0.350
RESID 765 (T):       CA        58.759        58.759        60.122        -1.363
RESID 765 (T):       CB        73.383        73.383        72.165         1.218
RESID 765 (T):        H         7.693         7.693         7.980        -0.287
RESID 766 (L):        N       124.664       124.664       124.192         0.472
RESID 766 (L):       HA         4.900         4.900         4.644         0.256
RESID 766 (L):       CA        52.339        52.339        53.799        -1.460
RESID 766 (L):       CB        42.339        42.339        42.869        -0.530
RESID 766 (L):        H         9.209         9.209         8.792         0.417
RESID 767 (G):        N       112.024       112.024       112.076        -0.052
RESID 767 (G):       CA        44.123        44.123        43.857         0.266
RESID 767 (G):        H         8.910         8.910         8.985        -0.075
RESID 768 (P):       HA         4.318         4.318         4.550        -0.232
RESID 768 (P):       CA        67.127        67.127        66.231         0.896
RESID 768 (P):       CB        32.029        32.029        32.099        -0.070
RESID 769 (E):        N       115.246       115.246       117.065        -1.819
RESID 769 (E):       HA         3.971         3.971         4.105        -0.134
RESID 769 (E):       CA        59.621        59.621        58.479         1.142
RESID 769 (E):       CB        28.628        28.628        28.995        -0.367
RESID 769 (E):        H         8.622         8.622         9.022        -0.400
RESID 770 (E):        N       121.127       121.127       117.976         3.151
RESID 770 (E):       HA         4.272         4.272         4.211         0.061
RESID 770 (E):       CA        58.497        58.497        58.416         0.081
RESID 770 (E):       CB        31.372        31.372        29.924         1.448
RESID 770 (E):        H         7.493         7.493         8.084        -0.591
RESID 771 (F):        N       117.688       117.688       122.049        -4.361
RESID 771 (F):       HA         4.355         4.355         4.255         0.100
RESID 771 (F):       CA        58.625        58.625        60.669        -2.044
RESID 771 (F):       CB        38.810        38.810        39.448        -0.638
RESID 771 (F):        H         9.110         9.110         8.916         0.194
RESID 772 (K):        N       119.789       119.789       118.340         1.449
RESID 772 (K):       HA         3.313         3.313         3.580        -0.267
RESID 772 (K):       CA        60.672        60.672        58.327         2.345
RESID 772 (K):       CB        31.979        31.979        30.756         1.223
RESID 772 (K):        H         8.594         8.594         8.029         0.565
RESID 773 (A):        N       118.461       118.461       120.295        -1.834
RESID 773 (A):       HA         3.881         3.881         3.973        -0.092
RESID 773 (A):       CA        55.013        55.013        53.608         1.405
RESID 773 (A):       CB        17.629        17.629        18.996        -1.367
RESID 773 (A):        H         7.231         7.231         7.397        -0.166
RESID 774 (C):        N       120.913       120.913       118.809         2.104
RESID 774 (C):       HA         2.435         2.435         3.027        -0.592
RESID 774 (C):       CA        61.174        61.174        62.051        -0.877
RESID 774 (C):       CB        26.215        26.215        27.526        -1.311
RESID 774 (C):        H         7.498         7.498         7.521        -0.023
RESID 775 (L):        N       119.201       119.201       118.647         0.554
RESID 775 (L):       HA         3.766         3.766         3.563         0.203
RESID 775 (L):       CA        57.932        57.932        56.206         1.726
RESID 775 (L):       CB        40.950        40.950        41.178        -0.228
RESID 775 (L):        H         8.372         8.372         7.478         0.894
RESID 776 (I):        N       121.051       121.051       118.483         2.568
RESID 776 (I):       HA         4.090         4.090         2.512         1.578
RESID 776 (I):       CA        65.244        65.244        64.055         1.189
RESID 776 (I):       CB        37.991        37.991        37.175         0.816
RESID 776 (I):        H         8.358         8.358         6.634         1.724
RESID 777 (S):        N       119.109       119.109       114.057         5.052
RESID 777 (S):       HA         4.291         4.291         4.139         0.152
RESID 777 (S):       CA        61.725        61.725        60.078         1.647
RESID 777 (S):       CB        62.995        62.995        63.122        -0.127
RESID 777 (S):        H         7.822         7.822         7.261         0.561
RESID 778 (L):        N       121.208       121.208       116.705         4.503
RESID 778 (L):       HA         4.506         4.506         4.379         0.127
RESID 778 (L):       CA        54.999        54.999        53.879         1.120
RESID 778 (L):       CB        42.670        42.670        42.593         0.077
RESID 778 (L):        H         7.671         7.671         7.073         0.598
RESID 779 (G):        N       106.232       106.232       106.812        -0.580
RESID 779 (G):       CA        45.287        45.287        44.942         0.345
RESID 779 (G):        H         7.897         7.897         7.217         0.680
RESID 780 (Y):        N       120.772       120.772       117.808         2.964
RESID 780 (Y):       HA         4.142         4.142         4.611        -0.469
RESID 780 (Y):       CA        59.231        59.231        55.060         4.171
RESID 780 (Y):       CB        38.341        38.341        38.568        -0.227
RESID 780 (Y):        H         8.072         8.072         7.359         0.713
RESID 781 (D):        N       124.304       124.304       117.718         6.586
RESID 781 (D):       HA         4.665         4.665         4.659         0.006
RESID 781 (D):       CA        53.148        53.148        54.008        -0.860
RESID 781 (D):       CB        39.804        39.804        40.551        -0.747
RESID 781 (D):        H         8.862         8.862         9.104        -0.242
RESID 782 (I):        N       122.271       122.271       112.913         9.358
RESID 782 (I):       HA         4.341         4.341         4.473        -0.132
RESID 782 (I):       CA        58.992        58.992        59.046        -0.054
RESID 782 (I):       CB        37.907        37.907        40.325        -2.417
RESID 782 (I):        H         7.344         7.344         6.962         0.382
RESID 783 (G):        N       112.322       112.322       106.305         6.017
RESID 783 (G):       CA        44.523        44.523        44.469         0.054
RESID 783 (G):        H         8.122         8.122         8.127        -0.005
RESID 784 (N):        N       118.727       118.727       120.574        -1.847
RESID 784 (N):       HA         4.882         4.882         4.633         0.249
RESID 784 (N):       CA        52.098        52.098        52.850        -0.752
RESID 784 (N):       CB        37.424        37.424        38.239        -0.815
RESID 784 (N):        H         8.452         8.452         8.651        -0.199
RESID 785 (D):        N       119.826       119.826       120.691        -0.865
RESID 785 (D):       HA         4.778         4.778         5.037        -0.259
RESID 785 (D):       CA        52.164        52.164        50.746         1.418
RESID 785 (D):       CB        39.657        39.657        43.739        -4.082
RESID 785 (D):        H         8.145         8.145         8.070         0.075
RESID 786 (P):       HA         4.271         4.271         4.317        -0.046
RESID 786 (P):       CA        66.265        66.265        64.930         1.335
RESID 786 (P):       CB        32.011        32.011        32.283        -0.272
RESID 787 (Q):        N       118.097       118.097       118.105        -0.008
RESID 787 (Q):       HA         4.141         4.141         4.149        -0.009
RESID 787 (Q):       CA        59.115        59.115        58.464         0.651
RESID 787 (Q):       CB        27.732        27.732        28.728        -0.996
RESID 787 (Q):        H         8.409         8.409         9.085        -0.676
RESID 788 (G):        N       113.421       113.421       108.063         5.358
RESID 788 (G):       CA        47.317        47.317        46.745         0.572
RESID 788 (G):        H         8.644         8.644         7.855         0.789
RESID 789 (E):        N       121.223       121.223       121.316        -0.093
RESID 789 (E):       HA         4.148         4.148         4.273        -0.125
RESID 789 (E):       CA        59.344        59.344        59.352        -0.008
RESID 789 (E):       CB        29.435        29.435        29.332         0.103
RESID 789 (E):        H         8.514         8.514         8.590        -0.076
RESID 790 (A):        N       122.879       122.879       122.463         0.416
RESID 790 (A):       HA         4.247         4.247         4.179         0.068
RESID 790 (A):       CA        54.907        54.907        55.159        -0.252
RESID 790 (A):       CB        17.780        17.780        18.388        -0.608
RESID 790 (A):        H         8.024         8.024         7.614         0.410
RESID 791 (E):        N       122.622       122.622       119.029         3.593
RESID 791 (E):       HA         4.687         4.687         4.109         0.578
RESID 791 (E):       CA        58.134        58.134        58.448        -0.314
RESID 791 (E):       CB        29.061        29.061        29.411        -0.350
RESID 791 (E):        H         8.280         8.280         7.782         0.498
RESID 792 (F):        N       119.949       119.949       121.276        -1.327
RESID 792 (F):       HA         4.038         4.038         4.238        -0.200
RESID 792 (F):       CA        61.812        61.812        61.016         0.796
RESID 792 (F):       CB        38.598        38.598        38.511         0.087
RESID 792 (F):        H         8.722         8.722         8.821        -0.099
RESID 793 (A):        N       119.652       119.652       121.565        -1.913
RESID 793 (A):       HA         3.854         3.854         3.305         0.549
RESID 793 (A):       CA        54.902        54.902        54.410         0.492
RESID 793 (A):       CB        17.628        17.628        17.825        -0.197
RESID 793 (A):        H         8.163         8.163         7.849         0.314
RESID 794 (R):        N       121.092       121.092       119.364         1.728
RESID 794 (R):       HA         3.910         3.910         3.996        -0.086
RESID 794 (R):       CA        59.471        59.471        59.136         0.335
RESID 794 (R):       CB        30.092        30.092        30.026         0.066
RESID 794 (R):        H         8.034         8.034         7.685         0.349
RESID 795 (I):        N       121.394       121.394       120.960         0.434
RESID 795 (I):       HA         3.388         3.388         3.799        -0.411
RESID 795 (I):       CA        65.848        65.848        64.933         0.915
RESID 795 (I):       CB        38.209        38.209        38.282        -0.073
RESID 795 (I):        H         8.049         8.049         7.873         0.176
RESID 796 (M):        N       119.012       119.012       118.956         0.056
RESID 796 (M):       HA         4.155         4.155         3.960         0.195
RESID 796 (M):       CA        56.470        56.470        58.054        -1.584
RESID 796 (M):       CB        29.892        29.892        31.446        -1.554
RESID 796 (M):        H         8.589         8.589         8.270         0.319
RESID 797 (S):        N       114.132       114.132       112.805         1.327
RESID 797 (S):       HA         4.097         4.097         4.252        -0.155
RESID 797 (S):       CA        61.231        61.231        60.075         1.156
RESID 797 (S):       CB        62.895        62.895        63.437        -0.542
RESID 797 (S):        H         7.732         7.732         7.529         0.203
RESID 798 (I):        N       120.873       120.873       116.705         4.168
RESID 798 (I):       HA         3.818         3.818         4.127        -0.309
RESID 798 (I):       CA        63.875        63.875        63.218         0.657
RESID 798 (I):       CB        38.863        38.863        38.831         0.032
RESID 798 (I):        H         7.352         7.352         7.730        -0.378
RESID 799 (V):        N       110.552       110.552       112.395        -1.843
RESID 799 (V):       HA         4.243         4.243         4.075         0.168
RESID 799 (V):       CA        62.616        62.616        61.059         1.557
RESID 799 (V):       CB        32.416        32.416        31.353         1.063
RESID 799 (V):        H         7.648         7.648         7.851        -0.203
RESID 800 (D):        N       119.435       119.435       119.741        -0.306
RESID 800 (D):       HA         5.225         5.225         5.108         0.117
RESID 800 (D):       CA        51.715        51.715        49.914         1.801
RESID 800 (D):       CB        41.086        41.086        41.599        -0.513
RESID 800 (D):        H         8.074         8.074         7.524         0.550
RESID 801 (P):       HA         4.331         4.331         4.434        -0.103
RESID 801 (P):       CA        64.819        64.819        63.743         1.076
RESID 801 (P):       CB        31.689        31.689        32.074        -0.385
RESID 802 (N):        N       115.164       115.164       116.554        -1.390
RESID 802 (N):       HA         4.760         4.760         4.713         0.047
RESID 802 (N):       CA        52.998        52.998        52.788         0.210
RESID 802 (N):       CB        37.952        37.952        39.502        -1.550
RESID 802 (N):        H         8.949         8.949         7.733         1.216
RESID 803 (R):        N       117.446       117.446       115.728         1.718
RESID 803 (R):       HA         3.830         3.830         4.240        -0.410
RESID 803 (R):       CA        56.888        56.888        57.003        -0.115
RESID 803 (R):       CB        26.354        26.354        27.142        -0.788
RESID 803 (R):        H         7.958         7.958         7.926         0.032
RESID 804 (L):        N       123.307       123.307       116.363         6.944
RESID 804 (L):       HA         4.156         4.156         4.711        -0.555
RESID 804 (L):       CA        56.373        56.373        54.319         2.054
RESID 804 (L):       CB        42.930        42.930        41.622         1.308
RESID 804 (L):        H        10.591        10.591         8.201         2.390
RESID 805 (G):        N       110.516       110.516       107.262         3.254
RESID 805 (G):       CA        44.944        44.944        45.747        -0.803
RESID 805 (G):        H        11.001        11.001         8.554         2.447
RESID 806 (V):        N       109.840       109.840       114.966        -5.126
RESID 806 (V):       HA         4.571         4.571         4.384         0.187
RESID 806 (V):       CA        58.566        58.566        59.371        -0.805
RESID 806 (V):       CB        36.853        36.853        34.794         2.059
RESID 806 (V):        H         6.831         6.831         7.265        -0.434
RESID 807 (V):        N       122.184       122.184       122.647        -0.463
RESID 807 (V):       HA         4.167         4.167         4.481        -0.314
RESID 807 (V):       CA        61.644        61.644        61.283         0.361
RESID 807 (V):       CB        32.383        32.383        31.813         0.570
RESID 807 (V):        H         9.007         9.007         8.923         0.084
RESID 808 (T):        N       117.391       117.391       118.357        -0.966
RESID 808 (T):       HA         4.593         4.593         4.690        -0.097
RESID 808 (T):       CA        60.615        60.615        58.710         1.905
RESID 808 (T):       CB        70.695        70.695        71.329        -0.634
RESID 808 (T):        H         7.925         7.925         7.698         0.227
RESID 809 (F):        N       122.236       122.236       118.836         3.400
RESID 809 (F):       HA         3.640         3.640         4.493        -0.853
RESID 809 (F):       CA        61.749        61.749        61.410         0.339
RESID 809 (F):       CB        38.177        38.177        37.521         0.656
RESID 809 (F):        H         9.349         9.349         8.142         1.207
RESID 810 (Q):        N       116.788       116.788       116.845        -0.057
RESID 810 (Q):       HA         3.598         3.598         4.201        -0.603
RESID 810 (Q):       CA        58.582        58.582        57.903         0.679
RESID 810 (Q):       CB        28.199        28.199        28.501        -0.302
RESID 810 (Q):        H         8.572         8.572         7.861         0.711
RESID 811 (A):        N       121.208       121.208       122.038        -0.830
RESID 811 (A):       HA         4.119         4.119         4.184        -0.065
RESID 811 (A):       CA        54.911        54.911        53.797         1.114
RESID 811 (A):       CB        19.265        19.265        18.796         0.469
RESID 811 (A):        H         7.667         7.667         7.671        -0.004
RESID 812 (F):        N       119.805       119.805       118.781         1.024
RESID 812 (F):       HA         3.980         3.980         4.387        -0.407
RESID 812 (F):       CA        61.740        61.740        62.090        -0.350
RESID 812 (F):       CB        39.670        39.670        38.769         0.901
RESID 812 (F):        H         8.400         8.400         8.340         0.060
RESID 813 (I):        N       118.098       118.098       118.582        -0.484
RESID 813 (I):       HA         3.146         3.146         3.990        -0.844
RESID 813 (I):       CA        63.299        63.299        62.718         0.581
RESID 813 (I):       CB        36.202        36.202        36.382        -0.180
RESID 813 (I):        H         8.364         8.364         7.847         0.517
RESID 814 (D):        N       123.528       123.528       120.515         3.013
RESID 814 (D):       HA         4.196         4.196         4.362        -0.166
RESID 814 (D):       CA        57.680        57.680        57.732        -0.052
RESID 814 (D):       CB        40.236        40.236        40.757        -0.521
RESID 814 (D):        H         8.221         8.221         7.859         0.362
RESID 815 (F):        N       120.584       120.584       120.326         0.258
RESID 815 (F):       HA         4.129         4.129         4.482        -0.353
RESID 815 (F):       CA        61.084        61.084        60.740         0.343
RESID 815 (F):       CB        39.698        39.698        39.643         0.055
RESID 815 (F):        H         7.887         7.887         7.851         0.036
RESID 816 (M):        N       116.960       116.960       120.418        -3.458
RESID 816 (M):       HA         3.782         3.782         4.065        -0.283
RESID 816 (M):       CA        55.662        55.662        57.108        -1.446
RESID 816 (M):       CB        30.033        30.033        31.307        -1.274
RESID 816 (M):        H         8.372         8.372         8.163         0.209
RESID 817 (S):        N       114.277       114.277       113.713         0.564
RESID 817 (S):       HA         4.194         4.194         4.348        -0.154
RESID 817 (S):       CA        60.521        60.521        60.288         0.233
RESID 817 (S):       CB        63.185        63.185        63.369        -0.184
RESID 817 (S):        H         8.074         8.074         8.260        -0.186
RESID 818 (R):        N       121.493       121.493       119.456         2.037
RESID 818 (R):       HA         4.124         4.124         4.100         0.024
RESID 818 (R):       CA        57.684        57.684        56.687         0.997
RESID 818 (R):       CB        30.315        30.315        29.398         0.917
RESID 818 (R):        H         7.288         7.288         7.946        -0.658
RESID 819 (E):        N       119.737       119.737       117.807         1.930
RESID 819 (E):       HA         4.101         4.101         4.100         0.001
RESID 819 (E):       CA        57.066        57.066        58.871        -1.805
RESID 819 (E):       CB        30.491        30.491        29.071         1.420
RESID 819 (E):        H         8.045         8.045         7.918         0.127
RESID 820 (T):        N       112.128       112.128       109.729         2.399
RESID 820 (T):       HA         4.280         4.280         3.773         0.507
RESID 820 (T):       CA        62.055        62.055        62.427        -0.372
RESID 820 (T):       CB        69.828        69.828        68.786         1.042
RESID 820 (T):        H         7.760         7.760         7.408         0.352
RESID 821 (A):        N       126.098       126.098       124.974         1.124
RESID 821 (A):       HA         4.284         4.284         4.268         0.016
RESID 821 (A):       CA        52.726        52.726        52.706         0.020
RESID 821 (A):       CB        19.304        19.304        19.949        -0.645
RESID 821 (A):        H         7.957         7.957         7.431         0.526
RESID 822 (D):        N       119.904       119.904       116.720         3.184
RESID 822 (D):       HA         4.613         4.613         4.882        -0.269
RESID 822 (D):       CA        54.335        54.335        53.759         0.576
RESID 822 (D):       CB        41.032        41.032        42.668        -1.636
RESID 822 (D):        H         8.352         8.352         8.305         0.047
RESID 823 (T):        N       114.142       114.142       115.703        -1.561
RESID 823 (T):       HA         4.278         4.278         4.659        -0.381
RESID 823 (T):       CA        62.117        62.117        60.981         1.136
RESID 823 (T):       CB        69.584        69.584        71.145        -1.561
RESID 823 (T):        H         8.079         8.079         8.284        -0.205
RESID 824 (D):        N       123.261       123.261       119.810         3.451
RESID 824 (D):       HA         4.657         4.657         4.679        -0.022
RESID 824 (D):       CA        54.786        54.786        55.900        -1.114
RESID 824 (D):       CB        41.085        41.085        41.203        -0.118
RESID 824 (D):        H         8.431         8.431         8.968        -0.537
RESID 825 (T):        N       114.932       114.932       113.679         1.253
RESID 825 (T):       HA         4.161         4.161         4.136         0.025
RESID 825 (T):       CA        63.109        63.109        64.716        -1.607
RESID 825 (T):       CB        69.455        69.455        68.372         1.083
RESID 825 (T):        H         8.155         8.155         8.557        -0.402
RESID 826 (A):        N       124.961       124.961       124.292         0.669
RESID 826 (A):       HA         4.160         4.160         3.988         0.172
RESID 826 (A):       CA        54.392        54.392        54.440        -0.048
RESID 826 (A):       CB        18.610        18.610        18.171         0.440
RESID 826 (A):        H         8.379         8.379         8.199         0.180
RESID 827 (D):        N       117.765       117.765       117.617         0.148
RESID 827 (D):       HA         4.425         4.425         4.283         0.142
RESID 827 (D):       CA        56.051        56.051        57.145        -1.094
RESID 827 (D):       CB        40.559        40.559        40.943        -0.384
RESID 827 (D):        H         8.250         8.250         7.794         0.456
RESID 828 (Q):        N       120.523       120.523       118.225         2.298
RESID 828 (Q):       HA         4.091         4.091         4.088         0.003
RESID 828 (Q):       CA        57.814        57.814        58.243        -0.429
RESID 828 (Q):       CB        28.549        28.549        28.869        -0.320
RESID 828 (Q):        H         8.076         8.076         7.775         0.301
RESID 829 (V):        N       120.970       120.970       120.495         0.475
RESID 829 (V):       HA         3.525         3.525         3.731        -0.206
RESID 829 (V):       CA        65.194        65.194        64.626         0.568
RESID 829 (V):       CB        31.541        31.541        31.890        -0.348
RESID 829 (V):        H         8.051         8.051         7.333         0.718
RESID 830 (M):        N       119.572       119.572       118.083         1.489
RESID 830 (M):       HA         4.006         4.006         3.179         0.827
RESID 830 (M):       CA        57.977        57.977        57.808         0.169
RESID 830 (M):       CB        31.995        31.995        31.824         0.171
RESID 830 (M):        H         8.110         8.110         8.143        -0.033
RESID 831 (A):        N       121.059       121.059       122.165        -1.106
RESID 831 (A):       HA         4.045         4.045         4.053        -0.008
RESID 831 (A):       CA        54.501        54.501        54.678        -0.177
RESID 831 (A):       CB        18.067        18.067        17.668         0.399
RESID 831 (A):        H         7.836         7.836         7.421         0.415
RESID 832 (S):        N       114.256       114.256       115.997        -1.741
RESID 832 (S):       HA         4.141         4.141         4.107         0.034
RESID 832 (S):       CA        60.845        60.845        61.520        -0.675
RESID 832 (S):       CB        62.613        62.613        62.795        -0.182
RESID 832 (S):        H         7.714         7.714         7.690         0.024
RESID 833 (F):        N       121.847       121.847       120.088         1.759
RESID 833 (F):       HA         3.823         3.823         4.185        -0.362
RESID 833 (F):       CA        58.627        58.627        58.549         0.078
RESID 833 (F):       CB        38.127        38.127        37.948         0.179
RESID 833 (F):        H         7.740         7.740         7.600         0.140
RESID 834 (K):        N       118.759       118.759       120.283        -1.524
RESID 834 (K):       HA         3.589         3.589         3.481         0.108
RESID 834 (K):       CA        59.384        59.384        58.341         1.043
RESID 834 (K):       CB        32.143        32.143        31.773         0.370
RESID 834 (K):        H         7.843         7.843         7.739         0.104
RESID 835 (I):        N       118.537       118.537       119.783        -1.246
RESID 835 (I):       HA         3.736         3.736         3.781        -0.045
RESID 835 (I):       CA        63.714        63.714        64.446        -0.732
RESID 835 (I):       CB        37.825        37.825        38.104        -0.279
RESID 835 (I):        H         7.315         7.315         7.378        -0.063
RESID 836 (L):        N       121.201       121.201       119.975         1.226
RESID 836 (L):       HA         3.955         3.955         3.843         0.112
RESID 836 (L):       CA        57.074        57.074        57.434        -0.360
RESID 836 (L):       CB        42.415        42.415        41.978         0.437
RESID 836 (L):        H         7.625         7.625         7.860        -0.235
RESID 837 (A):        N       119.184       119.184       118.196         0.988
RESID 837 (A):       HA         3.895         3.895         3.924        -0.029
RESID 837 (A):       CA        53.301        53.301        53.814        -0.513
RESID 837 (A):       CB        19.338        19.338        19.099         0.239
RESID 837 (A):        H         8.099         8.099         7.732         0.367
RESID 838 (G):        N       107.030       107.030       106.698         0.332
RESID 838 (G):       CA        46.918        46.918        46.417         0.501
RESID 838 (G):        H         7.676         7.676         8.080        -0.404
RESID 839 (D):        N       122.291       122.291       124.597        -2.306
RESID 839 (D):       HA         4.477         4.477         4.882        -0.405
RESID 839 (D):       CA        54.511        54.511        53.748         0.763
RESID 839 (D):       CB        40.181        40.181        41.896        -1.715
RESID 839 (D):        H         8.704         8.704         8.201         0.503
RESID 840 (K):        N       117.582       117.582       120.612        -3.030
RESID 840 (K):       HA         4.301         4.301         4.493        -0.192
RESID 840 (K):       CA        55.780        55.780        55.882        -0.102
RESID 840 (K):       CB        33.710        33.710        33.510         0.200
RESID 840 (K):        H         7.583         7.583         7.342         0.241
RESID 841 (N):        N       116.678       116.678       117.328        -0.650
RESID 841 (N):       HA         4.611         4.611         4.676        -0.065
RESID 841 (N):       CA        53.466        53.466        53.771        -0.305
RESID 841 (N):       CB        39.155        39.155        39.147         0.008
RESID 841 (N):        H         8.693         8.693         8.873        -0.180
RESID 842 (Y):        N       112.236       112.236       114.326        -2.090
RESID 842 (Y):       HA         4.986         4.986         4.790         0.196
RESID 842 (Y):       CA        54.918        54.918        56.313        -1.395
RESID 842 (Y):       CB        40.595        40.595        40.364         0.231
RESID 842 (Y):        H         6.637         6.637         7.266        -0.629
RESID 843 (I):        N       115.475       115.475       121.378        -5.903
RESID 843 (I):       HA         4.792         4.792         4.680         0.112
RESID 843 (I):       CA        58.957        58.957        58.321         0.636
RESID 843 (I):       CB        43.009        43.009        42.822         0.187
RESID 843 (I):        H         8.630         8.630         9.249        -0.619
RESID 844 (T):        N       117.169       117.169       118.663        -1.494
RESID 844 (T):       HA         5.370         5.370         5.199         0.171
RESID 844 (T):       CA        60.177        60.177        60.697        -0.520
RESID 844 (T):       CB        71.088        71.088        70.580         0.508
RESID 844 (T):        H         9.330         9.330         9.355        -0.025
RESID 845 (M):        N       119.860       119.860       119.984        -0.124
RESID 845 (M):       HA         3.824         3.824         3.986        -0.162
RESID 845 (M):       CA        60.321        60.321        60.446        -0.125
RESID 845 (M):       CB        33.030        33.030        32.244         0.786
RESID 845 (M):        H         8.556         8.556         8.805        -0.249
RESID 846 (D):        N       116.363       116.363       118.188        -1.825
RESID 846 (D):       HA         4.280         4.280         4.384        -0.104
RESID 846 (D):       CA        57.404        57.404        56.905         0.499
RESID 846 (D):       CB        40.584        40.584        40.179         0.405
RESID 846 (D):        H         8.377         8.377         8.682        -0.305
RESID 847 (E):        N       120.577       120.577       118.666         1.911
RESID 847 (E):       HA         3.854         3.854         4.152        -0.298
RESID 847 (E):       CA        59.657        59.657        58.526         1.131
RESID 847 (E):       CB        29.660        29.660        30.121        -0.461
RESID 847 (E):        H         7.855         7.855         7.651         0.204
RESID 848 (L):        N       118.714       118.714       119.857        -1.143
RESID 848 (L):       HA         3.822         3.822         4.041        -0.219
RESID 848 (L):       CA        58.725        58.725        57.758         0.966
RESID 848 (L):       CB        42.457        42.457        41.959         0.498
RESID 848 (L):        H         7.849         7.849         7.591         0.258
RESID 849 (R):        N       113.972       113.972       115.279        -1.307
RESID 849 (R):       HA         3.924         3.924         4.385        -0.461
RESID 849 (R):       CA        58.595        58.595        57.560         1.035
RESID 849 (R):       CB        30.100        30.100        29.605         0.495
RESID 849 (R):        H         8.053         8.053         8.181        -0.128
RESID 850 (R):        N       118.178       118.178       118.667        -0.489
RESID 850 (R):       HA         4.193         4.193         4.370        -0.177
RESID 850 (R):       CA        58.245        58.245        57.777         0.468
RESID 850 (R):       CB        31.120        31.120        31.363        -0.243
RESID 850 (R):        H         7.743         7.743         7.523         0.220
RESID 851 (E):        N       115.518       115.518       118.163        -2.645
RESID 851 (E):       HA         4.350         4.350         4.320         0.030
RESID 851 (E):       CA        56.886        56.886        57.852        -0.966
RESID 851 (E):       CB        31.590        31.590        30.685         0.905
RESID 851 (E):        H         7.596         7.596         7.816        -0.220
RESID 852 (L):        N       119.148       119.148       122.015        -2.867
RESID 852 (L):       HA         4.894         4.894         5.065        -0.171
RESID 852 (L):       CA        52.174        52.174        50.959         1.215
RESID 852 (L):       CB        42.469        42.469        41.196         1.273
RESID 852 (L):        H         7.890         7.890         7.984        -0.094
RESID 853 (P):       HA         4.347         4.347         4.432        -0.085
RESID 853 (P):       CA        65.119        65.119        64.159         0.960
RESID 853 (P):       CB        31.631        31.631        30.778         0.853
RESID 854 (P):       HA         4.270         4.270         4.487        -0.217
RESID 854 (P):       CA        66.336        66.336        62.022         4.314
RESID 854 (P):       CB        32.256        32.256        33.036        -0.780
RESID 855 (D):        N       114.865       114.865       118.879        -4.014
RESID 855 (D):       HA         4.349         4.349         4.344         0.005
RESID 855 (D):       CA        56.913        56.913        56.850         0.063
RESID 855 (D):       CB        39.244        39.244        39.937        -0.693
RESID 855 (D):        H         8.801         8.801         8.346         0.455
RESID 856 (Q):        N       121.465       121.465       119.151         2.314
RESID 856 (Q):       HA         4.199         4.199         4.342        -0.143
RESID 856 (Q):       CA        58.317        58.317        59.431        -1.114
RESID 856 (Q):       CB        29.247        29.247        28.227         1.020
RESID 856 (Q):        H         7.472         7.472         8.430        -0.958
RESID 857 (A):        N       122.805       122.805       122.343         0.462
RESID 857 (A):       HA         3.799         3.799         3.907        -0.108
RESID 857 (A):       CA        56.303        56.303        56.084         0.219
RESID 857 (A):       CB        17.944        17.944        18.285        -0.341
RESID 857 (A):        H         8.882         8.882         8.182         0.700
RESID 858 (E):        N       114.094       114.094       118.586        -4.492
RESID 858 (E):       HA         4.024         4.024         4.020         0.004
RESID 858 (E):       CA        58.682        58.682        58.619         0.063
RESID 858 (E):       CB        28.639        28.639        29.057        -0.418
RESID 858 (E):        H         8.155         8.155         7.900         0.255
RESID 859 (Y):        N       120.665       120.665       122.017        -1.352
RESID 859 (Y):       HA         4.084         4.084         4.108        -0.024
RESID 859 (Y):       CA        61.006        61.006        61.037        -0.031
RESID 859 (Y):       CB        38.687        38.687        38.042         0.645
RESID 859 (Y):        H         7.708         7.708         8.290        -0.582
RESID 860 (C):        N       115.812       115.812       117.185        -1.373
RESID 860 (C):       HA         4.158         4.158         3.305         0.853
RESID 860 (C):       CA        64.254        64.254        63.678         0.576
RESID 860 (C):       CB        27.304        27.304        27.283         0.021
RESID 860 (C):        H         8.113         8.113         7.650         0.463
RESID 861 (I):        N       120.078       120.078       119.681         0.397
RESID 861 (I):       HA         3.339         3.339         3.596        -0.257
RESID 861 (I):       CA        65.643        65.643        65.174         0.469
RESID 861 (I):       CB        38.714        38.714        37.895         0.819
RESID 861 (I):        H         8.453         8.453         7.770         0.683
RESID 862 (A):        N       116.691       116.691       120.635        -3.944
RESID 862 (A):       HA         4.209         4.209         4.042         0.167
RESID 862 (A):       CA        53.222        53.222        54.573        -1.351
RESID 862 (A):       CB        19.002        19.002        19.119        -0.117
RESID 862 (A):        H         7.307         7.307         8.137        -0.830
RESID 863 (R):        N       117.226       117.226       116.322         0.904
RESID 863 (R):       HA         4.274         4.274         4.437        -0.163
RESID 863 (R):       CA        56.051        56.051        56.966        -0.915
RESID 863 (R):       CB        31.389        31.389        30.886         0.503
RESID 863 (R):        H         7.358         7.358         7.592        -0.234
RESID 864 (M):        N       117.583       117.583       118.743        -1.160
RESID 864 (M):       HA         4.561         4.561         4.505         0.056
RESID 864 (M):       CA        54.927        54.927        56.187        -1.260
RESID 864 (M):       CB        37.418        37.418        34.060         3.358
RESID 864 (M):        H         7.153         7.153         7.594        -0.441
RESID 865 (A):        N       124.643       124.643       124.913        -0.270
RESID 865 (A):       HA         3.866         3.866         4.781        -0.915
RESID 865 (A):       CA        49.194        49.194        49.187         0.007
RESID 865 (A):       CB        18.647        18.647        18.303         0.344
RESID 865 (A):        H         8.557         8.557         8.153         0.404
RESID 866 (P):       HA         4.496         4.496         4.481         0.015
RESID 866 (P):       CA        62.724        62.724        62.947        -0.223
RESID 866 (P):       CB        31.980        31.980        30.435         1.545
RESID 867 (Y):        N       122.461       122.461       126.351        -3.890
RESID 867 (Y):       HA         4.728         4.728         4.554         0.174
RESID 867 (Y):       CA        57.096        57.096        56.074         1.022
RESID 867 (Y):       CB        39.175        39.175        37.771         1.404
RESID 867 (Y):        H         8.128         8.128         8.030         0.098
RESID 868 (T):       HA         4.351         4.351         4.724        -0.373
RESID 868 (T):       CA        60.271        60.271        61.049        -0.778
RESID 868 (T):       CB        68.737        68.737        69.150        -0.413
RESID 869 (G):       CA        44.914        44.914        42.345         2.569
RESID 870 (P):       HA         4.329         4.329         4.368        -0.039
RESID 870 (P):       CA        64.697        64.697        64.102         0.595
RESID 870 (P):       CB        31.579        31.579        32.147        -0.568
RESID 871 (D):        N       116.207       116.207       115.699         0.508
RESID 871 (D):       HA         4.604         4.604         4.606        -0.002
RESID 871 (D):       CA        52.749        52.749        53.817        -1.068
RESID 871 (D):       CB        38.929        38.929        40.579        -1.650
RESID 871 (D):        H         9.267         9.267         8.500         0.767
RESID 872 (S):        N       112.349       112.349       115.179        -2.830
RESID 872 (S):       HA         3.497         3.497         4.580        -1.083
RESID 872 (S):       CA        59.065        59.065        57.490         1.575
RESID 872 (S):       CB        63.125        63.125        64.488        -1.363
RESID 872 (S):        H         7.487         7.487         7.518        -0.031
RESID 873 (V):        N       113.567       113.567       113.391         0.176
RESID 873 (V):       HA         4.729         4.729         4.616         0.113
RESID 873 (V):       CA        58.044        58.044        58.279        -0.235
RESID 873 (V):       CB        32.911        32.911        32.504         0.407
RESID 873 (V):        H         6.411         6.411         8.164        -1.753
RESID 874 (P):       HA         4.296         4.296         4.450        -0.154
RESID 874 (P):       CA        64.335        64.335        64.101         0.234
RESID 874 (P):       CB        31.515        31.515        32.038        -0.523
RESID 875 (G):        N       112.118       112.118       107.069         5.049
RESID 875 (G):       CA        45.557        45.557        44.249         1.308
RESID 875 (G):        H         8.800         8.800         8.182         0.618
RESID 876 (A):        N       120.262       120.262       123.764        -3.502
RESID 876 (A):       HA         4.100         4.100         5.515        -1.415
RESID 876 (A):       CA        53.073        53.073        50.329         2.744
RESID 876 (A):       CB        20.508        20.508        21.600        -1.092
RESID 876 (A):        H         7.762         7.762         7.531         0.231
RESID 877 (L):        N       125.695       125.695       121.005         4.690
RESID 877 (L):       HA         4.776         4.776         5.186        -0.410
RESID 877 (L):       CA        54.269        54.269        53.783         0.486
RESID 877 (L):       CB        44.799        44.799        46.994        -2.195
RESID 877 (L):        H         9.595         9.595         9.358         0.237
RESID 878 (D):        N       119.823       119.823       121.563        -1.740
RESID 878 (D):       HA         4.879         4.879         4.596         0.283
RESID 878 (D):       CA        51.997        51.997        52.558        -0.561
RESID 878 (D):       CB        40.781        40.781        41.630        -0.849
RESID 878 (D):        H         9.031         9.031         7.831         1.200
RESID 879 (Y):        N       126.556       126.556       123.926         2.630
RESID 879 (Y):       HA         4.591         4.591         4.356         0.235
RESID 879 (Y):       CA        59.396        59.396        60.127        -0.731
RESID 879 (Y):       CB        37.321        37.321        37.821        -0.500
RESID 879 (Y):        H         7.456         7.456         8.128        -0.672
RESID 880 (M):        N       119.958       119.958       115.066         4.892
RESID 880 (M):       HA         4.605         4.605         4.724        -0.119
RESID 880 (M):       CA        56.044        56.044        57.327        -1.282
RESID 880 (M):       CB        30.101        30.101        33.239        -3.138
RESID 880 (M):        H         7.627         7.627         7.487         0.140
RESID 881 (S):        N       114.328       114.328       115.782        -1.454
RESID 881 (S):       HA         4.471         4.471         4.678        -0.207
RESID 881 (S):       CA        58.917        58.917        57.181         1.736
RESID 881 (S):       CB        64.447        64.447        63.608         0.839
RESID 881 (S):        H         7.726         7.726         8.103        -0.377
RESID 882 (F):        N       122.735       122.735       121.225         1.510
RESID 882 (F):       HA         4.722         4.722         4.352         0.370
RESID 882 (F):       CA        59.231        59.231        57.808         1.423
RESID 882 (F):       CB        40.285        40.285        39.407         0.878
RESID 882 (F):        H         7.385         7.385         7.381         0.004
RESID 883 (S):        N       120.156       120.156       117.650         2.506
RESID 883 (S):       HA         4.299         4.299         4.163         0.136
RESID 883 (S):       CA        57.280        57.280        58.923        -1.643
RESID 883 (S):       CB        64.601        64.601        63.650         0.951
RESID 883 (S):        H         7.472         7.472         8.009        -0.537
RESID 884 (T):        N       110.683       110.683       117.898        -7.215
RESID 884 (T):       HA         3.966         3.966         3.872         0.094
RESID 884 (T):       CA        63.465        63.465        62.336         1.129
RESID 884 (T):       CB        68.899        68.899        68.358         0.541
RESID 884 (T):        H         7.996         7.996         8.231        -0.235
RESID 885 (A):        N       125.456       125.456       122.482         2.974
RESID 885 (A):       HA         4.236         4.236         4.534        -0.298
RESID 885 (A):       CA        52.030        52.030        51.016         1.014
RESID 885 (A):       CB        19.225        19.225        21.199        -1.974
RESID 885 (A):        H         7.905         7.905         7.206         0.699
RESID 886 (L):        N       120.638       120.638       119.918         0.720
RESID 886 (L):       HA         4.002         4.002         4.219        -0.217
RESID 886 (L):       CA        55.462        55.462        54.508         0.954
RESID 886 (L):       CB        42.265        42.265        42.998        -0.734
RESID 886 (L):        H         8.079         8.079         8.180        -0.101
RESID 887 (Y):        N       121.526       121.526       119.416         2.110
RESID 887 (Y):       HA         4.356         4.356         4.470        -0.114
RESID 887 (Y):       CA        58.750        58.750        56.897         1.853
RESID 887 (Y):       CB        38.569        38.569        35.672         2.897
RESID 887 (Y):        H         8.267         8.267         8.181         0.086
RESID 888 (G):        N       112.379       112.379       109.515         2.864
RESID 888 (G):       CA        45.090        45.090        44.496         0.594
RESID 888 (G):        H         8.087         8.087         7.806         0.281
RESID 889 (E):        N       120.255       120.255       120.580        -0.325
RESID 889 (E):       HA         4.256         4.256         4.353        -0.097
RESID 889 (E):       CA        56.445        56.445        57.247        -0.802
RESID 889 (E):       CB        30.393        30.393        30.081         0.312
RESID 889 (E):        H         7.994         7.994         8.460        -0.466
RESID 890 (S):        N       116.375       116.375       117.396        -1.021
RESID 890 (S):       HA         4.415         4.415         4.786        -0.371
RESID 890 (S):       CA        58.204        58.204        57.909         0.295
RESID 890 (S):       CB        63.913        63.913        64.481        -0.568
RESID 890 (S):        H         8.329         8.329         8.224         0.105
RESID 891 (D):        N       123.017       123.017       122.185         0.832
RESID 891 (D):       HA         4.610         4.610         5.173        -0.563
RESID 891 (D):       CA        54.371        54.371        53.610         0.761
RESID 891 (D):       CB        41.013        41.013        41.871        -0.858
RESID 891 (D):        H         8.394         8.394         8.733        -0.339

                         N          HA           C          CA          CB           H
RESID 743 (I):      -0.088       0.301       -----      -1.403       0.156       0.707
RESID 744 (S):       1.951      -0.163       -----       0.870       0.619       0.260
RESID 745 (Q):      -0.881      -0.205       -----      -0.201      -0.332       0.042
RESID 746 (E):      -1.265      -0.139       -----       0.672      -0.183       1.066
RESID 747 (Q):       0.789      -0.601       -----      -0.546       0.798      -0.732
RESID 748 (M):       4.025      -0.265       -----      -0.986      -1.429       0.378
RESID 749 (N):      -0.985      -0.024       -----      -0.330      -1.434       0.523
RESID 750 (E):       3.464       0.043       -----       0.864      -0.410      -0.624
RESID 751 (F):      -2.978       0.631       -----      -1.402      -1.666       0.017
RESID 752 (R):       0.300       0.188       -----       1.418       1.358       0.953
RESID 753 (A):      -1.425      -0.190       -----       0.794      -0.018       0.235
RESID 754 (S):       0.684       0.244       -----       2.954       0.805       0.567
RESID 755 (F):       3.229      -0.217       -----       3.128       1.275       1.066
RESID 756 (N):       0.317       0.331       -----       3.481      -1.249       0.949
RESID 757 (H):      -2.302      -0.207       -----       0.517      -0.030       0.464
RESID 758 (F):      -3.710      -0.326       -----       2.632      -1.636       0.165
RESID 759 (D):      -0.573       0.077       -----      -2.685      -2.502      -0.472
RESID 760 (R):      -0.689      -0.300       -----      -0.442      -0.383      -0.530
RESID 761 (D):      -0.151      -0.226       -----      -1.472      -1.131      -0.249
RESID 762 (H):      -1.677      -0.072       -----      -0.379      -2.517      -0.118
RESID 763 (S):       1.220      -0.021       -----       0.003       1.156       0.016
RESID 764 (G):       6.397       -----       -----       0.031       -----       2.191
RESID 765 (T):      -2.786      -0.350       -----      -1.363       1.218      -0.287
RESID 766 (L):       0.472       0.256       -----      -1.460      -0.530       0.417
RESID 767 (G):      -0.052       -----       -----       0.266       -----      -0.075
RESID 768 (P):       -----      -0.232       -----       0.896      -0.070       -----
RESID 769 (E):      -1.819      -0.134       -----       1.142      -0.367      -0.400
RESID 770 (E):       3.151       0.061       -----       0.081       1.448      -0.591
RESID 771 (F):      -4.361       0.100       -----      -2.044      -0.638       0.194
RESID 772 (K):       1.449      -0.267       -----       2.345       1.223       0.565
RESID 773 (A):      -1.834      -0.092       -----       1.405      -1.367      -0.166
RESID 774 (C):       2.104      -0.592       -----      -0.877      -1.311      -0.023
RESID 775 (L):       0.554       0.203       -----       1.726      -0.228       0.894
RESID 776 (I):       2.568       1.578       -----       1.189       0.816       1.724
RESID 777 (S):       5.052       0.152       -----       1.647      -0.127       0.561
RESID 778 (L):       4.503       0.127       -----       1.120       0.077       0.598
RESID 779 (G):      -0.580       -----       -----       0.345       -----       0.680
RESID 780 (Y):       2.964      -0.469       -----       4.171      -0.227       0.713
RESID 781 (D):       6.586       0.006       -----      -0.860      -0.747      -0.242
RESID 782 (I):       9.358      -0.132       -----      -0.054      -2.417       0.382
RESID 783 (G):       6.017       -----       -----       0.054       -----      -0.005
RESID 784 (N):      -1.847       0.249       -----      -0.752      -0.815      -0.199
RESID 785 (D):      -0.865      -0.259       -----       1.418      -4.082       0.075
RESID 786 (P):       -----      -0.046       -----       1.335      -0.272       -----
RESID 787 (Q):      -0.008      -0.009       -----       0.651      -0.996      -0.676
RESID 788 (G):       5.358       -----       -----       0.572       -----       0.789
RESID 789 (E):      -0.093      -0.125       -----      -0.008       0.103      -0.076
RESID 790 (A):       0.416       0.068       -----      -0.252      -0.608       0.410
RESID 791 (E):       3.593       0.578       -----      -0.314      -0.350       0.498
RESID 792 (F):      -1.327      -0.200       -----       0.796       0.087      -0.099
RESID 793 (A):      -1.913       0.549       -----       0.492      -0.197       0.314
RESID 794 (R):       1.728      -0.086       -----       0.335       0.066       0.349
RESID 795 (I):       0.434      -0.411       -----       0.915      -0.073       0.176
RESID 796 (M):       0.056       0.195       -----      -1.584      -1.554       0.319
RESID 797 (S):       1.327      -0.155       -----       1.156      -0.542       0.203
RESID 798 (I):       4.168      -0.309       -----       0.657       0.032      -0.378
RESID 799 (V):      -1.843       0.168       -----       1.557       1.063      -0.203
RESID 800 (D):      -0.306       0.117       -----       1.801      -0.513       0.550
RESID 801 (P):       -----      -0.103       -----       1.076      -0.385       -----
RESID 802 (N):      -1.390       0.047       -----       0.210      -1.550       1.216
RESID 803 (R):       1.718      -0.410       -----      -0.115      -0.788       0.032
RESID 804 (L):       6.944      -0.555       -----       2.054       1.308       2.390
RESID 805 (G):       3.254       -----       -----      -0.803       -----       2.447
RESID 806 (V):      -5.126       0.187       -----      -0.805       2.059      -0.434
RESID 807 (V):      -0.463      -0.314       -----       0.361       0.570       0.084
RESID 808 (T):      -0.966      -0.097       -----       1.905      -0.634       0.227
RESID 809 (F):       3.400      -0.853       -----       0.339       0.656       1.207
RESID 810 (Q):      -0.057      -0.603       -----       0.679      -0.302       0.711
RESID 811 (A):      -0.830      -0.065       -----       1.114       0.469      -0.004
RESID 812 (F):       1.024      -0.407       -----      -0.350       0.901       0.060
RESID 813 (I):      -0.484      -0.844       -----       0.581      -0.180       0.517
RESID 814 (D):       3.013      -0.166       -----      -0.052      -0.521       0.362
RESID 815 (F):       0.258      -0.353       -----       0.343       0.055       0.036
RESID 816 (M):      -3.458      -0.283       -----      -1.446      -1.274       0.209
RESID 817 (S):       0.564      -0.154       -----       0.233      -0.184      -0.186
RESID 818 (R):       2.037       0.024       -----       0.997       0.917      -0.658
RESID 819 (E):       1.930       0.001       -----      -1.805       1.420       0.127
RESID 820 (T):       2.399       0.507       -----      -0.372       1.042       0.352
RESID 821 (A):       1.124       0.016       -----       0.020      -0.645       0.526
RESID 822 (D):       3.184      -0.269       -----       0.576      -1.636       0.047
RESID 823 (T):      -1.561      -0.381       -----       1.136      -1.561      -0.205
RESID 824 (D):       3.451      -0.022       -----      -1.114      -0.118      -0.537
RESID 825 (T):       1.253       0.025       -----      -1.607       1.083      -0.402
RESID 826 (A):       0.669       0.172       -----      -0.048       0.440       0.180
RESID 827 (D):       0.148       0.142       -----      -1.094      -0.384       0.456
RESID 828 (Q):       2.298       0.003       -----      -0.429      -0.320       0.301
RESID 829 (V):       0.475      -0.206       -----       0.568      -0.348       0.718
RESID 830 (M):       1.489       0.827       -----       0.169       0.171      -0.033
RESID 831 (A):      -1.106      -0.008       -----      -0.177       0.399       0.415
RESID 832 (S):      -1.741       0.034       -----      -0.675      -0.182       0.024
RESID 833 (F):       1.759      -0.362       -----       0.078       0.179       0.140
RESID 834 (K):      -1.524       0.108       -----       1.043       0.370       0.104
RESID 835 (I):      -1.246      -0.045       -----      -0.732      -0.279      -0.063
RESID 836 (L):       1.226       0.112       -----      -0.360       0.437      -0.235
RESID 837 (A):       0.988      -0.029       -----      -0.513       0.239       0.367
RESID 838 (G):       0.332       -----       -----       0.501       -----      -0.404
RESID 839 (D):      -2.306      -0.405       -----       0.763      -1.715       0.503
RESID 840 (K):      -3.030      -0.192       -----      -0.102       0.200       0.241
RESID 841 (N):      -0.650      -0.065       -----      -0.305       0.008      -0.180
RESID 842 (Y):      -2.090       0.196       -----      -1.395       0.231      -0.629
RESID 843 (I):      -5.903       0.112       -----       0.636       0.187      -0.619
RESID 844 (T):      -1.494       0.171       -----      -0.520       0.508      -0.025
RESID 845 (M):      -0.124      -0.162       -----      -0.125       0.786      -0.249
RESID 846 (D):      -1.825      -0.104       -----       0.499       0.405      -0.305
RESID 847 (E):       1.911      -0.298       -----       1.131      -0.461       0.204
RESID 848 (L):      -1.143      -0.219       -----       0.966       0.498       0.258
RESID 849 (R):      -1.307      -0.461       -----       1.035       0.495      -0.128
RESID 850 (R):      -0.489      -0.177       -----       0.468      -0.243       0.220
RESID 851 (E):      -2.645       0.030       -----      -0.966       0.905      -0.220
RESID 852 (L):      -2.867      -0.171       -----       1.215       1.273      -0.094
RESID 853 (P):       -----      -0.085       -----       0.960       0.853       -----
RESID 854 (P):       -----      -0.217       -----       4.314      -0.780       -----
RESID 855 (D):      -4.014       0.005       -----       0.063      -0.693       0.455
RESID 856 (Q):       2.314      -0.143       -----      -1.114       1.020      -0.958
RESID 857 (A):       0.462      -0.108       -----       0.219      -0.341       0.700
RESID 858 (E):      -4.492       0.004       -----       0.063      -0.418       0.255
RESID 859 (Y):      -1.352      -0.024       -----      -0.031       0.645      -0.582
RESID 860 (C):      -1.373       0.853       -----       0.576       0.021       0.463
RESID 861 (I):       0.397      -0.257       -----       0.469       0.819       0.683
RESID 862 (A):      -3.944       0.167       -----      -1.351      -0.117      -0.830
RESID 863 (R):       0.904      -0.163       -----      -0.915       0.503      -0.234
RESID 864 (M):      -1.160       0.056       -----      -1.260       3.358      -0.441
RESID 865 (A):      -0.270      -0.915       -----       0.007       0.344       0.404
RESID 866 (P):       -----       0.015       -----      -0.223       1.545       -----
RESID 867 (Y):      -3.890       0.174       -----       1.022       1.404       0.098
RESID 868 (T):       -----      -0.373       -----      -0.778      -0.413       -----
RESID 869 (G):       -----       -----       -----       2.569       -----       -----
RESID 870 (P):       -----      -0.039       -----       0.595      -0.568       -----
RESID 871 (D):       0.508      -0.002       -----      -1.068      -1.650       0.767
RESID 872 (S):      -2.830      -1.083       -----       1.575      -1.363      -0.031
RESID 873 (V):       0.176       0.113       -----      -0.235       0.407      -1.753
RESID 874 (P):       -----      -0.154       -----       0.234      -0.523       -----
RESID 875 (G):       5.049       -----       -----       1.308       -----       0.618
RESID 876 (A):      -3.502      -1.415       -----       2.744      -1.092       0.231
RESID 877 (L):       4.690      -0.410       -----       0.486      -2.195       0.237
RESID 878 (D):      -1.740       0.283       -----      -0.561      -0.849       1.200
RESID 879 (Y):       2.630       0.235       -----      -0.731      -0.500      -0.672
RESID 880 (M):       4.892      -0.119       -----      -1.282      -3.138       0.140
RESID 881 (S):      -1.454      -0.207       -----       1.736       0.839      -0.377
RESID 882 (F):       1.510       0.370       -----       1.423       0.878       0.004
RESID 883 (S):       2.506       0.136       -----      -1.643       0.951      -0.537
RESID 884 (T):      -7.215       0.094       -----       1.129       0.541      -0.235
RESID 885 (A):       2.974      -0.298       -----       1.014      -1.974       0.699
RESID 886 (L):       0.720      -0.217       -----       0.954      -0.734      -0.101
RESID 887 (Y):       2.110      -0.114       -----       1.853       2.897       0.086
RESID 888 (G):       2.864       -----       -----       0.594       -----       0.281
RESID 889 (E):      -0.325      -0.097       -----      -0.802       0.312      -0.466
RESID 890 (S):      -1.021      -0.371       -----       0.295      -0.568       0.105
RESID 891 (D):       0.832      -0.563       -----       0.761      -0.858      -0.339

DATA CS_STAT_INFO  N  RMS:   2.705 ppm Count: 139 Average Difference: -0.330 +/- 2.695 ppm
DATA CS_STAT_INFO  HA RMS:   0.357 ppm Count: 160 Average Difference:  0.058 +/- 0.353 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   1.230 ppm Count: 150 Average Difference: -0.295 +/- 1.198 ppm
DATA CS_STAT_INFO  CB RMS:   1.081 ppm Count: 140 Average Difference:  0.125 +/- 1.078 ppm
DATA CS_STAT_INFO  HN RMS:   0.615 ppm Count: 139 Average Difference: -0.164 +/- 0.595 ppm


############################################################################
For conformer 3:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 742 (S):       HA         4.525         4.525         4.348         0.177
RESID 742 (S):       CA        58.148        58.148        59.213        -1.065
RESID 742 (S):       CB        63.791        63.791        63.664         0.127
RESID 743 (I):        N       122.172       122.172       121.700         0.472
RESID 743 (I):       HA         4.362         4.362         3.952         0.410
RESID 743 (I):       CA        60.421        60.421        61.719        -1.298
RESID 743 (I):       CB        39.166        39.166        38.949         0.217
RESID 743 (I):        H         8.132         8.132         7.534         0.598
RESID 744 (S):        N       123.144       123.144       121.629         1.515
RESID 744 (S):       HA         4.449         4.449         4.698        -0.249
RESID 744 (S):       CA        57.463        57.463        57.330         0.133
RESID 744 (S):       CB        65.219        65.219        65.708        -0.489
RESID 744 (S):        H         8.848         8.848         8.368         0.480
RESID 745 (Q):        N       121.619       121.619       121.390         0.229
RESID 745 (Q):       HA         3.952         3.952         4.165        -0.213
RESID 745 (Q):       CA        58.768        58.768        58.947        -0.179
RESID 745 (Q):       CB        28.512        28.512        28.633        -0.121
RESID 745 (Q):        H         9.042         9.042         9.118        -0.076
RESID 746 (E):        N       118.648       118.648       118.813        -0.165
RESID 746 (E):       HA         4.004         4.004         4.214        -0.210
RESID 746 (E):       CA        60.223        60.223        58.449         1.774
RESID 746 (E):       CB        28.854        28.854        29.420        -0.566
RESID 746 (E):        H         8.721         8.721         8.386         0.335
RESID 747 (Q):        N       120.463       120.463       120.543        -0.080
RESID 747 (Q):       HA         3.766         3.766         4.127        -0.361
RESID 747 (Q):       CA        58.306        58.306        58.808        -0.502
RESID 747 (Q):       CB        28.948        28.948        28.607         0.341
RESID 747 (Q):        H         7.838         7.838         8.328        -0.490
RESID 748 (M):        N       119.252       119.252       115.096         4.156
RESID 748 (M):       HA         4.200         4.200         4.488        -0.288
RESID 748 (M):       CA        58.096        58.096        59.122        -1.026
RESID 748 (M):       CB        30.900        30.900        32.409        -1.509
RESID 748 (M):        H         8.473         8.473         8.082         0.391
RESID 749 (N):        N       117.740       117.740       118.510        -0.770
RESID 749 (N):       HA         4.474         4.474         4.504        -0.030
RESID 749 (N):       CA        55.795        55.795        55.974        -0.179
RESID 749 (N):       CB        37.413        37.413        38.858        -1.445
RESID 749 (N):        H         8.334         8.334         7.661         0.673
RESID 750 (E):        N       122.848       122.848       119.999         2.849
RESID 750 (E):       HA         4.204         4.204         4.175         0.029
RESID 750 (E):       CA        59.341        59.341        58.625         0.716
RESID 750 (E):       CB        29.184        29.184        29.297        -0.113
RESID 750 (E):        H         7.838         7.838         8.363        -0.525
RESID 751 (F):        N       120.177       120.177       122.542        -2.365
RESID 751 (F):       HA         5.021         5.021         4.437         0.584
RESID 751 (F):       CA        58.353        58.353        59.534        -1.181
RESID 751 (F):       CB        37.797        37.797        39.628        -1.831
RESID 751 (F):        H         8.785         8.785         8.616         0.169
RESID 752 (R):        N       120.528       120.528       120.187         0.341
RESID 752 (R):       HA         4.160         4.160         3.930         0.230
RESID 752 (R):       CA        59.704        59.704        58.307         1.397
RESID 752 (R):       CB        29.968        29.968        28.605         1.363
RESID 752 (R):        H         9.016         9.016         8.011         1.005
RESID 753 (A):        N       121.112       121.112       122.510        -1.398
RESID 753 (A):       HA         4.245         4.245         4.447        -0.202
RESID 753 (A):       CA        55.331        55.331        54.510         0.821
RESID 753 (A):       CB        17.823        17.823        17.831        -0.007
RESID 753 (A):        H         8.100         8.100         7.901         0.199
RESID 754 (S):        N       115.589       115.589       115.057         0.532
RESID 754 (S):       HA         4.452         4.452         4.301         0.151
RESID 754 (S):       CA        62.675        62.675        59.750         2.925
RESID 754 (S):       CB        63.359        63.359        62.719         0.640
RESID 754 (S):        H         8.391         8.391         7.884         0.507
RESID 755 (F):        N       121.886       121.886       118.500         3.386
RESID 755 (F):       HA         3.642         3.642         3.970        -0.328
RESID 755 (F):       CA        61.964        61.964        58.708         3.256
RESID 755 (F):       CB        39.822        39.822        38.503         1.319
RESID 755 (F):        H         8.675         8.675         7.663         1.012
RESID 756 (N):        N       113.618       113.618       113.039         0.579
RESID 756 (N):       HA         4.427         4.427         4.450        -0.023
RESID 756 (N):       CA        55.611        55.611        52.282         3.329
RESID 756 (N):       CB        37.838        37.838        39.196        -1.358
RESID 756 (N):        H         8.593         8.593         7.751         0.842
RESID 757 (H):        N       119.679       119.679       120.697        -1.018
RESID 757 (H):       HA         4.079         4.079         4.307        -0.228
RESID 757 (H):       CA        59.344        59.344        58.418         0.926
RESID 757 (H):       CB        29.889        29.889        30.386        -0.497
RESID 757 (H):        H         8.139         8.139         7.746         0.393
RESID 758 (F):        N       113.051       113.051       116.109        -3.058
RESID 758 (F):       HA         4.061         4.061         4.440        -0.379
RESID 758 (F):       CA        60.697        60.697        58.290         2.407
RESID 758 (F):       CB        38.735        38.735        40.370        -1.635
RESID 758 (F):        H         7.585         7.585         7.507         0.078
RESID 759 (D):        N       120.916       120.916       121.111        -0.195
RESID 759 (D):       HA         4.509         4.509         4.399         0.110
RESID 759 (D):       CA        52.171        52.171        54.713        -2.542
RESID 759 (D):       CB        38.009        38.009        40.392        -2.382
RESID 759 (D):        H         7.423         7.423         7.965        -0.542
RESID 760 (R):        N       124.819       124.819       126.358        -1.539
RESID 760 (R):       HA         3.768         3.768         3.930        -0.162
RESID 760 (R):       CA        58.275        58.275        58.670        -0.395
RESID 760 (R):       CB        30.249        30.249        30.564        -0.315
RESID 760 (R):        H         7.781         7.781         8.282        -0.501
RESID 761 (D):        N       113.673       113.673       113.396         0.277
RESID 761 (D):       HA         4.483         4.483         4.706        -0.223
RESID 761 (D):       CA        51.977        51.977        53.347        -1.370
RESID 761 (D):       CB        39.522        39.522        40.927        -1.405
RESID 761 (D):        H         7.821         7.821         7.960        -0.139
RESID 762 (H):        N       114.966       114.966       116.012        -1.046
RESID 762 (H):       HA         4.161         4.161         4.286        -0.125
RESID 762 (H):       CA        56.618        56.618        57.185        -0.567
RESID 762 (H):       CB        26.380        26.380        27.703        -1.323
RESID 762 (H):        H         7.744         7.744         7.584         0.160
RESID 763 (S):        N       115.077       115.077       114.441         0.636
RESID 763 (S):       HA         4.336         4.336         4.385        -0.049
RESID 763 (S):       CA        59.860        59.860        60.145        -0.284
RESID 763 (S):       CB        65.192        65.192        63.964         1.228
RESID 763 (S):        H         8.726         8.726         8.720         0.006
RESID 764 (G):        N       116.915       116.915       110.650         6.265
RESID 764 (G):       CA        45.449        45.449        45.558        -0.109
RESID 764 (G):        H        11.017        11.017         8.912         2.105
RESID 765 (T):        N       107.334       107.334       110.190        -2.856
RESID 765 (T):       HA         4.829         4.829         5.216        -0.387
RESID 765 (T):       CA        58.759        58.759        60.190        -1.431
RESID 765 (T):       CB        73.383        73.383        72.220         1.163
RESID 765 (T):        H         7.693         7.693         8.100        -0.407
RESID 766 (L):        N       124.664       124.664       124.433         0.231
RESID 766 (L):       HA         4.900         4.900         4.645         0.255
RESID 766 (L):       CA        52.339        52.339        53.711        -1.372
RESID 766 (L):       CB        42.339        42.339        43.007        -0.668
RESID 766 (L):        H         9.209         9.209         8.689         0.520
RESID 767 (G):        N       112.024       112.024       111.939         0.085
RESID 767 (G):       CA        44.123        44.123        43.782         0.341
RESID 767 (G):        H         8.910         8.910         8.855         0.055
RESID 768 (P):       HA         4.318         4.318         4.533        -0.215
RESID 768 (P):       CA        67.127        67.127        66.240         0.887
RESID 768 (P):       CB        32.029        32.029        32.090        -0.061
RESID 769 (E):        N       115.246       115.246       117.028        -1.782
RESID 769 (E):       HA         3.971         3.971         4.119        -0.148
RESID 769 (E):       CA        59.621        59.621        58.520         1.101
RESID 769 (E):       CB        28.628        28.628        29.039        -0.411
RESID 769 (E):        H         8.622         8.622         9.020        -0.398
RESID 770 (E):        N       121.127       121.127       118.127         3.000
RESID 770 (E):       HA         4.272         4.272         4.184         0.088
RESID 770 (E):       CA        58.497        58.497        58.476         0.021
RESID 770 (E):       CB        31.372        31.372        29.892         1.480
RESID 770 (E):        H         7.493         7.493         8.086        -0.593
RESID 771 (F):        N       117.688       117.688       122.039        -4.351
RESID 771 (F):       HA         4.355         4.355         4.255         0.100
RESID 771 (F):       CA        58.625        58.625        60.595        -1.970
RESID 771 (F):       CB        38.810        38.810        39.451        -0.641
RESID 771 (F):        H         9.110         9.110         8.935         0.175
RESID 772 (K):        N       119.789       119.789       118.452         1.337
RESID 772 (K):       HA         3.313         3.313         3.613        -0.300
RESID 772 (K):       CA        60.672        60.672        58.227         2.445
RESID 772 (K):       CB        31.979        31.979        30.803         1.175
RESID 772 (K):        H         8.594         8.594         8.100         0.494
RESID 773 (A):        N       118.461       118.461       120.700        -2.239
RESID 773 (A):       HA         3.881         3.881         3.997        -0.116
RESID 773 (A):       CA        55.013        55.013        53.770         1.243
RESID 773 (A):       CB        17.629        17.629        18.917        -1.288
RESID 773 (A):        H         7.231         7.231         7.513        -0.282
RESID 774 (C):        N       120.913       120.913       119.360         1.553
RESID 774 (C):       HA         2.435         2.435         2.846        -0.411
RESID 774 (C):       CA        61.174        61.174        61.379        -0.205
RESID 774 (C):       CB        26.215        26.215        26.264        -0.049
RESID 774 (C):        H         7.498         7.498         7.545        -0.047
RESID 775 (L):        N       119.201       119.201       119.088         0.113
RESID 775 (L):       HA         3.766         3.766         3.550         0.216
RESID 775 (L):       CA        57.932        57.932        56.541         1.391
RESID 775 (L):       CB        40.950        40.950        41.234        -0.284
RESID 775 (L):        H         8.372         8.372         7.569         0.803
RESID 776 (I):        N       121.051       121.051       118.592         2.459
RESID 776 (I):       HA         4.090         4.090         2.518         1.572
RESID 776 (I):       CA        65.244        65.244        64.191         1.053
RESID 776 (I):       CB        37.991        37.991        37.243         0.748
RESID 776 (I):        H         8.358         8.358         6.634         1.724
RESID 777 (S):        N       119.109       119.109       113.645         5.464
RESID 777 (S):       HA         4.291         4.291         4.163         0.128
RESID 777 (S):       CA        61.725        61.725        59.807         1.918
RESID 777 (S):       CB        62.995        62.995        63.143        -0.148
RESID 777 (S):        H         7.822         7.822         7.234         0.589
RESID 778 (L):        N       121.208       121.208       117.472         3.736
RESID 778 (L):       HA         4.506         4.506         4.394         0.112
RESID 778 (L):       CA        54.999        54.999        53.821         1.178
RESID 778 (L):       CB        42.670        42.670        42.502         0.168
RESID 778 (L):        H         7.671         7.671         7.080         0.591
RESID 779 (G):        N       106.232       106.232       106.877        -0.645
RESID 779 (G):       CA        45.287        45.287        45.066         0.221
RESID 779 (G):        H         7.897         7.897         7.266         0.631
RESID 780 (Y):        N       120.772       120.772       117.943         2.829
RESID 780 (Y):       HA         4.142         4.142         4.595        -0.453
RESID 780 (Y):       CA        59.231        59.231        55.165         4.066
RESID 780 (Y):       CB        38.341        38.341        38.422        -0.081
RESID 780 (Y):        H         8.072         8.072         7.446         0.626
RESID 781 (D):        N       124.304       124.304       117.960         6.344
RESID 781 (D):       HA         4.665         4.665         4.685        -0.020
RESID 781 (D):       CA        53.148        53.148        53.809        -0.662
RESID 781 (D):       CB        39.804        39.804        40.426        -0.622
RESID 781 (D):        H         8.862         8.862         9.119        -0.257
RESID 782 (I):        N       122.271       122.271       112.856         9.415
RESID 782 (I):       HA         4.341         4.341         4.290         0.051
RESID 782 (I):       CA        58.992        58.992        59.767        -0.776
RESID 782 (I):       CB        37.907        37.907        40.364        -2.457
RESID 782 (I):        H         7.344         7.344         6.916         0.428
RESID 783 (G):        N       112.322       112.322       108.353         3.969
RESID 783 (G):       CA        44.523        44.523        44.457         0.066
RESID 783 (G):        H         8.122         8.122         8.356        -0.234
RESID 784 (N):        N       118.727       118.727       115.575         3.152
RESID 784 (N):       HA         4.882         4.882         4.383         0.499
RESID 784 (N):       CA        52.098        52.098        54.655        -2.557
RESID 784 (N):       CB        37.424        37.424        38.225        -0.801
RESID 784 (N):        H         8.452         8.452         8.529        -0.077
RESID 785 (D):        N       119.826       119.826       118.156         1.670
RESID 785 (D):       HA         4.778         4.778         4.877        -0.099
RESID 785 (D):       CA        52.164        52.164        51.899         0.265
RESID 785 (D):       CB        39.657        39.657        42.154        -2.497
RESID 785 (D):        H         8.145         8.145         7.815         0.330
RESID 786 (P):       HA         4.271         4.271         4.423        -0.152
RESID 786 (P):       CA        66.265        66.265        64.357         1.908
RESID 786 (P):       CB        32.011        32.011        32.331        -0.320
RESID 787 (Q):        N       118.097       118.097       118.308        -0.211
RESID 787 (Q):       HA         4.141         4.141         4.112         0.029
RESID 787 (Q):       CA        59.115        59.115        57.991         1.124
RESID 787 (Q):       CB        27.732        27.732        28.851        -1.119
RESID 787 (Q):        H         8.409         8.409         8.548        -0.139
RESID 788 (G):        N       113.421       113.421       107.833         5.588
RESID 788 (G):       CA        47.317        47.317        46.868         0.449
RESID 788 (G):        H         8.644         8.644         9.098        -0.454
RESID 789 (E):        N       121.223       121.223       121.249        -0.026
RESID 789 (E):       HA         4.148         4.148         4.308        -0.160
RESID 789 (E):       CA        59.344        59.344        59.218         0.126
RESID 789 (E):       CB        29.435        29.435        29.369         0.066
RESID 789 (E):        H         8.514         8.514         8.031         0.483
RESID 790 (A):        N       122.879       122.879       122.564         0.315
RESID 790 (A):       HA         4.247         4.247         4.225         0.022
RESID 790 (A):       CA        54.907        54.907        55.100        -0.193
RESID 790 (A):       CB        17.780        17.780        18.494        -0.714
RESID 790 (A):        H         8.024         8.024         7.785         0.239
RESID 791 (E):        N       122.622       122.622       119.351         3.271
RESID 791 (E):       HA         4.687         4.687         4.090         0.597
RESID 791 (E):       CA        58.134        58.134        58.790        -0.656
RESID 791 (E):       CB        29.061        29.061        29.500        -0.438
RESID 791 (E):        H         8.280         8.280         7.874         0.406
RESID 792 (F):        N       119.949       119.949       120.894        -0.945
RESID 792 (F):       HA         4.038         4.038         4.239        -0.201
RESID 792 (F):       CA        61.812        61.812        61.134         0.678
RESID 792 (F):       CB        38.598        38.598        38.531         0.067
RESID 792 (F):        H         8.722         8.722         8.829        -0.107
RESID 793 (A):        N       119.652       119.652       121.794        -2.142
RESID 793 (A):       HA         3.854         3.854         3.304         0.550
RESID 793 (A):       CA        54.902        54.902        54.533         0.369
RESID 793 (A):       CB        17.628        17.628        17.847        -0.219
RESID 793 (A):        H         8.163         8.163         7.669         0.494
RESID 794 (R):        N       121.092       121.092       119.437         1.655
RESID 794 (R):       HA         3.910         3.910         4.022        -0.112
RESID 794 (R):       CA        59.471        59.471        58.843         0.629
RESID 794 (R):       CB        30.092        30.092        30.005         0.087
RESID 794 (R):        H         8.034         8.034         7.667         0.367
RESID 795 (I):        N       121.394       121.394       121.118         0.276
RESID 795 (I):       HA         3.388         3.388         3.746        -0.358
RESID 795 (I):       CA        65.848        65.848        65.116         0.732
RESID 795 (I):       CB        38.209        38.209        38.120         0.089
RESID 795 (I):        H         8.049         8.049         7.978         0.071
RESID 796 (M):        N       119.012       119.012       118.237         0.775
RESID 796 (M):       HA         4.155         4.155         3.927         0.228
RESID 796 (M):       CA        56.470        56.470        58.032        -1.562
RESID 796 (M):       CB        29.892        29.892        31.537        -1.645
RESID 796 (M):        H         8.589         8.589         8.241         0.348
RESID 797 (S):        N       114.132       114.132       112.773         1.359
RESID 797 (S):       HA         4.097         4.097         4.280        -0.183
RESID 797 (S):       CA        61.231        61.231        59.927         1.304
RESID 797 (S):       CB        62.895        62.895        63.424        -0.529
RESID 797 (S):        H         7.732         7.732         7.487         0.245
RESID 798 (I):        N       120.873       120.873       116.620         4.253
RESID 798 (I):       HA         3.818         3.818         4.129        -0.311
RESID 798 (I):       CA        63.875        63.875        63.116         0.759
RESID 798 (I):       CB        38.863        38.863        38.874        -0.011
RESID 798 (I):        H         7.352         7.352         7.658        -0.306
RESID 799 (V):        N       110.552       110.552       112.574        -2.022
RESID 799 (V):       HA         4.243         4.243         4.084         0.159
RESID 799 (V):       CA        62.616        62.616        61.062         1.554
RESID 799 (V):       CB        32.416        32.416        31.389         1.027
RESID 799 (V):        H         7.648         7.648         7.887        -0.239
RESID 800 (D):        N       119.435       119.435       120.556        -1.121
RESID 800 (D):       HA         5.225         5.225         5.097         0.128
RESID 800 (D):       CA        51.715        51.715        49.914         1.801
RESID 800 (D):       CB        41.086        41.086        41.577        -0.491
RESID 800 (D):        H         8.074         8.074         7.468         0.606
RESID 801 (P):       HA         4.331         4.331         4.363        -0.032
RESID 801 (P):       CA        64.819        64.819        63.944         0.875
RESID 801 (P):       CB        31.689        31.689        32.011        -0.322
RESID 802 (N):        N       115.164       115.164       116.672        -1.508
RESID 802 (N):       HA         4.760         4.760         4.721         0.039
RESID 802 (N):       CA        52.998        52.998        52.824         0.174
RESID 802 (N):       CB        37.952        37.952        39.520        -1.568
RESID 802 (N):        H         8.949         8.949         7.638         1.311
RESID 803 (R):        N       117.446       117.446       116.517         0.929
RESID 803 (R):       HA         3.830         3.830         4.160        -0.330
RESID 803 (R):       CA        56.888        56.888        57.055        -0.167
RESID 803 (R):       CB        26.354        26.354        27.502        -1.148
RESID 803 (R):        H         7.958         7.958         7.906         0.052
RESID 804 (L):        N       123.307       123.307       116.604         6.703
RESID 804 (L):       HA         4.156         4.156         4.720        -0.564
RESID 804 (L):       CA        56.373        56.373        54.503         1.870
RESID 804 (L):       CB        42.930        42.930        42.061         0.869
RESID 804 (L):        H        10.591        10.591         8.195         2.396
RESID 805 (G):        N       110.516       110.516       107.815         2.701
RESID 805 (G):       CA        44.944        44.944        45.783        -0.839
RESID 805 (G):        H        11.001        11.001         8.830         2.171
RESID 806 (V):        N       109.840       109.840       114.962        -5.122
RESID 806 (V):       HA         4.571         4.571         4.320         0.251
RESID 806 (V):       CA        58.566        58.566        60.203        -1.637
RESID 806 (V):       CB        36.853        36.853        34.913         1.940
RESID 806 (V):        H         6.831         6.831         7.093        -0.262
RESID 807 (V):        N       122.184       122.184       123.194        -1.010
RESID 807 (V):       HA         4.167         4.167         4.381        -0.214
RESID 807 (V):       CA        61.644        61.644        60.754         0.890
RESID 807 (V):       CB        32.383        32.383        30.961         1.422
RESID 807 (V):        H         9.007         9.007         8.877         0.130
RESID 808 (T):        N       117.391       117.391       117.749        -0.358
RESID 808 (T):       HA         4.593         4.593         4.592         0.001
RESID 808 (T):       CA        60.615        60.615        59.120         1.495
RESID 808 (T):       CB        70.695        70.695        71.527        -0.832
RESID 808 (T):        H         7.925         7.925         7.537         0.388
RESID 809 (F):        N       122.236       122.236       118.851         3.385
RESID 809 (F):       HA         3.640         3.640         4.501        -0.861
RESID 809 (F):       CA        61.749        61.749        61.534         0.215
RESID 809 (F):       CB        38.177        38.177        37.527         0.650
RESID 809 (F):        H         9.349         9.349         8.242         1.107
RESID 810 (Q):        N       116.788       116.788       117.411        -0.623
RESID 810 (Q):       HA         3.598         3.598         4.213        -0.615
RESID 810 (Q):       CA        58.582        58.582        57.847         0.735
RESID 810 (Q):       CB        28.199        28.199        28.502        -0.303
RESID 810 (Q):        H         8.572         8.572         7.898         0.674
RESID 811 (A):        N       121.208       121.208       121.926        -0.718
RESID 811 (A):       HA         4.119         4.119         4.210        -0.091
RESID 811 (A):       CA        54.911        54.911        53.773         1.138
RESID 811 (A):       CB        19.265        19.265        18.931         0.334
RESID 811 (A):        H         7.667         7.667         7.680        -0.013
RESID 812 (F):        N       119.805       119.805       118.949         0.856
RESID 812 (F):       HA         3.980         3.980         4.382        -0.402
RESID 812 (F):       CA        61.740        61.740        62.090        -0.349
RESID 812 (F):       CB        39.670        39.670        38.734         0.936
RESID 812 (F):        H         8.400         8.400         8.386         0.014
RESID 813 (I):        N       118.098       118.098       118.781        -0.683
RESID 813 (I):       HA         3.146         3.146         4.003        -0.857
RESID 813 (I):       CA        63.299        63.299        62.669         0.630
RESID 813 (I):       CB        36.202        36.202        36.401        -0.199
RESID 813 (I):        H         8.364         8.364         7.845         0.519
RESID 814 (D):        N       123.528       123.528       120.258         3.270
RESID 814 (D):       HA         4.196         4.196         4.396        -0.200
RESID 814 (D):       CA        57.680        57.680        57.536         0.144
RESID 814 (D):       CB        40.236        40.236        40.678        -0.443
RESID 814 (D):        H         8.221         8.221         7.927         0.294
RESID 815 (F):        N       120.584       120.584       120.281         0.303
RESID 815 (F):       HA         4.129         4.129         4.434        -0.305
RESID 815 (F):       CA        61.084        61.084        60.574         0.510
RESID 815 (F):       CB        39.698        39.698        39.683         0.015
RESID 815 (F):        H         7.887         7.887         7.770         0.117
RESID 816 (M):        N       116.960       116.960       118.214        -1.254
RESID 816 (M):       HA         3.782         3.782         4.116        -0.334
RESID 816 (M):       CA        55.662        55.662        56.904        -1.242
RESID 816 (M):       CB        30.033        30.033        31.691        -1.658
RESID 816 (M):        H         8.372         8.372         8.096         0.276
RESID 817 (S):        N       114.277       114.277       112.082         2.195
RESID 817 (S):       HA         4.194         4.194         4.408        -0.214
RESID 817 (S):       CA        60.521        60.521        59.758         0.763
RESID 817 (S):       CB        63.185        63.185        63.452        -0.267
RESID 817 (S):        H         8.074         8.074         8.332        -0.258
RESID 818 (R):        N       121.493       121.493       122.158        -0.665
RESID 818 (R):       HA         4.124         4.124         4.097         0.027
RESID 818 (R):       CA        57.684        57.684        57.314         0.370
RESID 818 (R):       CB        30.315        30.315        29.485         0.830
RESID 818 (R):        H         7.288         7.288         7.766        -0.478
RESID 819 (E):        N       119.737       119.737       117.682         2.055
RESID 819 (E):       HA         4.101         4.101         4.103        -0.002
RESID 819 (E):       CA        57.066        57.066        58.558        -1.492
RESID 819 (E):       CB        30.491        30.491        29.230         1.261
RESID 819 (E):        H         8.045         8.045         7.570         0.475
RESID 820 (T):        N       112.128       112.128       109.367         2.761
RESID 820 (T):       HA         4.280         4.280         3.641         0.639
RESID 820 (T):       CA        62.055        62.055        62.555        -0.500
RESID 820 (T):       CB        69.828        69.828        68.669         1.159
RESID 820 (T):        H         7.760         7.760         7.302         0.458
RESID 821 (A):        N       126.098       126.098       123.907         2.191
RESID 821 (A):       HA         4.284         4.284         4.413        -0.129
RESID 821 (A):       CA        52.726        52.726        50.621         2.105
RESID 821 (A):       CB        19.304        19.304        20.574        -1.270
RESID 821 (A):        H         7.957         7.957         7.140         0.817
RESID 822 (D):        N       119.904       119.904       124.762        -4.858
RESID 822 (D):       HA         4.613         4.613         4.773        -0.160
RESID 822 (D):       CA        54.335        54.335        55.598        -1.263
RESID 822 (D):       CB        41.032        41.032        41.844        -0.812
RESID 822 (D):        H         8.352         8.352         8.684        -0.332
RESID 823 (T):        N       114.142       114.142       113.930         0.212
RESID 823 (T):       HA         4.278         4.278         4.662        -0.384
RESID 823 (T):       CA        62.117        62.117        61.020         1.097
RESID 823 (T):       CB        69.584        69.584        72.030        -2.446
RESID 823 (T):        H         8.079         8.079         8.500        -0.421
RESID 824 (D):        N       123.261       123.261       121.287         1.974
RESID 824 (D):       HA         4.657         4.657         4.583         0.074
RESID 824 (D):       CA        54.786        54.786        56.096        -1.310
RESID 824 (D):       CB        41.085        41.085        40.468         0.617
RESID 824 (D):        H         8.431         8.431         8.821        -0.390
RESID 825 (T):        N       114.932       114.932       114.198         0.734
RESID 825 (T):       HA         4.161         4.161         4.160         0.000
RESID 825 (T):       CA        63.109        63.109        64.754        -1.645
RESID 825 (T):       CB        69.455        69.455        68.178         1.277
RESID 825 (T):        H         8.155         8.155         8.647        -0.492
RESID 826 (A):        N       124.961       124.961       124.572         0.389
RESID 826 (A):       HA         4.160         4.160         4.050         0.110
RESID 826 (A):       CA        54.392        54.392        54.258         0.134
RESID 826 (A):       CB        18.610        18.610        18.226         0.384
RESID 826 (A):        H         8.379         8.379         8.222         0.157
RESID 827 (D):        N       117.765       117.765       118.257        -0.492
RESID 827 (D):       HA         4.425         4.425         4.281         0.144
RESID 827 (D):       CA        56.051        56.051        57.343        -1.292
RESID 827 (D):       CB        40.559        40.559        40.910        -0.351
RESID 827 (D):        H         8.250         8.250         7.842         0.408
RESID 828 (Q):        N       120.523       120.523       118.329         2.194
RESID 828 (Q):       HA         4.091         4.091         4.079         0.012
RESID 828 (Q):       CA        57.814        57.814        58.356        -0.542
RESID 828 (Q):       CB        28.549        28.549        28.682        -0.133
RESID 828 (Q):        H         8.076         8.076         7.711         0.365
RESID 829 (V):        N       120.970       120.970       118.924         2.046
RESID 829 (V):       HA         3.525         3.525         3.837        -0.312
RESID 829 (V):       CA        65.194        65.194        63.876         1.318
RESID 829 (V):       CB        31.541        31.541        31.702        -0.161
RESID 829 (V):        H         8.051         8.051         7.256         0.795
RESID 830 (M):        N       119.572       119.572       118.481         1.091
RESID 830 (M):       HA         4.006         4.006         2.847         1.159
RESID 830 (M):       CA        57.977        57.977        57.972         0.005
RESID 830 (M):       CB        31.995        31.995        31.492         0.503
RESID 830 (M):        H         8.110         8.110         8.583        -0.473
RESID 831 (A):        N       121.059       121.059       122.431        -1.372
RESID 831 (A):       HA         4.045         4.045         3.945         0.100
RESID 831 (A):       CA        54.501        54.501        54.433         0.068
RESID 831 (A):       CB        18.067        18.067        17.630         0.437
RESID 831 (A):        H         7.836         7.836         7.682         0.154
RESID 832 (S):        N       114.256       114.256       115.798        -1.542
RESID 832 (S):       HA         4.141         4.141         4.122         0.019
RESID 832 (S):       CA        60.845        60.845        61.506        -0.661
RESID 832 (S):       CB        62.613        62.613        62.820        -0.207
RESID 832 (S):        H         7.714         7.714         7.671         0.043
RESID 833 (F):        N       121.847       121.847       120.097         1.750
RESID 833 (F):       HA         3.823         3.823         4.163        -0.340
RESID 833 (F):       CA        58.627        58.627        58.195         0.432
RESID 833 (F):       CB        38.127        38.127        37.638         0.489
RESID 833 (F):        H         7.740         7.740         7.686         0.054
RESID 834 (K):        N       118.759       118.759       120.390        -1.631
RESID 834 (K):       HA         3.589         3.589         3.634        -0.045
RESID 834 (K):       CA        59.384        59.384        58.311         1.073
RESID 834 (K):       CB        32.143        32.143        31.796         0.347
RESID 834 (K):        H         7.843         7.843         7.706         0.137
RESID 835 (I):        N       118.537       118.537       120.188        -1.651
RESID 835 (I):       HA         3.736         3.736         3.710         0.026
RESID 835 (I):       CA        63.714        63.714        64.981        -1.268
RESID 835 (I):       CB        37.825        37.825        38.042        -0.217
RESID 835 (I):        H         7.315         7.315         7.221         0.094
RESID 836 (L):        N       121.201       121.201       119.543         1.658
RESID 836 (L):       HA         3.955         3.955         3.907         0.048
RESID 836 (L):       CA        57.074        57.074        57.557        -0.483
RESID 836 (L):       CB        42.415        42.415        41.916         0.499
RESID 836 (L):        H         7.625         7.625         8.117        -0.492
RESID 837 (A):        N       119.184       119.184       118.166         1.018
RESID 837 (A):       HA         3.895         3.895         3.945        -0.050
RESID 837 (A):       CA        53.301        53.301        53.911        -0.610
RESID 837 (A):       CB        19.338        19.338        19.251         0.087
RESID 837 (A):        H         8.099         8.099         7.633         0.466
RESID 838 (G):        N       107.030       107.030       106.455         0.575
RESID 838 (G):       CA        46.918        46.918        46.869         0.049
RESID 838 (G):        H         7.676         7.676         8.436        -0.760
RESID 839 (D):        N       122.291       122.291       124.598        -2.307
RESID 839 (D):       HA         4.477         4.477         4.756        -0.279
RESID 839 (D):       CA        54.511        54.511        54.419         0.092
RESID 839 (D):       CB        40.181        40.181        42.311        -2.130
RESID 839 (D):        H         8.704         8.704         8.205         0.499
RESID 840 (K):        N       117.582       117.582       121.638        -4.056
RESID 840 (K):       HA         4.301         4.301         4.461        -0.160
RESID 840 (K):       CA        55.780        55.780        56.192        -0.412
RESID 840 (K):       CB        33.710        33.710        33.097         0.613
RESID 840 (K):        H         7.583         7.583         7.376         0.207
RESID 841 (N):        N       116.678       116.678       117.268        -0.590
RESID 841 (N):       HA         4.611         4.611         4.603         0.008
RESID 841 (N):       CA        53.466        53.466        53.866        -0.400
RESID 841 (N):       CB        39.155        39.155        39.027         0.128
RESID 841 (N):        H         8.693         8.693         8.901        -0.208
RESID 842 (Y):        N       112.236       112.236       114.084        -1.848
RESID 842 (Y):       HA         4.986         4.986         4.935         0.051
RESID 842 (Y):       CA        54.918        54.918        56.226        -1.308
RESID 842 (Y):       CB        40.595        40.595        40.406         0.189
RESID 842 (Y):        H         6.637         6.637         7.353        -0.716
RESID 843 (I):        N       115.475       115.475       120.636        -5.161
RESID 843 (I):       HA         4.792         4.792         4.527         0.265
RESID 843 (I):       CA        58.957        58.957        58.356         0.601
RESID 843 (I):       CB        43.009        43.009        43.133        -0.124
RESID 843 (I):        H         8.630         8.630         9.252        -0.622
RESID 844 (T):        N       117.169       117.169       118.589        -1.420
RESID 844 (T):       HA         5.370         5.370         5.221         0.148
RESID 844 (T):       CA        60.177        60.177        60.440        -0.263
RESID 844 (T):       CB        71.088        71.088        70.468         0.620
RESID 844 (T):        H         9.330         9.330         9.293         0.037
RESID 845 (M):        N       119.860       119.860       120.781        -0.921
RESID 845 (M):       HA         3.824         3.824         3.995        -0.171
RESID 845 (M):       CA        60.321        60.321        60.490        -0.169
RESID 845 (M):       CB        33.030        33.030        32.153         0.877
RESID 845 (M):        H         8.556         8.556         8.625        -0.069
RESID 846 (D):        N       116.363       116.363       118.659        -2.296
RESID 846 (D):       HA         4.280         4.280         4.458        -0.178
RESID 846 (D):       CA        57.404        57.404        56.653         0.751
RESID 846 (D):       CB        40.584        40.584        40.701        -0.117
RESID 846 (D):        H         8.377         8.377         8.511        -0.134
RESID 847 (E):        N       120.577       120.577       118.886         1.691
RESID 847 (E):       HA         3.854         3.854         4.115        -0.261
RESID 847 (E):       CA        59.657        59.657        58.949         0.709
RESID 847 (E):       CB        29.660        29.660        30.053        -0.393
RESID 847 (E):        H         7.855         7.855         7.602         0.253
RESID 848 (L):        N       118.714       118.714       119.515        -0.801
RESID 848 (L):       HA         3.822         3.822         4.058        -0.236
RESID 848 (L):       CA        58.725        58.725        57.660         1.065
RESID 848 (L):       CB        42.457        42.457        41.855         0.602
RESID 848 (L):        H         7.849         7.849         7.435         0.414
RESID 849 (R):        N       113.972       113.972       115.683        -1.711
RESID 849 (R):       HA         3.924         3.924         4.443        -0.519
RESID 849 (R):       CA        58.595        58.595        57.579         1.016
RESID 849 (R):       CB        30.100        30.100        29.653         0.447
RESID 849 (R):        H         8.053         8.053         7.830         0.223
RESID 850 (R):        N       118.178       118.178       119.163        -0.985
RESID 850 (R):       HA         4.193         4.193         4.348        -0.155
RESID 850 (R):       CA        58.245        58.245        57.949         0.296
RESID 850 (R):       CB        31.120        31.120        30.724         0.396
RESID 850 (R):        H         7.743         7.743         7.705         0.038
RESID 851 (E):        N       115.518       115.518       117.909        -2.391
RESID 851 (E):       HA         4.350         4.350         4.318         0.032
RESID 851 (E):       CA        56.886        56.886        57.921        -1.035
RESID 851 (E):       CB        31.590        31.590        30.534         1.056
RESID 851 (E):        H         7.596         7.596         7.781        -0.185
RESID 852 (L):        N       119.148       119.148       122.147        -2.999
RESID 852 (L):       HA         4.894         4.894         5.232        -0.338
RESID 852 (L):       CA        52.174        52.174        50.965         1.209
RESID 852 (L):       CB        42.469        42.469        41.165         1.304
RESID 852 (L):        H         7.890         7.890         8.002        -0.112
RESID 853 (P):       HA         4.347         4.347         4.449        -0.102
RESID 853 (P):       CA        65.119        65.119        64.091         1.028
RESID 853 (P):       CB        31.631        31.631        30.823         0.808
RESID 854 (P):       HA         4.270         4.270         4.480        -0.210
RESID 854 (P):       CA        66.336        66.336        61.940         4.396
RESID 854 (P):       CB        32.256        32.256        33.092        -0.836
RESID 855 (D):        N       114.865       114.865       119.289        -4.424
RESID 855 (D):       HA         4.349         4.349         4.425        -0.076
RESID 855 (D):       CA        56.913        56.913        57.316        -0.403
RESID 855 (D):       CB        39.244        39.244        40.897        -1.653
RESID 855 (D):        H         8.801         8.801         8.277         0.524
RESID 856 (Q):        N       121.465       121.465       118.722         2.743
RESID 856 (Q):       HA         4.199         4.199         4.295        -0.096
RESID 856 (Q):       CA        58.317        58.317        59.355        -1.038
RESID 856 (Q):       CB        29.247        29.247        28.320         0.927
RESID 856 (Q):        H         7.472         7.472         8.505        -1.033
RESID 857 (A):        N       122.805       122.805       122.324         0.481
RESID 857 (A):       HA         3.799         3.799         3.928        -0.129
RESID 857 (A):       CA        56.303        56.303        56.061         0.242
RESID 857 (A):       CB        17.944        17.944        18.278        -0.334
RESID 857 (A):        H         8.882         8.882         8.273         0.609
RESID 858 (E):        N       114.094       114.094       118.850        -4.756
RESID 858 (E):       HA         4.024         4.024         4.046        -0.022
RESID 858 (E):       CA        58.682        58.682        58.621         0.061
RESID 858 (E):       CB        28.639        28.639        29.097        -0.458
RESID 858 (E):        H         8.155         8.155         7.850         0.305
RESID 859 (Y):        N       120.665       120.665       122.585        -1.920
RESID 859 (Y):       HA         4.084         4.084         4.200        -0.116
RESID 859 (Y):       CA        61.006        61.006        61.088        -0.082
RESID 859 (Y):       CB        38.687        38.687        38.143         0.544
RESID 859 (Y):        H         7.708         7.708         8.699        -0.991
RESID 860 (C):        N       115.812       115.812       117.191        -1.379
RESID 860 (C):       HA         4.158         4.158         3.361         0.797
RESID 860 (C):       CA        64.254        64.254        64.326        -0.073
RESID 860 (C):       CB        27.304        27.304        26.965         0.339
RESID 860 (C):        H         8.113         8.113         7.861         0.252
RESID 861 (I):        N       120.078       120.078       119.558         0.520
RESID 861 (I):       HA         3.339         3.339         3.582        -0.243
RESID 861 (I):       CA        65.643        65.643        65.317         0.326
RESID 861 (I):       CB        38.714        38.714        37.888         0.826
RESID 861 (I):        H         8.453         8.453         7.760         0.693
RESID 862 (A):        N       116.691       116.691       120.911        -4.220
RESID 862 (A):       HA         4.209         4.209         4.027         0.182
RESID 862 (A):       CA        53.222        53.222        54.675        -1.453
RESID 862 (A):       CB        19.002        19.002        19.286        -0.284
RESID 862 (A):        H         7.307         7.307         8.145        -0.838
RESID 863 (R):        N       117.226       117.226       116.263         0.963
RESID 863 (R):       HA         4.274         4.274         4.396        -0.122
RESID 863 (R):       CA        56.051        56.051        57.212        -1.161
RESID 863 (R):       CB        31.389        31.389        30.751         0.638
RESID 863 (R):        H         7.358         7.358         7.577        -0.219
RESID 864 (M):        N       117.583       117.583       118.609        -1.026
RESID 864 (M):       HA         4.561         4.561         4.451         0.110
RESID 864 (M):       CA        54.927        54.927        56.164        -1.237
RESID 864 (M):       CB        37.418        37.418        34.097         3.321
RESID 864 (M):        H         7.153         7.153         7.578        -0.425
RESID 865 (A):        N       124.643       124.643       126.169        -1.526
RESID 865 (A):       HA         3.866         3.866         4.567        -0.701
RESID 865 (A):       CA        49.194        49.194        49.838        -0.644
RESID 865 (A):       CB        18.647        18.647        18.247         0.400
RESID 865 (A):        H         8.557         8.557         8.143         0.414
RESID 866 (P):       HA         4.496         4.496         4.481         0.015
RESID 866 (P):       CA        62.724        62.724        62.971        -0.247
RESID 866 (P):       CB        31.980        31.980        30.444         1.536
RESID 867 (Y):        N       122.461       122.461       126.020        -3.559
RESID 867 (Y):       HA         4.728         4.728         4.499         0.229
RESID 867 (Y):       CA        57.096        57.096        55.904         1.192
RESID 867 (Y):       CB        39.175        39.175        37.392         1.784
RESID 867 (Y):        H         8.128         8.128         8.144        -0.016
RESID 868 (T):       HA         4.351         4.351         4.689        -0.338
RESID 868 (T):       CA        60.271        60.271        60.037         0.234
RESID 868 (T):       CB        68.737        68.737        71.691        -2.954
RESID 869 (G):       CA        44.914        44.914        45.254        -0.340
RESID 870 (P):       HA         4.329         4.329         4.426        -0.097
RESID 870 (P):       CA        64.697        64.697        63.989         0.708
RESID 870 (P):       CB        31.579        31.579        31.901        -0.322
RESID 871 (D):        N       116.207       116.207       116.051         0.156
RESID 871 (D):       HA         4.604         4.604         4.608        -0.004
RESID 871 (D):       CA        52.749        52.749        54.252        -1.503
RESID 871 (D):       CB        38.929        38.929        40.662        -1.733
RESID 871 (D):        H         9.267         9.267         8.487         0.780
RESID 872 (S):        N       112.349       112.349       114.582        -2.233
RESID 872 (S):       HA         3.497         3.497         4.642        -1.145
RESID 872 (S):       CA        59.065        59.065        57.391         1.675
RESID 872 (S):       CB        63.125        63.125        66.494        -3.369
RESID 872 (S):        H         7.487         7.487         7.391         0.096
RESID 873 (V):        N       113.567       113.567       114.115        -0.548
RESID 873 (V):       HA         4.729         4.729         4.673         0.056
RESID 873 (V):       CA        58.044        58.044        57.714         0.330
RESID 873 (V):       CB        32.911        32.911        32.920        -0.009
RESID 873 (V):        H         6.411         6.411         8.212        -1.801
RESID 874 (P):       HA         4.296         4.296         4.432        -0.136
RESID 874 (P):       CA        64.335        64.335        63.944         0.391
RESID 874 (P):       CB        31.515        31.515        31.809        -0.294
RESID 875 (G):        N       112.118       112.118       107.140         4.978
RESID 875 (G):       CA        45.557        45.557        44.458         1.099
RESID 875 (G):        H         8.800         8.800         8.102         0.698
RESID 876 (A):        N       120.262       120.262       123.945        -3.683
RESID 876 (A):       HA         4.100         4.100         5.627        -1.527
RESID 876 (A):       CA        53.073        53.073        50.215         2.858
RESID 876 (A):       CB        20.508        20.508        21.656        -1.148
RESID 876 (A):        H         7.762         7.762         7.595         0.167
RESID 877 (L):        N       125.695       125.695       121.019         4.676
RESID 877 (L):       HA         4.776         4.776         5.126        -0.350
RESID 877 (L):       CA        54.269        54.269        53.712         0.557
RESID 877 (L):       CB        44.799        44.799        47.012        -2.213
RESID 877 (L):        H         9.595         9.595         9.300         0.295
RESID 878 (D):        N       119.823       119.823       121.816        -1.993
RESID 878 (D):       HA         4.879         4.879         4.558         0.321
RESID 878 (D):       CA        51.997        51.997        52.667        -0.670
RESID 878 (D):       CB        40.781        40.781        41.441        -0.661
RESID 878 (D):        H         9.031         9.031         7.888         1.143
RESID 879 (Y):        N       126.556       126.556       123.226         3.330
RESID 879 (Y):       HA         4.591         4.591         4.284         0.307
RESID 879 (Y):       CA        59.396        59.396        59.833        -0.437
RESID 879 (Y):       CB        37.321        37.321        37.784        -0.463
RESID 879 (Y):        H         7.456         7.456         7.990        -0.534
RESID 880 (M):        N       119.958       119.958       114.338         5.620
RESID 880 (M):       HA         4.605         4.605         4.811        -0.206
RESID 880 (M):       CA        56.044        56.044        56.822        -0.778
RESID 880 (M):       CB        30.101        30.101        33.747        -3.646
RESID 880 (M):        H         7.627         7.627         7.710        -0.083
RESID 881 (S):        N       114.328       114.328       115.810        -1.482
RESID 881 (S):       HA         4.471         4.471         4.593        -0.122
RESID 881 (S):       CA        58.917        58.917        57.651         1.266
RESID 881 (S):       CB        64.447        64.447        63.577         0.870
RESID 881 (S):        H         7.726         7.726         8.230        -0.504
RESID 882 (F):        N       122.735       122.735       120.683         2.052
RESID 882 (F):       HA         4.722         4.722         4.358         0.364
RESID 882 (F):       CA        59.231        59.231        57.877         1.354
RESID 882 (F):       CB        40.285        40.285        39.278         1.007
RESID 882 (F):        H         7.385         7.385         7.626        -0.241
RESID 883 (S):        N       120.156       120.156       117.463         2.693
RESID 883 (S):       HA         4.299         4.299         4.385        -0.086
RESID 883 (S):       CA        57.280        57.280        57.041         0.239
RESID 883 (S):       CB        64.601        64.601        63.749         0.852
RESID 883 (S):        H         7.472         7.472         8.518        -1.046
RESID 884 (T):        N       110.683       110.683       121.185       -10.502
RESID 884 (T):       HA         3.966         3.966         4.081        -0.115
RESID 884 (T):       CA        63.465        63.465        63.540        -0.075
RESID 884 (T):       CB        68.899        68.899        68.344         0.555
RESID 884 (T):        H         7.996         7.996         8.325        -0.329
RESID 885 (A):        N       125.456       125.456       122.902         2.554
RESID 885 (A):       HA         4.236         4.236         4.354        -0.118
RESID 885 (A):       CA        52.030        52.030        51.680         0.350
RESID 885 (A):       CB        19.225        19.225        19.048         0.177
RESID 885 (A):        H         7.905         7.905         7.343         0.562
RESID 886 (L):        N       120.638       120.638       117.276         3.362
RESID 886 (L):       HA         4.002         4.002         3.835         0.167
RESID 886 (L):       CA        55.462        55.462        55.039         0.423
RESID 886 (L):       CB        42.265        42.265        40.905         1.360
RESID 886 (L):        H         8.079         8.079         7.127         0.953
RESID 887 (Y):        N       121.526       121.526       118.951         2.575
RESID 887 (Y):       HA         4.356         4.356         4.303         0.053
RESID 887 (Y):       CA        58.750        58.750        58.820        -0.070
RESID 887 (Y):       CB        38.569        38.569        38.227         0.342
RESID 887 (Y):        H         8.267         8.267         8.138         0.129
RESID 888 (G):        N       112.379       112.379       109.382         2.997
RESID 888 (G):       CA        45.090        45.090        44.452         0.638
RESID 888 (G):        H         8.087         8.087         8.132        -0.045
RESID 889 (E):        N       120.255       120.255       122.449        -2.194
RESID 889 (E):       HA         4.256         4.256         4.851        -0.595
RESID 889 (E):       CA        56.445        56.445        56.331         0.114
RESID 889 (E):       CB        30.393        30.393        30.872        -0.479
RESID 889 (E):        H         7.994         7.994         8.588        -0.594
RESID 890 (S):        N       116.375       116.375       118.710        -2.335
RESID 890 (S):       HA         4.415         4.415         4.651        -0.236
RESID 890 (S):       CA        58.204        58.204        57.779         0.425
RESID 890 (S):       CB        63.913        63.913        64.686        -0.773
RESID 890 (S):        H         8.329         8.329         8.549        -0.220
RESID 891 (D):        N       123.017       123.017       122.699         0.318
RESID 891 (D):       HA         4.610         4.610         4.894        -0.284
RESID 891 (D):       CA        54.371        54.371        54.117         0.254
RESID 891 (D):       CB        41.013        41.013        41.306        -0.293
RESID 891 (D):        H         8.394         8.394         8.461        -0.067

                         N          HA           C          CA          CB           H
RESID 743 (I):       0.472       0.410       -----      -1.298       0.217       0.598
RESID 744 (S):       1.515      -0.249       -----       0.133      -0.489       0.480
RESID 745 (Q):       0.229      -0.213       -----      -0.179      -0.121      -0.076
RESID 746 (E):      -0.165      -0.210       -----       1.774      -0.566       0.335
RESID 747 (Q):      -0.080      -0.361       -----      -0.502       0.341      -0.490
RESID 748 (M):       4.156      -0.288       -----      -1.026      -1.509       0.391
RESID 749 (N):      -0.770      -0.030       -----      -0.179      -1.445       0.673
RESID 750 (E):       2.849       0.029       -----       0.716      -0.113      -0.525
RESID 751 (F):      -2.365       0.584       -----      -1.181      -1.831       0.169
RESID 752 (R):       0.341       0.230       -----       1.397       1.363       1.005
RESID 753 (A):      -1.398      -0.202       -----       0.821      -0.007       0.199
RESID 754 (S):       0.532       0.151       -----       2.925       0.640       0.507
RESID 755 (F):       3.386      -0.328       -----       3.256       1.319       1.012
RESID 756 (N):       0.579      -0.023       -----       3.329      -1.358       0.842
RESID 757 (H):      -1.018      -0.228       -----       0.926      -0.497       0.393
RESID 758 (F):      -3.058      -0.379       -----       2.407      -1.635       0.078
RESID 759 (D):      -0.195       0.110       -----      -2.542      -2.382      -0.542
RESID 760 (R):      -1.539      -0.162       -----      -0.395      -0.315      -0.501
RESID 761 (D):       0.277      -0.223       -----      -1.370      -1.405      -0.139
RESID 762 (H):      -1.046      -0.125       -----      -0.567      -1.323       0.160
RESID 763 (S):       0.636      -0.049       -----      -0.284       1.228       0.006
RESID 764 (G):       6.265       -----       -----      -0.109       -----       2.105
RESID 765 (T):      -2.856      -0.387       -----      -1.431       1.163      -0.407
RESID 766 (L):       0.231       0.255       -----      -1.372      -0.668       0.520
RESID 767 (G):       0.085       -----       -----       0.341       -----       0.055
RESID 768 (P):       -----      -0.215       -----       0.887      -0.061       -----
RESID 769 (E):      -1.782      -0.148       -----       1.101      -0.411      -0.398
RESID 770 (E):       3.000       0.088       -----       0.021       1.480      -0.593
RESID 771 (F):      -4.351       0.100       -----      -1.970      -0.641       0.175
RESID 772 (K):       1.337      -0.300       -----       2.445       1.175       0.494
RESID 773 (A):      -2.239      -0.116       -----       1.243      -1.288      -0.282
RESID 774 (C):       1.553      -0.411       -----      -0.205      -0.049      -0.047
RESID 775 (L):       0.113       0.216       -----       1.391      -0.284       0.803
RESID 776 (I):       2.459       1.572       -----       1.053       0.748       1.724
RESID 777 (S):       5.464       0.128       -----       1.918      -0.148       0.589
RESID 778 (L):       3.736       0.112       -----       1.178       0.168       0.591
RESID 779 (G):      -0.645       -----       -----       0.221       -----       0.631
RESID 780 (Y):       2.829      -0.453       -----       4.066      -0.081       0.626
RESID 781 (D):       6.344      -0.020       -----      -0.662      -0.622      -0.257
RESID 782 (I):       9.415       0.051       -----      -0.776      -2.457       0.428
RESID 783 (G):       3.969       -----       -----       0.066       -----      -0.234
RESID 784 (N):       3.152       0.499       -----      -2.557      -0.801      -0.077
RESID 785 (D):       1.670      -0.099       -----       0.265      -2.497       0.330
RESID 786 (P):       -----      -0.152       -----       1.908      -0.320       -----
RESID 787 (Q):      -0.211       0.029       -----       1.124      -1.119      -0.139
RESID 788 (G):       5.588       -----       -----       0.449       -----      -0.454
RESID 789 (E):      -0.026      -0.160       -----       0.126       0.066       0.483
RESID 790 (A):       0.315       0.022       -----      -0.193      -0.714       0.239
RESID 791 (E):       3.271       0.597       -----      -0.656      -0.438       0.406
RESID 792 (F):      -0.945      -0.201       -----       0.678       0.067      -0.107
RESID 793 (A):      -2.142       0.550       -----       0.369      -0.219       0.494
RESID 794 (R):       1.655      -0.112       -----       0.629       0.087       0.367
RESID 795 (I):       0.276      -0.358       -----       0.732       0.089       0.071
RESID 796 (M):       0.775       0.228       -----      -1.562      -1.645       0.348
RESID 797 (S):       1.359      -0.183       -----       1.304      -0.529       0.245
RESID 798 (I):       4.253      -0.311       -----       0.759      -0.011      -0.306
RESID 799 (V):      -2.022       0.159       -----       1.554       1.027      -0.239
RESID 800 (D):      -1.121       0.128       -----       1.801      -0.491       0.606
RESID 801 (P):       -----      -0.032       -----       0.875      -0.322       -----
RESID 802 (N):      -1.508       0.039       -----       0.174      -1.568       1.311
RESID 803 (R):       0.929      -0.330       -----      -0.167      -1.148       0.052
RESID 804 (L):       6.703      -0.564       -----       1.870       0.869       2.396
RESID 805 (G):       2.701       -----       -----      -0.839       -----       2.171
RESID 806 (V):      -5.122       0.251       -----      -1.637       1.940      -0.262
RESID 807 (V):      -1.010      -0.214       -----       0.890       1.422       0.130
RESID 808 (T):      -0.358       0.001       -----       1.495      -0.832       0.388
RESID 809 (F):       3.385      -0.861       -----       0.215       0.650       1.107
RESID 810 (Q):      -0.623      -0.615       -----       0.735      -0.303       0.674
RESID 811 (A):      -0.718      -0.091       -----       1.138       0.334      -0.013
RESID 812 (F):       0.856      -0.402       -----      -0.349       0.936       0.014
RESID 813 (I):      -0.683      -0.857       -----       0.630      -0.199       0.519
RESID 814 (D):       3.270      -0.200       -----       0.144      -0.443       0.294
RESID 815 (F):       0.303      -0.305       -----       0.510       0.015       0.117
RESID 816 (M):      -1.254      -0.334       -----      -1.242      -1.658       0.276
RESID 817 (S):       2.195      -0.214       -----       0.763      -0.267      -0.258
RESID 818 (R):      -0.665       0.027       -----       0.370       0.830      -0.478
RESID 819 (E):       2.055      -0.002       -----      -1.492       1.261       0.475
RESID 820 (T):       2.761       0.639       -----      -0.500       1.159       0.458
RESID 821 (A):       2.191      -0.129       -----       2.105      -1.270       0.817
RESID 822 (D):      -4.858      -0.160       -----      -1.263      -0.812      -0.332
RESID 823 (T):       0.212      -0.384       -----       1.097      -2.446      -0.421
RESID 824 (D):       1.974       0.074       -----      -1.310       0.617      -0.390
RESID 825 (T):       0.734       0.000       -----      -1.645       1.277      -0.492
RESID 826 (A):       0.389       0.110       -----       0.134       0.384       0.157
RESID 827 (D):      -0.492       0.144       -----      -1.292      -0.351       0.408
RESID 828 (Q):       2.194       0.012       -----      -0.542      -0.133       0.365
RESID 829 (V):       2.046      -0.312       -----       1.318      -0.161       0.795
RESID 830 (M):       1.091       1.159       -----       0.005       0.503      -0.473
RESID 831 (A):      -1.372       0.100       -----       0.068       0.437       0.154
RESID 832 (S):      -1.542       0.019       -----      -0.661      -0.207       0.043
RESID 833 (F):       1.750      -0.340       -----       0.432       0.489       0.054
RESID 834 (K):      -1.631      -0.045       -----       1.073       0.347       0.137
RESID 835 (I):      -1.651       0.026       -----      -1.268      -0.217       0.094
RESID 836 (L):       1.658       0.048       -----      -0.483       0.499      -0.492
RESID 837 (A):       1.018      -0.050       -----      -0.610       0.087       0.466
RESID 838 (G):       0.575       -----       -----       0.049       -----      -0.760
RESID 839 (D):      -2.307      -0.279       -----       0.092      -2.130       0.499
RESID 840 (K):      -4.056      -0.160       -----      -0.412       0.613       0.207
RESID 841 (N):      -0.590       0.008       -----      -0.400       0.128      -0.208
RESID 842 (Y):      -1.848       0.051       -----      -1.308       0.189      -0.716
RESID 843 (I):      -5.161       0.265       -----       0.601      -0.124      -0.622
RESID 844 (T):      -1.420       0.148       -----      -0.263       0.620       0.037
RESID 845 (M):      -0.921      -0.171       -----      -0.169       0.877      -0.069
RESID 846 (D):      -2.296      -0.178       -----       0.751      -0.117      -0.134
RESID 847 (E):       1.691      -0.261       -----       0.709      -0.393       0.253
RESID 848 (L):      -0.801      -0.236       -----       1.065       0.602       0.414
RESID 849 (R):      -1.711      -0.519       -----       1.016       0.447       0.223
RESID 850 (R):      -0.985      -0.155       -----       0.296       0.396       0.038
RESID 851 (E):      -2.391       0.032       -----      -1.035       1.056      -0.185
RESID 852 (L):      -2.999      -0.338       -----       1.209       1.304      -0.112
RESID 853 (P):       -----      -0.102       -----       1.028       0.808       -----
RESID 854 (P):       -----      -0.210       -----       4.396      -0.836       -----
RESID 855 (D):      -4.424      -0.076       -----      -0.403      -1.653       0.524
RESID 856 (Q):       2.743      -0.096       -----      -1.038       0.927      -1.033
RESID 857 (A):       0.481      -0.129       -----       0.242      -0.334       0.609
RESID 858 (E):      -4.756      -0.022       -----       0.061      -0.458       0.305
RESID 859 (Y):      -1.920      -0.116       -----      -0.082       0.544      -0.991
RESID 860 (C):      -1.379       0.797       -----      -0.073       0.339       0.252
RESID 861 (I):       0.520      -0.243       -----       0.326       0.826       0.693
RESID 862 (A):      -4.220       0.182       -----      -1.453      -0.284      -0.838
RESID 863 (R):       0.963      -0.122       -----      -1.161       0.638      -0.219
RESID 864 (M):      -1.026       0.110       -----      -1.237       3.321      -0.425
RESID 865 (A):      -1.526      -0.701       -----      -0.644       0.400       0.414
RESID 866 (P):       -----       0.015       -----      -0.247       1.536       -----
RESID 867 (Y):      -3.559       0.229       -----       1.192       1.784      -0.016
RESID 868 (T):       -----      -0.338       -----       0.234      -2.954       -----
RESID 869 (G):       -----       -----       -----      -0.340       -----       -----
RESID 870 (P):       -----      -0.097       -----       0.708      -0.322       -----
RESID 871 (D):       0.156      -0.004       -----      -1.503      -1.733       0.780
RESID 872 (S):      -2.233      -1.145       -----       1.675      -3.369       0.096
RESID 873 (V):      -0.548       0.056       -----       0.330      -0.009      -1.801
RESID 874 (P):       -----      -0.136       -----       0.391      -0.294       -----
RESID 875 (G):       4.978       -----       -----       1.099       -----       0.698
RESID 876 (A):      -3.683      -1.527       -----       2.858      -1.148       0.167
RESID 877 (L):       4.676      -0.350       -----       0.557      -2.213       0.295
RESID 878 (D):      -1.993       0.321       -----      -0.670      -0.661       1.143
RESID 879 (Y):       3.330       0.307       -----      -0.437      -0.463      -0.534
RESID 880 (M):       5.620      -0.206       -----      -0.778      -3.646      -0.083
RESID 881 (S):      -1.482      -0.122       -----       1.266       0.870      -0.504
RESID 882 (F):       2.052       0.364       -----       1.354       1.007      -0.241
RESID 883 (S):       2.693      -0.086       -----       0.239       0.852      -1.046
RESID 884 (T):     -10.502      -0.115       -----      -0.075       0.555      -0.329
RESID 885 (A):       2.554      -0.118       -----       0.350       0.177       0.562
RESID 886 (L):       3.362       0.167       -----       0.423       1.360       0.953
RESID 887 (Y):       2.575       0.053       -----      -0.070       0.342       0.129
RESID 888 (G):       2.997       -----       -----       0.638       -----      -0.045
RESID 889 (E):      -2.194      -0.595       -----       0.114      -0.479      -0.594
RESID 890 (S):      -2.335      -0.236       -----       0.425      -0.773      -0.220
RESID 891 (D):       0.318      -0.284       -----       0.254      -0.293      -0.067

DATA CS_STAT_INFO  N  RMS:   2.789 ppm Count: 139 Average Difference: -0.274 +/- 2.786 ppm
DATA CS_STAT_INFO  HA RMS:   0.363 ppm Count: 160 Average Difference:  0.044 +/- 0.361 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   1.214 ppm Count: 150 Average Difference: -0.241 +/- 1.194 ppm
DATA CS_STAT_INFO  CB RMS:   1.101 ppm Count: 140 Average Difference:  0.140 +/- 1.096 ppm
DATA CS_STAT_INFO  HN RMS:   0.616 ppm Count: 139 Average Difference: -0.152 +/- 0.600 ppm


############################################################################
For conformer 4:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 742 (S):       HA         4.525         4.525         4.300         0.225
RESID 742 (S):       CA        58.148        58.148        59.295        -1.147
RESID 742 (S):       CB        63.791        63.791        63.509         0.282
RESID 743 (I):        N       122.172       122.172       121.401         0.771
RESID 743 (I):       HA         4.362         4.362         4.019         0.343
RESID 743 (I):       CA        60.421        60.421        61.814        -1.393
RESID 743 (I):       CB        39.166        39.166        38.946         0.220
RESID 743 (I):        H         8.132         8.132         7.610         0.522
RESID 744 (S):        N       123.144       123.144       120.998         2.146
RESID 744 (S):       HA         4.449         4.449         4.593        -0.144
RESID 744 (S):       CA        57.463        57.463        56.857         0.606
RESID 744 (S):       CB        65.219        65.219        64.809         0.410
RESID 744 (S):        H         8.848         8.848         8.487         0.361
RESID 745 (Q):        N       121.619       121.619       123.398        -1.779
RESID 745 (Q):       HA         3.952         3.952         4.108        -0.156
RESID 745 (Q):       CA        58.768        58.768        59.176        -0.408
RESID 745 (Q):       CB        28.512        28.512        28.799        -0.287
RESID 745 (Q):        H         9.042         9.042         8.988         0.054
RESID 746 (E):        N       118.648       118.648       119.513        -0.865
RESID 746 (E):       HA         4.004         4.004         4.117        -0.113
RESID 746 (E):       CA        60.223        60.223        58.974         1.249
RESID 746 (E):       CB        28.854        28.854        29.448        -0.594
RESID 746 (E):        H         8.721         8.721         7.714         1.007
RESID 747 (Q):        N       120.463       120.463       120.209         0.254
RESID 747 (Q):       HA         3.766         3.766         4.415        -0.649
RESID 747 (Q):       CA        58.306        58.306        58.846        -0.540
RESID 747 (Q):       CB        28.948        28.948        28.224         0.724
RESID 747 (Q):        H         7.838         7.838         8.456        -0.618
RESID 748 (M):        N       119.252       119.252       115.680         3.572
RESID 748 (M):       HA         4.200         4.200         4.433        -0.233
RESID 748 (M):       CA        58.096        58.096        59.333        -1.237
RESID 748 (M):       CB        30.900        30.900        32.401        -1.501
RESID 748 (M):        H         8.473         8.473         8.221         0.252
RESID 749 (N):        N       117.740       117.740       118.671        -0.931
RESID 749 (N):       HA         4.474         4.474         4.473         0.001
RESID 749 (N):       CA        55.795        55.795        55.822        -0.027
RESID 749 (N):       CB        37.413        37.413        38.471        -1.058
RESID 749 (N):        H         8.334         8.334         7.606         0.728
RESID 750 (E):        N       122.848       122.848       118.982         3.866
RESID 750 (E):       HA         4.204         4.204         4.126         0.078
RESID 750 (E):       CA        59.341        59.341        58.420         0.921
RESID 750 (E):       CB        29.184        29.184        29.682        -0.498
RESID 750 (E):        H         7.838         7.838         8.370        -0.532
RESID 751 (F):        N       120.177       120.177       122.834        -2.657
RESID 751 (F):       HA         5.021         5.021         4.371         0.650
RESID 751 (F):       CA        58.353        58.353        59.568        -1.215
RESID 751 (F):       CB        37.797        37.797        39.450        -1.653
RESID 751 (F):        H         8.785         8.785         8.618         0.167
RESID 752 (R):        N       120.528       120.528       120.172         0.356
RESID 752 (R):       HA         4.160         4.160         3.958         0.202
RESID 752 (R):       CA        59.704        59.704        58.318         1.386
RESID 752 (R):       CB        29.968        29.968        28.644         1.324
RESID 752 (R):        H         9.016         9.016         8.093         0.923
RESID 753 (A):        N       121.112       121.112       122.401        -1.289
RESID 753 (A):       HA         4.245         4.245         4.443        -0.198
RESID 753 (A):       CA        55.331        55.331        54.450         0.881
RESID 753 (A):       CB        17.823        17.823        17.828        -0.005
RESID 753 (A):        H         8.100         8.100         7.783         0.317
RESID 754 (S):        N       115.589       115.589       115.042         0.547
RESID 754 (S):       HA         4.452         4.452         4.191         0.261
RESID 754 (S):       CA        62.675        62.675        59.702         2.973
RESID 754 (S):       CB        63.359        63.359        62.602         0.757
RESID 754 (S):        H         8.391         8.391         7.786         0.605
RESID 755 (F):        N       121.886       121.886       118.468         3.418
RESID 755 (F):       HA         3.642         3.642         3.948        -0.306
RESID 755 (F):       CA        61.964        61.964        58.612         3.352
RESID 755 (F):       CB        39.822        39.822        38.554         1.268
RESID 755 (F):        H         8.675         8.675         7.633         1.042
RESID 756 (N):        N       113.618       113.618       113.516         0.102
RESID 756 (N):       HA         4.427         4.427         4.385         0.042
RESID 756 (N):       CA        55.611        55.611        52.476         3.135
RESID 756 (N):       CB        37.838        37.838        38.910        -1.072
RESID 756 (N):        H         8.593         8.593         7.724         0.869
RESID 757 (H):        N       119.679       119.679       121.309        -1.630
RESID 757 (H):       HA         4.079         4.079         4.333        -0.254
RESID 757 (H):       CA        59.344        59.344        59.123         0.221
RESID 757 (H):       CB        29.889        29.889        30.694        -0.805
RESID 757 (H):        H         8.139         8.139         7.688         0.451
RESID 758 (F):        N       113.051       113.051       116.714        -3.663
RESID 758 (F):       HA         4.061         4.061         4.270        -0.209
RESID 758 (F):       CA        60.697        60.697        58.255         2.442
RESID 758 (F):       CB        38.735        38.735        40.518        -1.783
RESID 758 (F):        H         7.585         7.585         7.407         0.178
RESID 759 (D):        N       120.916       120.916       121.149        -0.233
RESID 759 (D):       HA         4.509         4.509         4.358         0.151
RESID 759 (D):       CA        52.171        52.171        54.761        -2.590
RESID 759 (D):       CB        38.009        38.009        40.446        -2.437
RESID 759 (D):        H         7.423         7.423         7.800        -0.377
RESID 760 (R):        N       124.819       124.819       126.265        -1.446
RESID 760 (R):       HA         3.768         3.768         4.001        -0.233
RESID 760 (R):       CA        58.275        58.275        58.845        -0.570
RESID 760 (R):       CB        30.249        30.249        30.579        -0.330
RESID 760 (R):        H         7.781         7.781         8.297        -0.516
RESID 761 (D):        N       113.673       113.673       113.701        -0.028
RESID 761 (D):       HA         4.483         4.483         4.803        -0.320
RESID 761 (D):       CA        51.977        51.977        53.101        -1.124
RESID 761 (D):       CB        39.522        39.522        41.131        -1.609
RESID 761 (D):        H         7.821         7.821         7.944        -0.123
RESID 762 (H):        N       114.966       114.966       116.521        -1.555
RESID 762 (H):       HA         4.161         4.161         4.210        -0.049
RESID 762 (H):       CA        56.618        56.618        57.254        -0.636
RESID 762 (H):       CB        26.380        26.380        27.636        -1.256
RESID 762 (H):        H         7.744         7.744         7.716         0.028
RESID 763 (S):        N       115.077       115.077       114.171         0.906
RESID 763 (S):       HA         4.336         4.336         4.369        -0.033
RESID 763 (S):       CA        59.860        59.860        59.875        -0.015
RESID 763 (S):       CB        65.192        65.192        63.985         1.207
RESID 763 (S):        H         8.726         8.726         8.784        -0.058
RESID 764 (G):        N       116.915       116.915       110.627         6.288
RESID 764 (G):       CA        45.449        45.449        45.650        -0.201
RESID 764 (G):        H        11.017        11.017         8.931         2.086
RESID 765 (T):        N       107.334       107.334       110.598        -3.264
RESID 765 (T):       HA         4.829         4.829         5.219        -0.390
RESID 765 (T):       CA        58.759        58.759        60.792        -2.033
RESID 765 (T):       CB        73.383        73.383        72.245         1.138
RESID 765 (T):        H         7.693         7.693         7.920        -0.227
RESID 766 (L):        N       124.664       124.664       124.934        -0.270
RESID 766 (L):       HA         4.900         4.900         4.621         0.279
RESID 766 (L):       CA        52.339        52.339        53.904        -1.565
RESID 766 (L):       CB        42.339        42.339        43.207        -0.868
RESID 766 (L):        H         9.209         9.209         8.677         0.532
RESID 767 (G):        N       112.024       112.024       111.833         0.191
RESID 767 (G):       CA        44.123        44.123        43.810         0.313
RESID 767 (G):        H         8.910         8.910         8.807         0.103
RESID 768 (P):       HA         4.318         4.318         4.531        -0.213
RESID 768 (P):       CA        67.127        67.127        66.217         0.910
RESID 768 (P):       CB        32.029        32.029        32.072        -0.043
RESID 769 (E):        N       115.246       115.246       117.112        -1.866
RESID 769 (E):       HA         3.971         3.971         4.082        -0.111
RESID 769 (E):       CA        59.621        59.621        58.662         0.959
RESID 769 (E):       CB        28.628        28.628        28.522         0.106
RESID 769 (E):        H         8.622         8.622         8.953        -0.331
RESID 770 (E):        N       121.127       121.127       117.861         3.266
RESID 770 (E):       HA         4.272         4.272         4.229         0.043
RESID 770 (E):       CA        58.497        58.497        58.346         0.151
RESID 770 (E):       CB        31.372        31.372        29.968         1.404
RESID 770 (E):        H         7.493         7.493         8.063        -0.570
RESID 771 (F):        N       117.688       117.688       122.098        -4.410
RESID 771 (F):       HA         4.355         4.355         4.280         0.075
RESID 771 (F):       CA        58.625        58.625        60.625        -2.000
RESID 771 (F):       CB        38.810        38.810        39.490        -0.680
RESID 771 (F):        H         9.110         9.110         8.935         0.175
RESID 772 (K):        N       119.789       119.789       118.434         1.355
RESID 772 (K):       HA         3.313         3.313         3.702        -0.389
RESID 772 (K):       CA        60.672        60.672        58.377         2.295
RESID 772 (K):       CB        31.979        31.979        30.867         1.112
RESID 772 (K):        H         8.594         8.594         8.034         0.560
RESID 773 (A):        N       118.461       118.461       120.465        -2.004
RESID 773 (A):       HA         3.881         3.881         3.988        -0.107
RESID 773 (A):       CA        55.013        55.013        53.783         1.230
RESID 773 (A):       CB        17.629        17.629        18.859        -1.230
RESID 773 (A):        H         7.231         7.231         7.508        -0.277
RESID 774 (C):        N       120.913       120.913       119.224         1.689
RESID 774 (C):       HA         2.435         2.435         3.298        -0.863
RESID 774 (C):       CA        61.174        61.174        61.516        -0.342
RESID 774 (C):       CB        26.215        26.215        26.339        -0.124
RESID 774 (C):        H         7.498         7.498         7.605        -0.107
RESID 775 (L):        N       119.201       119.201       118.365         0.836
RESID 775 (L):       HA         3.766         3.766         3.616         0.149
RESID 775 (L):       CA        57.932        57.932        56.133         1.799
RESID 775 (L):       CB        40.950        40.950        40.943         0.007
RESID 775 (L):        H         8.372         8.372         7.482         0.890
RESID 776 (I):        N       121.051       121.051       119.380         1.671
RESID 776 (I):       HA         4.090         4.090         2.613         1.477
RESID 776 (I):       CA        65.244        65.244        64.292         0.952
RESID 776 (I):       CB        37.991        37.991        37.092         0.899
RESID 776 (I):        H         8.358         8.358         6.711         1.647
RESID 777 (S):        N       119.109       119.109       113.928         5.181
RESID 777 (S):       HA         4.291         4.291         4.218         0.073
RESID 777 (S):       CA        61.725        61.725        60.431         1.294
RESID 777 (S):       CB        62.995        62.995        63.160        -0.166
RESID 777 (S):        H         7.822         7.822         7.353         0.469
RESID 778 (L):        N       121.208       121.208       117.247         3.961
RESID 778 (L):       HA         4.506         4.506         4.430         0.076
RESID 778 (L):       CA        54.999        54.999        53.973         1.026
RESID 778 (L):       CB        42.670        42.670        42.542         0.128
RESID 778 (L):        H         7.671         7.671         7.174         0.497
RESID 779 (G):        N       106.232       106.232       106.898        -0.666
RESID 779 (G):       CA        45.287        45.287        45.034         0.253
RESID 779 (G):        H         7.897         7.897         7.324         0.573
RESID 780 (Y):        N       120.772       120.772       119.239         1.533
RESID 780 (Y):       HA         4.142         4.142         4.661        -0.519
RESID 780 (Y):       CA        59.231        59.231        55.112         4.119
RESID 780 (Y):       CB        38.341        38.341        38.599        -0.258
RESID 780 (Y):        H         8.072         8.072         7.489         0.583
RESID 781 (D):        N       124.304       124.304       118.040         6.264
RESID 781 (D):       HA         4.665         4.665         4.638         0.027
RESID 781 (D):       CA        53.148        53.148        54.183        -1.035
RESID 781 (D):       CB        39.804        39.804        40.581        -0.777
RESID 781 (D):        H         8.862         8.862         9.059        -0.197
RESID 782 (I):        N       122.271       122.271       113.159         9.112
RESID 782 (I):       HA         4.341         4.341         4.326         0.015
RESID 782 (I):       CA        58.992        58.992        59.945        -0.953
RESID 782 (I):       CB        37.907        37.907        40.531        -2.624
RESID 782 (I):        H         7.344         7.344         6.944         0.400
RESID 783 (G):        N       112.322       112.322       106.757         5.565
RESID 783 (G):       CA        44.523        44.523        44.275         0.248
RESID 783 (G):        H         8.122         8.122         8.101         0.021
RESID 784 (N):        N       118.727       118.727       116.721         2.006
RESID 784 (N):       HA         4.882         4.882         4.290         0.592
RESID 784 (N):       CA        52.098        52.098        54.660        -2.562
RESID 784 (N):       CB        37.424        37.424        37.856        -0.432
RESID 784 (N):        H         8.452         8.452         8.997        -0.545
RESID 785 (D):        N       119.826       119.826       118.154         1.672
RESID 785 (D):       HA         4.778         4.778         5.098        -0.320
RESID 785 (D):       CA        52.164        52.164        50.538         1.626
RESID 785 (D):       CB        39.657        39.657        43.024        -3.367
RESID 785 (D):        H         8.145         8.145         7.690         0.455
RESID 786 (P):       HA         4.271         4.271         4.272        -0.001
RESID 786 (P):       CA        66.265        66.265        65.263         1.002
RESID 786 (P):       CB        32.011        32.011        32.207        -0.196
RESID 787 (Q):        N       118.097       118.097       117.579         0.518
RESID 787 (Q):       HA         4.141         4.141         4.371        -0.230
RESID 787 (Q):       CA        59.115        59.115        57.827         1.288
RESID 787 (Q):       CB        27.732        27.732        29.256        -1.524
RESID 787 (Q):        H         8.409         8.409         8.901        -0.492
RESID 788 (G):        N       113.421       113.421       108.501         4.920
RESID 788 (G):       CA        47.317        47.317        46.990         0.327
RESID 788 (G):        H         8.644         8.644         8.242         0.402
RESID 789 (E):        N       121.223       121.223       121.317        -0.094
RESID 789 (E):       HA         4.148         4.148         4.235        -0.087
RESID 789 (E):       CA        59.344        59.344        59.176         0.168
RESID 789 (E):       CB        29.435        29.435        29.362         0.073
RESID 789 (E):        H         8.514         8.514         8.515        -0.001
RESID 790 (A):        N       122.879       122.879       122.446         0.433
RESID 790 (A):       HA         4.247         4.247         4.259        -0.012
RESID 790 (A):       CA        54.907        54.907        55.080        -0.173
RESID 790 (A):       CB        17.780        17.780        18.533        -0.753
RESID 790 (A):        H         8.024         8.024         7.725         0.299
RESID 791 (E):        N       122.622       122.622       119.325         3.297
RESID 791 (E):       HA         4.687         4.687         4.114         0.573
RESID 791 (E):       CA        58.134        58.134        58.619        -0.485
RESID 791 (E):       CB        29.061        29.061        29.487        -0.426
RESID 791 (E):        H         8.280         8.280         7.841         0.439
RESID 792 (F):        N       119.949       119.949       121.212        -1.263
RESID 792 (F):       HA         4.038         4.038         4.212        -0.174
RESID 792 (F):       CA        61.812        61.812        61.403         0.409
RESID 792 (F):       CB        38.598        38.598        38.572         0.026
RESID 792 (F):        H         8.722         8.722         8.862        -0.140
RESID 793 (A):        N       119.652       119.652       121.307        -1.655
RESID 793 (A):       HA         3.854         3.854         3.373         0.481
RESID 793 (A):       CA        54.902        54.902        54.442         0.460
RESID 793 (A):       CB        17.628        17.628        17.949        -0.321
RESID 793 (A):        H         8.163         8.163         7.636         0.527
RESID 794 (R):        N       121.092       121.092       119.421         1.671
RESID 794 (R):       HA         3.910         3.910         4.001        -0.091
RESID 794 (R):       CA        59.471        59.471        59.103         0.368
RESID 794 (R):       CB        30.092        30.092        30.192        -0.100
RESID 794 (R):        H         8.034         8.034         7.659         0.375
RESID 795 (I):        N       121.394       121.394       120.450         0.944
RESID 795 (I):       HA         3.388         3.388         3.701        -0.313
RESID 795 (I):       CA        65.848        65.848        65.368         0.480
RESID 795 (I):       CB        38.209        38.209        38.308        -0.099
RESID 795 (I):        H         8.049         8.049         8.196        -0.147
RESID 796 (M):        N       119.012       119.012       118.443         0.569
RESID 796 (M):       HA         4.155         4.155         3.921         0.234
RESID 796 (M):       CA        56.470        56.470        58.390        -1.920
RESID 796 (M):       CB        29.892        29.892        31.660        -1.768
RESID 796 (M):        H         8.589         8.589         8.107         0.482
RESID 797 (S):        N       114.132       114.132       112.894         1.238
RESID 797 (S):       HA         4.097         4.097         4.238        -0.141
RESID 797 (S):       CA        61.231        61.231        60.148         1.083
RESID 797 (S):       CB        62.895        62.895        63.500        -0.605
RESID 797 (S):        H         7.732         7.732         7.523         0.209
RESID 798 (I):        N       120.873       120.873       116.724         4.149
RESID 798 (I):       HA         3.818         3.818         4.189        -0.371
RESID 798 (I):       CA        63.875        63.875        63.118         0.756
RESID 798 (I):       CB        38.863        38.863        38.731         0.132
RESID 798 (I):        H         7.352         7.352         7.779        -0.427
RESID 799 (V):        N       110.552       110.552       113.064        -2.512
RESID 799 (V):       HA         4.243         4.243         4.076         0.167
RESID 799 (V):       CA        62.616        62.616        60.732         1.884
RESID 799 (V):       CB        32.416        32.416        30.749         1.667
RESID 799 (V):        H         7.648         7.648         7.827        -0.179
RESID 800 (D):        N       119.435       119.435       120.141        -0.706
RESID 800 (D):       HA         5.225         5.225         5.098         0.127
RESID 800 (D):       CA        51.715        51.715        50.080         1.635
RESID 800 (D):       CB        41.086        41.086        41.450        -0.364
RESID 800 (D):        H         8.074         8.074         7.543         0.531
RESID 801 (P):       HA         4.331         4.331         4.371        -0.040
RESID 801 (P):       CA        64.819        64.819        64.042         0.777
RESID 801 (P):       CB        31.689        31.689        31.994        -0.305
RESID 802 (N):        N       115.164       115.164       116.243        -1.079
RESID 802 (N):       HA         4.760         4.760         4.712         0.048
RESID 802 (N):       CA        52.998        52.998        52.745         0.253
RESID 802 (N):       CB        37.952        37.952        39.696        -1.744
RESID 802 (N):        H         8.949         8.949         7.639         1.310
RESID 803 (R):        N       117.446       117.446       115.944         1.502
RESID 803 (R):       HA         3.830         3.830         4.244        -0.414
RESID 803 (R):       CA        56.888        56.888        56.812         0.076
RESID 803 (R):       CB        26.354        26.354        27.028        -0.674
RESID 803 (R):        H         7.958         7.958         7.882         0.076
RESID 804 (L):        N       123.307       123.307       116.631         6.676
RESID 804 (L):       HA         4.156         4.156         4.715        -0.559
RESID 804 (L):       CA        56.373        56.373        54.345         2.028
RESID 804 (L):       CB        42.930        42.930        41.753         1.177
RESID 804 (L):        H        10.591        10.591         8.166         2.425
RESID 805 (G):        N       110.516       110.516       107.598         2.918
RESID 805 (G):       CA        44.944        44.944        45.822        -0.878
RESID 805 (G):        H        11.001        11.001         8.389         2.612
RESID 806 (V):        N       109.840       109.840       114.976        -5.136
RESID 806 (V):       HA         4.571         4.571         4.319         0.252
RESID 806 (V):       CA        58.566        58.566        60.167        -1.601
RESID 806 (V):       CB        36.853        36.853        35.028         1.825
RESID 806 (V):        H         6.831         6.831         7.084        -0.253
RESID 807 (V):        N       122.184       122.184       123.128        -0.944
RESID 807 (V):       HA         4.167         4.167         4.367        -0.200
RESID 807 (V):       CA        61.644        61.644        61.443         0.201
RESID 807 (V):       CB        32.383        32.383        31.579         0.804
RESID 807 (V):        H         9.007         9.007         8.915         0.092
RESID 808 (T):        N       117.391       117.391       117.320         0.071
RESID 808 (T):       HA         4.593         4.593         4.701        -0.108
RESID 808 (T):       CA        60.615        60.615        58.814         1.801
RESID 808 (T):       CB        70.695        70.695        71.480        -0.785
RESID 808 (T):        H         7.925         7.925         7.614         0.311
RESID 809 (F):        N       122.236       122.236       118.446         3.790
RESID 809 (F):       HA         3.640         3.640         4.505        -0.865
RESID 809 (F):       CA        61.749        61.749        61.586         0.163
RESID 809 (F):       CB        38.177        38.177        37.561         0.616
RESID 809 (F):        H         9.349         9.349         8.320         1.029
RESID 810 (Q):        N       116.788       116.788       117.332        -0.544
RESID 810 (Q):       HA         3.598         3.598         4.219        -0.621
RESID 810 (Q):       CA        58.582        58.582        57.779         0.803
RESID 810 (Q):       CB        28.199        28.199        28.512        -0.313
RESID 810 (Q):        H         8.572         8.572         7.864         0.708
RESID 811 (A):        N       121.208       121.208       121.805        -0.597
RESID 811 (A):       HA         4.119         4.119         4.213        -0.094
RESID 811 (A):       CA        54.911        54.911        53.724         1.187
RESID 811 (A):       CB        19.265        19.265        19.004         0.261
RESID 811 (A):        H         7.667         7.667         7.684        -0.017
RESID 812 (F):        N       119.805       119.805       118.961         0.844
RESID 812 (F):       HA         3.980         3.980         4.386        -0.406
RESID 812 (F):       CA        61.740        61.740        62.088        -0.348
RESID 812 (F):       CB        39.670        39.670        38.749         0.921
RESID 812 (F):        H         8.400         8.400         8.398         0.002
RESID 813 (I):        N       118.098       118.098       118.844        -0.746
RESID 813 (I):       HA         3.146         3.146         3.991        -0.845
RESID 813 (I):       CA        63.299        63.299        62.511         0.788
RESID 813 (I):       CB        36.202        36.202        36.401        -0.199
RESID 813 (I):        H         8.364         8.364         7.852         0.512
RESID 814 (D):        N       123.528       123.528       120.301         3.227
RESID 814 (D):       HA         4.196         4.196         4.378        -0.182
RESID 814 (D):       CA        57.680        57.680        57.283         0.397
RESID 814 (D):       CB        40.236        40.236        40.770        -0.534
RESID 814 (D):        H         8.221         8.221         7.877         0.344
RESID 815 (F):        N       120.584       120.584       118.855         1.729
RESID 815 (F):       HA         4.129         4.129         4.469        -0.340
RESID 815 (F):       CA        61.084        61.084        60.440         0.644
RESID 815 (F):       CB        39.698        39.698        39.823        -0.125
RESID 815 (F):        H         7.887         7.887         7.826         0.061
RESID 816 (M):        N       116.960       116.960       120.890        -3.930
RESID 816 (M):       HA         3.782         3.782         4.074        -0.292
RESID 816 (M):       CA        55.662        55.662        56.853        -1.191
RESID 816 (M):       CB        30.033        30.033        31.255        -1.222
RESID 816 (M):        H         8.372         8.372         8.218         0.154
RESID 817 (S):        N       114.277       114.277       114.221         0.056
RESID 817 (S):       HA         4.194         4.194         4.340        -0.146
RESID 817 (S):       CA        60.521        60.521        60.182         0.339
RESID 817 (S):       CB        63.185        63.185        63.155         0.030
RESID 817 (S):        H         8.074         8.074         8.419        -0.345
RESID 818 (R):        N       121.493       121.493       119.985         1.508
RESID 818 (R):       HA         4.124         4.124         4.121         0.003
RESID 818 (R):       CA        57.684        57.684        56.878         0.806
RESID 818 (R):       CB        30.315        30.315        29.429         0.886
RESID 818 (R):        H         7.288         7.288         8.023        -0.735
RESID 819 (E):        N       119.737       119.737       117.807         1.930
RESID 819 (E):       HA         4.101         4.101         4.066         0.035
RESID 819 (E):       CA        57.066        57.066        58.873        -1.807
RESID 819 (E):       CB        30.491        30.491        28.858         1.633
RESID 819 (E):        H         8.045         8.045         7.619         0.426
RESID 820 (T):        N       112.128       112.128       109.226         2.902
RESID 820 (T):       HA         4.280         4.280         3.505         0.775
RESID 820 (T):       CA        62.055        62.055        62.431        -0.376
RESID 820 (T):       CB        69.828        69.828        68.621         1.207
RESID 820 (T):        H         7.760         7.760         7.401         0.359
RESID 821 (A):        N       126.098       126.098       123.709         2.389
RESID 821 (A):       HA         4.284         4.284         4.399        -0.115
RESID 821 (A):       CA        52.726        52.726        51.118         1.608
RESID 821 (A):       CB        19.304        19.304        21.012        -1.708
RESID 821 (A):        H         7.957         7.957         7.235         0.722
RESID 822 (D):        N       119.904       119.904       120.950        -1.046
RESID 822 (D):       HA         4.613         4.613         4.695        -0.082
RESID 822 (D):       CA        54.335        54.335        55.018        -0.683
RESID 822 (D):       CB        41.032        41.032        41.675        -0.643
RESID 822 (D):        H         8.352         8.352         8.396        -0.044
RESID 823 (T):        N       114.142       114.142       117.053        -2.911
RESID 823 (T):       HA         4.278         4.278         4.559        -0.281
RESID 823 (T):       CA        62.117        62.117        60.980         1.137
RESID 823 (T):       CB        69.584        69.584        71.313        -1.729
RESID 823 (T):        H         8.079         8.079         8.118        -0.039
RESID 824 (D):        N       123.261       123.261       121.332         1.929
RESID 824 (D):       HA         4.657         4.657         4.560         0.097
RESID 824 (D):       CA        54.786        54.786        56.775        -1.989
RESID 824 (D):       CB        41.085        41.085        41.361        -0.276
RESID 824 (D):        H         8.431         8.431         8.795        -0.364
RESID 825 (T):        N       114.932       114.932       113.660         1.272
RESID 825 (T):       HA         4.161         4.161         4.178        -0.017
RESID 825 (T):       CA        63.109        63.109        64.862        -1.753
RESID 825 (T):       CB        69.455        69.455        68.515         0.940
RESID 825 (T):        H         8.155         8.155         8.619        -0.464
RESID 826 (A):        N       124.961       124.961       124.410         0.551
RESID 826 (A):       HA         4.160         4.160         4.117         0.043
RESID 826 (A):       CA        54.392        54.392        54.426        -0.034
RESID 826 (A):       CB        18.610        18.610        18.375         0.235
RESID 826 (A):        H         8.379         8.379         7.447         0.932
RESID 827 (D):        N       117.765       117.765       118.180        -0.415
RESID 827 (D):       HA         4.425         4.425         4.307         0.118
RESID 827 (D):       CA        56.051        56.051        57.369        -1.318
RESID 827 (D):       CB        40.559        40.559        40.962        -0.403
RESID 827 (D):        H         8.250         8.250         7.851         0.399
RESID 828 (Q):        N       120.523       120.523       118.030         2.493
RESID 828 (Q):       HA         4.091         4.091         4.086         0.005
RESID 828 (Q):       CA        57.814        57.814        58.283        -0.469
RESID 828 (Q):       CB        28.549        28.549        28.758        -0.209
RESID 828 (Q):        H         8.076         8.076         7.678         0.398
RESID 829 (V):        N       120.970       120.970       118.119         2.851
RESID 829 (V):       HA         3.525         3.525         3.796        -0.271
RESID 829 (V):       CA        65.194        65.194        64.189         1.005
RESID 829 (V):       CB        31.541        31.541        31.899        -0.358
RESID 829 (V):        H         8.051         8.051         7.231         0.820
RESID 830 (M):        N       119.572       119.572       118.596         0.976
RESID 830 (M):       HA         4.006         4.006         3.326         0.680
RESID 830 (M):       CA        57.977        57.977        57.831         0.146
RESID 830 (M):       CB        31.995        31.995        31.832         0.163
RESID 830 (M):        H         8.110         8.110         8.476        -0.366
RESID 831 (A):        N       121.059       121.059       122.707        -1.648
RESID 831 (A):       HA         4.045         4.045         3.927         0.118
RESID 831 (A):       CA        54.501        54.501        54.530        -0.029
RESID 831 (A):       CB        18.067        18.067        17.623         0.444
RESID 831 (A):        H         7.836         7.836         7.781         0.055
RESID 832 (S):        N       114.256       114.256       115.468        -1.212
RESID 832 (S):       HA         4.141         4.141         4.081         0.060
RESID 832 (S):       CA        60.845        60.845        61.247        -0.402
RESID 832 (S):       CB        62.613        62.613        62.714        -0.101
RESID 832 (S):        H         7.714         7.714         7.659         0.055
RESID 833 (F):        N       121.847       121.847       121.346         0.501
RESID 833 (F):       HA         3.823         3.823         4.241        -0.418
RESID 833 (F):       CA        58.627        58.627        59.005        -0.378
RESID 833 (F):       CB        38.127        38.127        37.377         0.750
RESID 833 (F):        H         7.740         7.740         7.587         0.153
RESID 834 (K):        N       118.759       118.759       119.980        -1.221
RESID 834 (K):       HA         3.589         3.589         3.499         0.090
RESID 834 (K):       CA        59.384        59.384        58.140         1.244
RESID 834 (K):       CB        32.143        32.143        31.751         0.392
RESID 834 (K):        H         7.843         7.843         7.703         0.140
RESID 835 (I):        N       118.537       118.537       120.041        -1.504
RESID 835 (I):       HA         3.736         3.736         3.772        -0.036
RESID 835 (I):       CA        63.714        63.714        64.513        -0.799
RESID 835 (I):       CB        37.825        37.825        38.062        -0.237
RESID 835 (I):        H         7.315         7.315         7.398        -0.083
RESID 836 (L):        N       121.201       121.201       119.759         1.442
RESID 836 (L):       HA         3.955         3.955         3.868         0.087
RESID 836 (L):       CA        57.074        57.074        57.130        -0.056
RESID 836 (L):       CB        42.415        42.415        42.117         0.298
RESID 836 (L):        H         7.625         7.625         7.974        -0.349
RESID 837 (A):        N       119.184       119.184       118.753         0.431
RESID 837 (A):       HA         3.895         3.895         3.949        -0.054
RESID 837 (A):       CA        53.301        53.301        53.894        -0.593
RESID 837 (A):       CB        19.338        19.338        19.184         0.154
RESID 837 (A):        H         8.099         8.099         7.786         0.313
RESID 838 (G):        N       107.030       107.030       106.670         0.360
RESID 838 (G):       CA        46.918        46.918        46.724         0.194
RESID 838 (G):        H         7.676         7.676         8.191        -0.515
RESID 839 (D):        N       122.291       122.291       124.027        -1.736
RESID 839 (D):       HA         4.477         4.477         4.843        -0.366
RESID 839 (D):       CA        54.511        54.511        53.731         0.780
RESID 839 (D):       CB        40.181        40.181        42.484        -2.303
RESID 839 (D):        H         8.704         8.704         8.081         0.623
RESID 840 (K):        N       117.582       117.582       120.750        -3.168
RESID 840 (K):       HA         4.301         4.301         4.311        -0.010
RESID 840 (K):       CA        55.780        55.780        56.200        -0.420
RESID 840 (K):       CB        33.710        33.710        32.661         1.049
RESID 840 (K):        H         7.583         7.583         7.445         0.138
RESID 841 (N):        N       116.678       116.678       116.719        -0.041
RESID 841 (N):       HA         4.611         4.611         4.621        -0.010
RESID 841 (N):       CA        53.466        53.466        54.106        -0.640
RESID 841 (N):       CB        39.155        39.155        39.121         0.034
RESID 841 (N):        H         8.693         8.693         8.985        -0.292
RESID 842 (Y):        N       112.236       112.236       113.941        -1.705
RESID 842 (Y):       HA         4.986         4.986         4.795         0.191
RESID 842 (Y):       CA        54.918        54.918        56.271        -1.353
RESID 842 (Y):       CB        40.595        40.595        40.362         0.233
RESID 842 (Y):        H         6.637         6.637         7.267        -0.630
RESID 843 (I):        N       115.475       115.475       121.353        -5.878
RESID 843 (I):       HA         4.792         4.792         4.595         0.197
RESID 843 (I):       CA        58.957        58.957        58.459         0.498
RESID 843 (I):       CB        43.009        43.009        43.010        -0.001
RESID 843 (I):        H         8.630         8.630         9.286        -0.656
RESID 844 (T):        N       117.169       117.169       118.418        -1.249
RESID 844 (T):       HA         5.370         5.370         5.217         0.153
RESID 844 (T):       CA        60.177        60.177        60.245        -0.068
RESID 844 (T):       CB        71.088        71.088        70.607         0.481
RESID 844 (T):        H         9.330         9.330         9.373        -0.043
RESID 845 (M):        N       119.860       119.860       120.392        -0.532
RESID 845 (M):       HA         3.824         3.824         4.010        -0.186
RESID 845 (M):       CA        60.321        60.321        60.545        -0.224
RESID 845 (M):       CB        33.030        33.030        32.145         0.885
RESID 845 (M):        H         8.556         8.556         8.628        -0.072
RESID 846 (D):        N       116.363       116.363       118.257        -1.894
RESID 846 (D):       HA         4.280         4.280         4.406        -0.126
RESID 846 (D):       CA        57.404        57.404        56.694         0.710
RESID 846 (D):       CB        40.584        40.584        40.742        -0.158
RESID 846 (D):        H         8.377         8.377         8.664        -0.287
RESID 847 (E):        N       120.577       120.577       118.193         2.384
RESID 847 (E):       HA         3.854         3.854         4.157        -0.303
RESID 847 (E):       CA        59.657        59.657        58.834         0.823
RESID 847 (E):       CB        29.660        29.660        30.103        -0.443
RESID 847 (E):        H         7.855         7.855         7.576         0.279
RESID 848 (L):        N       118.714       118.714       119.932        -1.218
RESID 848 (L):       HA         3.822         3.822         4.026        -0.204
RESID 848 (L):       CA        58.725        58.725        57.748         0.977
RESID 848 (L):       CB        42.457        42.457        41.925         0.532
RESID 848 (L):        H         7.849         7.849         7.603         0.246
RESID 849 (R):        N       113.972       113.972       115.192        -1.220
RESID 849 (R):       HA         3.924         3.924         4.380        -0.456
RESID 849 (R):       CA        58.595        58.595        57.547         1.048
RESID 849 (R):       CB        30.100        30.100        29.582         0.518
RESID 849 (R):        H         8.053         8.053         7.979         0.074
RESID 850 (R):        N       118.178       118.178       118.930        -0.752
RESID 850 (R):       HA         4.193         4.193         4.361        -0.168
RESID 850 (R):       CA        58.245        58.245        57.640         0.605
RESID 850 (R):       CB        31.120        31.120        31.539        -0.419
RESID 850 (R):        H         7.743         7.743         7.640         0.103
RESID 851 (E):        N       115.518       115.518       118.706        -3.188
RESID 851 (E):       HA         4.350         4.350         4.267         0.083
RESID 851 (E):       CA        56.886        56.886        58.263        -1.377
RESID 851 (E):       CB        31.590        31.590        30.540         1.050
RESID 851 (E):        H         7.596         7.596         7.873        -0.277
RESID 852 (L):        N       119.148       119.148       122.061        -2.913
RESID 852 (L):       HA         4.894         4.894         5.022        -0.128
RESID 852 (L):       CA        52.174        52.174        51.031         1.143
RESID 852 (L):       CB        42.469        42.469        41.368         1.101
RESID 852 (L):        H         7.890         7.890         7.953        -0.063
RESID 853 (P):       HA         4.347         4.347         4.427        -0.080
RESID 853 (P):       CA        65.119        65.119        64.083         1.036
RESID 853 (P):       CB        31.631        31.631        30.807         0.824
RESID 854 (P):       HA         4.270         4.270         4.488        -0.218
RESID 854 (P):       CA        66.336        66.336        61.860         4.476
RESID 854 (P):       CB        32.256        32.256        33.133        -0.877
RESID 855 (D):        N       114.865       114.865       119.262        -4.397
RESID 855 (D):       HA         4.349         4.349         4.271         0.078
RESID 855 (D):       CA        56.913        56.913        57.203        -0.290
RESID 855 (D):       CB        39.244        39.244        40.908        -1.664
RESID 855 (D):        H         8.801         8.801         8.304         0.497
RESID 856 (Q):        N       121.465       121.465       118.712         2.753
RESID 856 (Q):       HA         4.199         4.199         4.307        -0.108
RESID 856 (Q):       CA        58.317        58.317        59.306        -0.989
RESID 856 (Q):       CB        29.247        29.247        28.316         0.931
RESID 856 (Q):        H         7.472         7.472         8.492        -1.020
RESID 857 (A):        N       122.805       122.805       122.322         0.483
RESID 857 (A):       HA         3.799         3.799         3.930        -0.131
RESID 857 (A):       CA        56.303        56.303        55.853         0.450
RESID 857 (A):       CB        17.944        17.944        18.275        -0.331
RESID 857 (A):        H         8.882         8.882         8.311         0.571
RESID 858 (E):        N       114.094       114.094       118.686        -4.592
RESID 858 (E):       HA         4.024         4.024         4.046        -0.022
RESID 858 (E):       CA        58.682        58.682        58.456         0.226
RESID 858 (E):       CB        28.639        28.639        29.219        -0.580
RESID 858 (E):        H         8.155         8.155         7.835         0.320
RESID 859 (Y):        N       120.665       120.665       122.514        -1.849
RESID 859 (Y):       HA         4.084         4.084         4.176        -0.092
RESID 859 (Y):       CA        61.006        61.006        61.288        -0.282
RESID 859 (Y):       CB        38.687        38.687        38.158         0.529
RESID 859 (Y):        H         7.708         7.708         8.512        -0.804
RESID 860 (C):        N       115.812       115.812       117.034        -1.222
RESID 860 (C):       HA         4.158         4.158         3.398         0.760
RESID 860 (C):       CA        64.254        64.254        64.054         0.200
RESID 860 (C):       CB        27.304        27.304        26.846         0.458
RESID 860 (C):        H         8.113         8.113         7.952         0.161
RESID 861 (I):        N       120.078       120.078       120.248        -0.170
RESID 861 (I):       HA         3.339         3.339         3.596        -0.257
RESID 861 (I):       CA        65.643        65.643        65.294         0.349
RESID 861 (I):       CB        38.714        38.714        37.680         1.034
RESID 861 (I):        H         8.453         8.453         7.798         0.655
RESID 862 (A):        N       116.691       116.691       122.229        -5.538
RESID 862 (A):       HA         4.209         4.209         4.026         0.183
RESID 862 (A):       CA        53.222        53.222        54.979        -1.757
RESID 862 (A):       CB        19.002        19.002        18.875         0.127
RESID 862 (A):        H         7.307         7.307         8.277        -0.970
RESID 863 (R):        N       117.226       117.226       116.058         1.168
RESID 863 (R):       HA         4.274         4.274         4.405        -0.131
RESID 863 (R):       CA        56.051        56.051        56.922        -0.871
RESID 863 (R):       CB        31.389        31.389        30.623         0.766
RESID 863 (R):        H         7.358         7.358         7.554        -0.196
RESID 864 (M):        N       117.583       117.583       118.321        -0.738
RESID 864 (M):       HA         4.561         4.561         4.461         0.100
RESID 864 (M):       CA        54.927        54.927        55.900        -0.973
RESID 864 (M):       CB        37.418        37.418        34.402         3.016
RESID 864 (M):        H         7.153         7.153         7.424        -0.271
RESID 865 (A):        N       124.643       124.643       125.694        -1.051
RESID 865 (A):       HA         3.866         3.866         4.621        -0.755
RESID 865 (A):       CA        49.194        49.194        49.778        -0.584
RESID 865 (A):       CB        18.647        18.647        18.258         0.389
RESID 865 (A):        H         8.557         8.557         8.140         0.417
RESID 866 (P):       HA         4.496         4.496         4.486         0.010
RESID 866 (P):       CA        62.724        62.724        62.929        -0.205
RESID 866 (P):       CB        31.980        31.980        30.353         1.627
RESID 867 (Y):        N       122.461       122.461       126.190        -3.729
RESID 867 (Y):       HA         4.728         4.728         4.478         0.250
RESID 867 (Y):       CA        57.096        57.096        56.529         0.567
RESID 867 (Y):       CB        39.175        39.175        38.385         0.790
RESID 867 (Y):        H         8.128         8.128         8.187        -0.059
RESID 868 (T):       HA         4.351         4.351         4.653        -0.302
RESID 868 (T):       CA        60.271        60.271        60.281        -0.010
RESID 868 (T):       CB        68.737        68.737        71.400        -2.663
RESID 869 (G):       CA        44.914        44.914        45.124        -0.210
RESID 870 (P):       HA         4.329         4.329         4.503        -0.174
RESID 870 (P):       CA        64.697        64.697        63.972         0.725
RESID 870 (P):       CB        31.579        31.579        32.206        -0.628
RESID 871 (D):        N       116.207       116.207       117.765        -1.558
RESID 871 (D):       HA         4.604         4.604         4.564         0.040
RESID 871 (D):       CA        52.749        52.749        54.656        -1.907
RESID 871 (D):       CB        38.929        38.929        40.377        -1.448
RESID 871 (D):        H         9.267         9.267         8.313         0.954
RESID 872 (S):        N       112.349       112.349       115.293        -2.944
RESID 872 (S):       HA         3.497         3.497         4.514        -1.017
RESID 872 (S):       CA        59.065        59.065        57.905         1.160
RESID 872 (S):       CB        63.125        63.125        64.955        -1.830
RESID 872 (S):        H         7.487         7.487         7.468         0.019
RESID 873 (V):        N       113.567       113.567       113.918        -0.351
RESID 873 (V):       HA         4.729         4.729         4.607         0.122
RESID 873 (V):       CA        58.044        58.044        57.898         0.145
RESID 873 (V):       CB        32.911        32.911        32.862         0.049
RESID 873 (V):        H         6.411         6.411         8.042        -1.631
RESID 874 (P):       HA         4.296         4.296         4.420        -0.124
RESID 874 (P):       CA        64.335        64.335        63.823         0.512
RESID 874 (P):       CB        31.515        31.515        31.799        -0.284
RESID 875 (G):        N       112.118       112.118       107.362         4.756
RESID 875 (G):       CA        45.557        45.557        44.512         1.045
RESID 875 (G):        H         8.800         8.800         8.068         0.732
RESID 876 (A):        N       120.262       120.262       124.330        -4.068
RESID 876 (A):       HA         4.100         4.100         5.527        -1.427
RESID 876 (A):       CA        53.073        53.073        50.234         2.839
RESID 876 (A):       CB        20.508        20.508        21.640        -1.133
RESID 876 (A):        H         7.762         7.762         7.740         0.022
RESID 877 (L):        N       125.695       125.695       120.961         4.734
RESID 877 (L):       HA         4.776         4.776         5.186        -0.410
RESID 877 (L):       CA        54.269        54.269        53.669         0.600
RESID 877 (L):       CB        44.799        44.799        46.983        -2.184
RESID 877 (L):        H         9.595         9.595         9.339         0.256
RESID 878 (D):        N       119.823       119.823       121.510        -1.687
RESID 878 (D):       HA         4.879         4.879         4.568         0.311
RESID 878 (D):       CA        51.997        51.997        52.524        -0.527
RESID 878 (D):       CB        40.781        40.781        41.612        -0.831
RESID 878 (D):        H         9.031         9.031         7.904         1.127
RESID 879 (Y):        N       126.556       126.556       122.976         3.580
RESID 879 (Y):       HA         4.591         4.591         4.327         0.264
RESID 879 (Y):       CA        59.396        59.396        59.721        -0.325
RESID 879 (Y):       CB        37.321        37.321        38.028        -0.707
RESID 879 (Y):        H         7.456         7.456         8.003        -0.547
RESID 880 (M):        N       119.958       119.958       114.254         5.704
RESID 880 (M):       HA         4.605         4.605         4.804        -0.199
RESID 880 (M):       CA        56.044        56.044        56.558        -0.514
RESID 880 (M):       CB        30.101        30.101        33.840        -3.739
RESID 880 (M):        H         7.627         7.627         7.665        -0.038
RESID 881 (S):        N       114.328       114.328       115.851        -1.523
RESID 881 (S):       HA         4.471         4.471         4.613        -0.142
RESID 881 (S):       CA        58.917        58.917        57.483         1.434
RESID 881 (S):       CB        64.447        64.447        63.641         0.806
RESID 881 (S):        H         7.726         7.726         8.110        -0.384
RESID 882 (F):        N       122.735       122.735       120.022         2.713
RESID 882 (F):       HA         4.722         4.722         4.397         0.325
RESID 882 (F):       CA        59.231        59.231        57.454         1.777
RESID 882 (F):       CB        40.285        40.285        39.153         1.132
RESID 882 (F):        H         7.385         7.385         7.620        -0.235
RESID 883 (S):        N       120.156       120.156       116.659         3.497
RESID 883 (S):       HA         4.299         4.299         4.421        -0.122
RESID 883 (S):       CA        57.280        57.280        57.177         0.103
RESID 883 (S):       CB        64.601        64.601        63.732         0.869
RESID 883 (S):        H         7.472         7.472         8.515        -1.043
RESID 884 (T):        N       110.683       110.683       120.943       -10.260
RESID 884 (T):       HA         3.966         3.966         4.166        -0.200
RESID 884 (T):       CA        63.465        63.465        63.479        -0.014
RESID 884 (T):       CB        68.899        68.899        68.372         0.527
RESID 884 (T):        H         7.996         7.996         8.350        -0.354
RESID 885 (A):        N       125.456       125.456       122.765         2.691
RESID 885 (A):       HA         4.236         4.236         4.399        -0.163
RESID 885 (A):       CA        52.030        52.030        51.662         0.368
RESID 885 (A):       CB        19.225        19.225        19.069         0.156
RESID 885 (A):        H         7.905         7.905         7.340         0.565
RESID 886 (L):        N       120.638       120.638       117.021         3.617
RESID 886 (L):       HA         4.002         4.002         3.830         0.172
RESID 886 (L):       CA        55.462        55.462        55.238         0.224
RESID 886 (L):       CB        42.265        42.265        41.001         1.264
RESID 886 (L):        H         8.079         8.079         7.168         0.911
RESID 887 (Y):        N       121.526       121.526       118.483         3.043
RESID 887 (Y):       HA         4.356         4.356         4.300         0.056
RESID 887 (Y):       CA        58.750        58.750        59.194        -0.444
RESID 887 (Y):       CB        38.569        38.569        37.951         0.618
RESID 887 (Y):        H         8.267         8.267         8.170         0.097
RESID 888 (G):        N       112.379       112.379       109.201         3.178
RESID 888 (G):       CA        45.090        45.090        44.592         0.498
RESID 888 (G):        H         8.087         8.087         7.693         0.394
RESID 889 (E):        N       120.255       120.255       120.311        -0.056
RESID 889 (E):       HA         4.256         4.256         4.902        -0.646
RESID 889 (E):       CA        56.445        56.445        55.782         0.663
RESID 889 (E):       CB        30.393        30.393        32.345        -1.952
RESID 889 (E):        H         7.994         7.994         8.988        -0.994
RESID 890 (S):        N       116.375       116.375       117.563        -1.188
RESID 890 (S):       HA         4.415         4.415         5.043        -0.628
RESID 890 (S):       CA        58.204        58.204        57.667         0.537
RESID 890 (S):       CB        63.913        63.913        66.253        -2.340
RESID 890 (S):        H         8.329         8.329         8.603        -0.274
RESID 891 (D):        N       123.017       123.017       120.059         2.958
RESID 891 (D):       HA         4.610         4.610         5.278        -0.668
RESID 891 (D):       CA        54.371        54.371        53.696         0.675
RESID 891 (D):       CB        41.013        41.013        43.042        -2.029
RESID 891 (D):        H         8.394         8.394         8.684        -0.290

                         N          HA           C          CA          CB           H
RESID 743 (I):       0.771       0.343       -----      -1.393       0.220       0.522
RESID 744 (S):       2.146      -0.144       -----       0.606       0.410       0.361
RESID 745 (Q):      -1.779      -0.156       -----      -0.408      -0.287       0.054
RESID 746 (E):      -0.865      -0.113       -----       1.249      -0.594       1.007
RESID 747 (Q):       0.254      -0.649       -----      -0.540       0.724      -0.618
RESID 748 (M):       3.572      -0.233       -----      -1.237      -1.501       0.252
RESID 749 (N):      -0.931       0.001       -----      -0.027      -1.058       0.728
RESID 750 (E):       3.866       0.078       -----       0.921      -0.498      -0.532
RESID 751 (F):      -2.657       0.650       -----      -1.215      -1.653       0.167
RESID 752 (R):       0.356       0.202       -----       1.386       1.324       0.923
RESID 753 (A):      -1.289      -0.198       -----       0.881      -0.005       0.317
RESID 754 (S):       0.547       0.261       -----       2.973       0.757       0.605
RESID 755 (F):       3.418      -0.306       -----       3.352       1.268       1.042
RESID 756 (N):       0.102       0.042       -----       3.135      -1.072       0.869
RESID 757 (H):      -1.630      -0.254       -----       0.221      -0.805       0.451
RESID 758 (F):      -3.663      -0.209       -----       2.442      -1.783       0.178
RESID 759 (D):      -0.233       0.151       -----      -2.590      -2.437      -0.377
RESID 760 (R):      -1.446      -0.233       -----      -0.570      -0.330      -0.516
RESID 761 (D):      -0.028      -0.320       -----      -1.124      -1.609      -0.123
RESID 762 (H):      -1.555      -0.049       -----      -0.636      -1.256       0.028
RESID 763 (S):       0.906      -0.033       -----      -0.015       1.207      -0.058
RESID 764 (G):       6.288       -----       -----      -0.201       -----       2.086
RESID 765 (T):      -3.264      -0.390       -----      -2.033       1.138      -0.227
RESID 766 (L):      -0.270       0.279       -----      -1.565      -0.868       0.532
RESID 767 (G):       0.191       -----       -----       0.313       -----       0.103
RESID 768 (P):       -----      -0.213       -----       0.910      -0.043       -----
RESID 769 (E):      -1.866      -0.111       -----       0.959       0.106      -0.331
RESID 770 (E):       3.266       0.043       -----       0.151       1.404      -0.570
RESID 771 (F):      -4.410       0.075       -----      -2.000      -0.680       0.175
RESID 772 (K):       1.355      -0.389       -----       2.295       1.112       0.560
RESID 773 (A):      -2.004      -0.107       -----       1.230      -1.230      -0.277
RESID 774 (C):       1.689      -0.863       -----      -0.342      -0.124      -0.107
RESID 775 (L):       0.836       0.149       -----       1.799       0.007       0.890
RESID 776 (I):       1.671       1.477       -----       0.952       0.899       1.647
RESID 777 (S):       5.181       0.073       -----       1.294      -0.166       0.469
RESID 778 (L):       3.961       0.076       -----       1.026       0.128       0.497
RESID 779 (G):      -0.666       -----       -----       0.253       -----       0.573
RESID 780 (Y):       1.533      -0.519       -----       4.119      -0.258       0.583
RESID 781 (D):       6.264       0.027       -----      -1.035      -0.777      -0.197
RESID 782 (I):       9.112       0.015       -----      -0.953      -2.624       0.400
RESID 783 (G):       5.565       -----       -----       0.248       -----       0.021
RESID 784 (N):       2.006       0.592       -----      -2.562      -0.432      -0.545
RESID 785 (D):       1.672      -0.320       -----       1.626      -3.367       0.455
RESID 786 (P):       -----      -0.001       -----       1.002      -0.196       -----
RESID 787 (Q):       0.518      -0.230       -----       1.288      -1.524      -0.492
RESID 788 (G):       4.920       -----       -----       0.327       -----       0.402
RESID 789 (E):      -0.094      -0.087       -----       0.168       0.073      -0.001
RESID 790 (A):       0.433      -0.012       -----      -0.173      -0.753       0.299
RESID 791 (E):       3.297       0.573       -----      -0.485      -0.426       0.439
RESID 792 (F):      -1.263      -0.174       -----       0.409       0.026      -0.140
RESID 793 (A):      -1.655       0.481       -----       0.460      -0.321       0.527
RESID 794 (R):       1.671      -0.091       -----       0.368      -0.100       0.375
RESID 795 (I):       0.944      -0.313       -----       0.480      -0.099      -0.147
RESID 796 (M):       0.569       0.234       -----      -1.920      -1.768       0.482
RESID 797 (S):       1.238      -0.141       -----       1.083      -0.605       0.209
RESID 798 (I):       4.149      -0.371       -----       0.756       0.132      -0.427
RESID 799 (V):      -2.512       0.167       -----       1.884       1.667      -0.179
RESID 800 (D):      -0.706       0.127       -----       1.635      -0.364       0.531
RESID 801 (P):       -----      -0.040       -----       0.777      -0.305       -----
RESID 802 (N):      -1.079       0.048       -----       0.253      -1.744       1.310
RESID 803 (R):       1.502      -0.414       -----       0.076      -0.674       0.076
RESID 804 (L):       6.676      -0.559       -----       2.028       1.177       2.425
RESID 805 (G):       2.918       -----       -----      -0.878       -----       2.612
RESID 806 (V):      -5.136       0.252       -----      -1.601       1.825      -0.253
RESID 807 (V):      -0.944      -0.200       -----       0.201       0.804       0.092
RESID 808 (T):       0.071      -0.108       -----       1.801      -0.785       0.311
RESID 809 (F):       3.790      -0.865       -----       0.163       0.616       1.029
RESID 810 (Q):      -0.544      -0.621       -----       0.803      -0.313       0.708
RESID 811 (A):      -0.597      -0.094       -----       1.187       0.261      -0.017
RESID 812 (F):       0.844      -0.406       -----      -0.348       0.921       0.002
RESID 813 (I):      -0.746      -0.845       -----       0.788      -0.199       0.512
RESID 814 (D):       3.227      -0.182       -----       0.397      -0.534       0.344
RESID 815 (F):       1.729      -0.340       -----       0.644      -0.125       0.061
RESID 816 (M):      -3.930      -0.292       -----      -1.191      -1.222       0.154
RESID 817 (S):       0.056      -0.146       -----       0.339       0.030      -0.345
RESID 818 (R):       1.508       0.003       -----       0.806       0.886      -0.735
RESID 819 (E):       1.930       0.035       -----      -1.807       1.633       0.426
RESID 820 (T):       2.902       0.775       -----      -0.376       1.207       0.359
RESID 821 (A):       2.389      -0.115       -----       1.608      -1.708       0.722
RESID 822 (D):      -1.046      -0.082       -----      -0.683      -0.643      -0.044
RESID 823 (T):      -2.911      -0.281       -----       1.137      -1.729      -0.039
RESID 824 (D):       1.929       0.097       -----      -1.989      -0.276      -0.364
RESID 825 (T):       1.272      -0.017       -----      -1.753       0.940      -0.464
RESID 826 (A):       0.551       0.043       -----      -0.034       0.235       0.932
RESID 827 (D):      -0.415       0.118       -----      -1.318      -0.403       0.399
RESID 828 (Q):       2.493       0.005       -----      -0.469      -0.209       0.398
RESID 829 (V):       2.851      -0.271       -----       1.005      -0.358       0.820
RESID 830 (M):       0.976       0.680       -----       0.146       0.163      -0.366
RESID 831 (A):      -1.648       0.118       -----      -0.029       0.444       0.055
RESID 832 (S):      -1.212       0.060       -----      -0.402      -0.101       0.055
RESID 833 (F):       0.501      -0.418       -----      -0.378       0.750       0.153
RESID 834 (K):      -1.221       0.090       -----       1.244       0.392       0.140
RESID 835 (I):      -1.504      -0.036       -----      -0.799      -0.237      -0.083
RESID 836 (L):       1.442       0.087       -----      -0.056       0.298      -0.349
RESID 837 (A):       0.431      -0.054       -----      -0.593       0.154       0.313
RESID 838 (G):       0.360       -----       -----       0.194       -----      -0.515
RESID 839 (D):      -1.736      -0.366       -----       0.780      -2.303       0.623
RESID 840 (K):      -3.168      -0.010       -----      -0.420       1.049       0.138
RESID 841 (N):      -0.041      -0.010       -----      -0.640       0.034      -0.292
RESID 842 (Y):      -1.705       0.191       -----      -1.353       0.233      -0.630
RESID 843 (I):      -5.878       0.197       -----       0.498      -0.001      -0.656
RESID 844 (T):      -1.249       0.153       -----      -0.068       0.481      -0.043
RESID 845 (M):      -0.532      -0.186       -----      -0.224       0.885      -0.072
RESID 846 (D):      -1.894      -0.126       -----       0.710      -0.158      -0.287
RESID 847 (E):       2.384      -0.303       -----       0.823      -0.443       0.279
RESID 848 (L):      -1.218      -0.204       -----       0.977       0.532       0.246
RESID 849 (R):      -1.220      -0.456       -----       1.048       0.518       0.074
RESID 850 (R):      -0.752      -0.168       -----       0.605      -0.419       0.103
RESID 851 (E):      -3.188       0.083       -----      -1.377       1.050      -0.277
RESID 852 (L):      -2.913      -0.128       -----       1.143       1.101      -0.063
RESID 853 (P):       -----      -0.080       -----       1.036       0.824       -----
RESID 854 (P):       -----      -0.218       -----       4.476      -0.877       -----
RESID 855 (D):      -4.397       0.078       -----      -0.290      -1.664       0.497
RESID 856 (Q):       2.753      -0.108       -----      -0.989       0.931      -1.020
RESID 857 (A):       0.483      -0.131       -----       0.450      -0.331       0.571
RESID 858 (E):      -4.592      -0.022       -----       0.226      -0.580       0.320
RESID 859 (Y):      -1.849      -0.092       -----      -0.282       0.529      -0.804
RESID 860 (C):      -1.222       0.760       -----       0.200       0.458       0.161
RESID 861 (I):      -0.170      -0.257       -----       0.349       1.034       0.655
RESID 862 (A):      -5.538       0.183       -----      -1.757       0.127      -0.970
RESID 863 (R):       1.168      -0.131       -----      -0.871       0.766      -0.196
RESID 864 (M):      -0.738       0.100       -----      -0.973       3.016      -0.271
RESID 865 (A):      -1.051      -0.755       -----      -0.584       0.389       0.417
RESID 866 (P):       -----       0.010       -----      -0.205       1.627       -----
RESID 867 (Y):      -3.729       0.250       -----       0.567       0.790      -0.059
RESID 868 (T):       -----      -0.302       -----      -0.010      -2.663       -----
RESID 869 (G):       -----       -----       -----      -0.210       -----       -----
RESID 870 (P):       -----      -0.174       -----       0.725      -0.628       -----
RESID 871 (D):      -1.558       0.040       -----      -1.907      -1.448       0.954
RESID 872 (S):      -2.944      -1.017       -----       1.160      -1.830       0.019
RESID 873 (V):      -0.351       0.122       -----       0.145       0.049      -1.631
RESID 874 (P):       -----      -0.124       -----       0.512      -0.284       -----
RESID 875 (G):       4.756       -----       -----       1.045       -----       0.732
RESID 876 (A):      -4.068      -1.427       -----       2.839      -1.133       0.022
RESID 877 (L):       4.734      -0.410       -----       0.600      -2.184       0.256
RESID 878 (D):      -1.687       0.311       -----      -0.527      -0.831       1.127
RESID 879 (Y):       3.580       0.264       -----      -0.325      -0.707      -0.547
RESID 880 (M):       5.704      -0.199       -----      -0.514      -3.739      -0.038
RESID 881 (S):      -1.523      -0.142       -----       1.434       0.806      -0.384
RESID 882 (F):       2.713       0.325       -----       1.777       1.132      -0.235
RESID 883 (S):       3.497      -0.122       -----       0.103       0.869      -1.043
RESID 884 (T):     -10.260      -0.200       -----      -0.014       0.527      -0.354
RESID 885 (A):       2.691      -0.163       -----       0.368       0.156       0.565
RESID 886 (L):       3.617       0.172       -----       0.224       1.264       0.911
RESID 887 (Y):       3.043       0.056       -----      -0.444       0.618       0.097
RESID 888 (G):       3.178       -----       -----       0.498       -----       0.394
RESID 889 (E):      -0.056      -0.646       -----       0.663      -1.952      -0.994
RESID 890 (S):      -1.188      -0.628       -----       0.537      -2.340      -0.274
RESID 891 (D):       2.958      -0.668       -----       0.675      -2.029      -0.290

DATA CS_STAT_INFO  N  RMS:   2.843 ppm Count: 139 Average Difference: -0.315 +/- 2.836 ppm
DATA CS_STAT_INFO  HA RMS:   0.362 ppm Count: 160 Average Difference:  0.051 +/- 0.360 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   1.227 ppm Count: 150 Average Difference: -0.228 +/- 1.210 ppm
DATA CS_STAT_INFO  CB RMS:   1.118 ppm Count: 140 Average Difference:  0.174 +/- 1.109 ppm
DATA CS_STAT_INFO  HN RMS:   0.632 ppm Count: 139 Average Difference: -0.162 +/- 0.614 ppm


############################################################################
For conformer 5:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 742 (S):       HA         4.525         4.525         4.096         0.429
RESID 742 (S):       CA        58.148        58.148        59.419        -1.271
RESID 742 (S):       CB        63.791        63.791        62.669         1.122
RESID 743 (I):        N       122.172       122.172       121.734         0.438
RESID 743 (I):       HA         4.362         4.362         4.004         0.358
RESID 743 (I):       CA        60.421        60.421        62.307        -1.887
RESID 743 (I):       CB        39.166        39.166        38.338         0.828
RESID 743 (I):        H         8.132         8.132         8.603        -0.471
RESID 744 (S):        N       123.144       123.144       121.270         1.874
RESID 744 (S):       HA         4.449         4.449         4.545        -0.096
RESID 744 (S):       CA        57.463        57.463        56.974         0.489
RESID 744 (S):       CB        65.219        65.219        64.860         0.359
RESID 744 (S):        H         8.848         8.848         8.456         0.392
RESID 745 (Q):        N       121.619       121.619       124.097        -2.478
RESID 745 (Q):       HA         3.952         3.952         4.109        -0.157
RESID 745 (Q):       CA        58.768        58.768        59.137        -0.369
RESID 745 (Q):       CB        28.512        28.512        28.712        -0.200
RESID 745 (Q):        H         9.042         9.042         9.005         0.037
RESID 746 (E):        N       118.648       118.648       119.460        -0.812
RESID 746 (E):       HA         4.004         4.004         4.164        -0.160
RESID 746 (E):       CA        60.223        60.223        58.917         1.306
RESID 746 (E):       CB        28.854        28.854        29.508        -0.654
RESID 746 (E):        H         8.721         8.721         7.858         0.863
RESID 747 (Q):        N       120.463       120.463       119.963         0.500
RESID 747 (Q):       HA         3.766         3.766         4.137        -0.371
RESID 747 (Q):       CA        58.306        58.306        59.070        -0.764
RESID 747 (Q):       CB        28.948        28.948        28.184         0.764
RESID 747 (Q):        H         7.838         7.838         8.454        -0.616
RESID 748 (M):        N       119.252       119.252       115.912         3.340
RESID 748 (M):       HA         4.200         4.200         4.432        -0.232
RESID 748 (M):       CA        58.096        58.096        59.230        -1.134
RESID 748 (M):       CB        30.900        30.900        32.224        -1.324
RESID 748 (M):        H         8.473         8.473         8.282         0.191
RESID 749 (N):        N       117.740       117.740       118.965        -1.225
RESID 749 (N):       HA         4.474         4.474         4.486        -0.012
RESID 749 (N):       CA        55.795        55.795        55.947        -0.152
RESID 749 (N):       CB        37.413        37.413        38.644        -1.231
RESID 749 (N):        H         8.334         8.334         7.801         0.533
RESID 750 (E):        N       122.848       122.848       118.920         3.928
RESID 750 (E):       HA         4.204         4.204         4.143         0.061
RESID 750 (E):       CA        59.341        59.341        58.339         1.002
RESID 750 (E):       CB        29.184        29.184        29.719        -0.535
RESID 750 (E):        H         7.838         7.838         8.305        -0.467
RESID 751 (F):        N       120.177       120.177       122.867        -2.690
RESID 751 (F):       HA         5.021         5.021         4.387         0.634
RESID 751 (F):       CA        58.353        58.353        59.477        -1.124
RESID 751 (F):       CB        37.797        37.797        39.479        -1.682
RESID 751 (F):        H         8.785         8.785         8.702         0.083
RESID 752 (R):        N       120.528       120.528       120.340         0.188
RESID 752 (R):       HA         4.160         4.160         3.961         0.199
RESID 752 (R):       CA        59.704        59.704        58.288         1.416
RESID 752 (R):       CB        29.968        29.968        28.635         1.333
RESID 752 (R):        H         9.016         9.016         8.108         0.908
RESID 753 (A):        N       121.112       121.112       122.387        -1.275
RESID 753 (A):       HA         4.245         4.245         4.452        -0.207
RESID 753 (A):       CA        55.331        55.331        54.453         0.878
RESID 753 (A):       CB        17.823        17.823        17.846        -0.023
RESID 753 (A):        H         8.100         8.100         7.884         0.216
RESID 754 (S):        N       115.589       115.589       115.039         0.550
RESID 754 (S):       HA         4.452         4.452         4.247         0.205
RESID 754 (S):       CA        62.675        62.675        59.752         2.923
RESID 754 (S):       CB        63.359        63.359        62.629         0.730
RESID 754 (S):        H         8.391         8.391         7.786         0.605
RESID 755 (F):        N       121.886       121.886       118.625         3.261
RESID 755 (F):       HA         3.642         3.642         3.951        -0.309
RESID 755 (F):       CA        61.964        61.964        58.770         3.193
RESID 755 (F):       CB        39.822        39.822        38.491         1.331
RESID 755 (F):        H         8.675         8.675         7.640         1.035
RESID 756 (N):        N       113.618       113.618       112.994         0.624
RESID 756 (N):       HA         4.427         4.427         4.199         0.228
RESID 756 (N):       CA        55.611        55.611        52.162         3.449
RESID 756 (N):       CB        37.838        37.838        38.990        -1.152
RESID 756 (N):        H         8.593         8.593         7.710         0.883
RESID 757 (H):        N       119.679       119.679       121.269        -1.590
RESID 757 (H):       HA         4.079         4.079         4.281        -0.202
RESID 757 (H):       CA        59.344        59.344        58.399         0.945
RESID 757 (H):       CB        29.889        29.889        30.192        -0.303
RESID 757 (H):        H         8.139         8.139         7.663         0.476
RESID 758 (F):        N       113.051       113.051       116.598        -3.547
RESID 758 (F):       HA         4.061         4.061         4.384        -0.323
RESID 758 (F):       CA        60.697        60.697        58.271         2.426
RESID 758 (F):       CB        38.735        38.735        40.445        -1.710
RESID 758 (F):        H         7.585         7.585         7.492         0.093
RESID 759 (D):        N       120.916       120.916       121.184        -0.268
RESID 759 (D):       HA         4.509         4.509         4.455         0.054
RESID 759 (D):       CA        52.171        52.171        54.954        -2.783
RESID 759 (D):       CB        38.009        38.009        40.514        -2.505
RESID 759 (D):        H         7.423         7.423         7.898        -0.475
RESID 760 (R):        N       124.819       124.819       127.552        -2.733
RESID 760 (R):       HA         3.768         3.768         4.050        -0.282
RESID 760 (R):       CA        58.275        58.275        58.770        -0.495
RESID 760 (R):       CB        30.249        30.249        30.671        -0.422
RESID 760 (R):        H         7.781         7.781         8.320        -0.539
RESID 761 (D):        N       113.673       113.673       112.784         0.889
RESID 761 (D):       HA         4.483         4.483         4.716        -0.233
RESID 761 (D):       CA        51.977        51.977        53.284        -1.307
RESID 761 (D):       CB        39.522        39.522        41.193        -1.671
RESID 761 (D):        H         7.821         7.821         7.991        -0.170
RESID 762 (H):        N       114.966       114.966       116.913        -1.947
RESID 762 (H):       HA         4.161         4.161         4.190        -0.029
RESID 762 (H):       CA        56.618        56.618        56.731        -0.113
RESID 762 (H):       CB        26.380        26.380        28.636        -2.256
RESID 762 (H):        H         7.744         7.744         7.969        -0.225
RESID 763 (S):        N       115.077       115.077       113.402         1.675
RESID 763 (S):       HA         4.336         4.336         4.355        -0.019
RESID 763 (S):       CA        59.860        59.860        59.200         0.660
RESID 763 (S):       CB        65.192        65.192        64.321         0.871
RESID 763 (S):        H         8.726         8.726         7.979         0.747
RESID 764 (G):        N       116.915       116.915       110.301         6.614
RESID 764 (G):       CA        45.449        45.449        45.658        -0.209
RESID 764 (G):        H        11.017        11.017         8.693         2.324
RESID 765 (T):        N       107.334       107.334       110.704        -3.370
RESID 765 (T):       HA         4.829         4.829         5.208        -0.379
RESID 765 (T):       CA        58.759        58.759        60.801        -2.042
RESID 765 (T):       CB        73.383        73.383        71.945         1.438
RESID 765 (T):        H         7.693         7.693         8.056        -0.363
RESID 766 (L):        N       124.664       124.664       124.700        -0.036
RESID 766 (L):       HA         4.900         4.900         4.834         0.066
RESID 766 (L):       CA        52.339        52.339        53.730        -1.391
RESID 766 (L):       CB        42.339        42.339        43.097        -0.758
RESID 766 (L):        H         9.209         9.209         8.726         0.483
RESID 767 (G):        N       112.024       112.024       112.001         0.023
RESID 767 (G):       CA        44.123        44.123        43.897         0.226
RESID 767 (G):        H         8.910         8.910         9.113        -0.203
RESID 768 (P):       HA         4.318         4.318         4.556        -0.238
RESID 768 (P):       CA        67.127        67.127        66.098         1.029
RESID 768 (P):       CB        32.029        32.029        32.122        -0.093
RESID 769 (E):        N       115.246       115.246       117.158        -1.912
RESID 769 (E):       HA         3.971         3.971         4.073        -0.102
RESID 769 (E):       CA        59.621        59.621        58.794         0.827
RESID 769 (E):       CB        28.628        28.628        29.010        -0.382
RESID 769 (E):        H         8.622         8.622         8.978        -0.356
RESID 770 (E):        N       121.127       121.127       118.266         2.861
RESID 770 (E):       HA         4.272         4.272         4.256         0.016
RESID 770 (E):       CA        58.497        58.497        58.324         0.173
RESID 770 (E):       CB        31.372        31.372        29.924         1.448
RESID 770 (E):        H         7.493         7.493         8.017        -0.524
RESID 771 (F):        N       117.688       117.688       122.145        -4.457
RESID 771 (F):       HA         4.355         4.355         4.264         0.091
RESID 771 (F):       CA        58.625        58.625        60.718        -2.093
RESID 771 (F):       CB        38.810        38.810        39.453        -0.643
RESID 771 (F):        H         9.110         9.110         8.937         0.173
RESID 772 (K):        N       119.789       119.789       118.541         1.248
RESID 772 (K):       HA         3.313         3.313         3.664        -0.351
RESID 772 (K):       CA        60.672        60.672        58.269         2.403
RESID 772 (K):       CB        31.979        31.979        30.829         1.150
RESID 772 (K):        H         8.594         8.594         8.011         0.583
RESID 773 (A):        N       118.461       118.461       120.655        -2.194
RESID 773 (A):       HA         3.881         3.881         4.020        -0.139
RESID 773 (A):       CA        55.013        55.013        53.731         1.282
RESID 773 (A):       CB        17.629        17.629        18.860        -1.231
RESID 773 (A):        H         7.231         7.231         7.444        -0.213
RESID 774 (C):        N       120.913       120.913       119.154         1.759
RESID 774 (C):       HA         2.435         2.435         3.010        -0.575
RESID 774 (C):       CA        61.174        61.174        61.825        -0.651
RESID 774 (C):       CB        26.215        26.215        26.990        -0.775
RESID 774 (C):        H         7.498         7.498         7.826        -0.328
RESID 775 (L):        N       119.201       119.201       118.699         0.502
RESID 775 (L):       HA         3.766         3.766         3.525         0.241
RESID 775 (L):       CA        57.932        57.932        56.313         1.619
RESID 775 (L):       CB        40.950        40.950        41.046        -0.096
RESID 775 (L):        H         8.372         8.372         7.639         0.733
RESID 776 (I):        N       121.051       121.051       117.897         3.154
RESID 776 (I):       HA         4.090         4.090         2.490         1.600
RESID 776 (I):       CA        65.244        65.244        64.213         1.031
RESID 776 (I):       CB        37.991        37.991        37.174         0.817
RESID 776 (I):        H         8.358         8.358         6.675         1.683
RESID 777 (S):        N       119.109       119.109       114.453         4.656
RESID 777 (S):       HA         4.291         4.291         4.188         0.103
RESID 777 (S):       CA        61.725        61.725        60.209         1.516
RESID 777 (S):       CB        62.995        62.995        62.742         0.253
RESID 777 (S):        H         7.822         7.822         7.334         0.488
RESID 778 (L):        N       121.208       121.208       117.493         3.715
RESID 778 (L):       HA         4.506         4.506         4.455         0.051
RESID 778 (L):       CA        54.999        54.999        53.800         1.198
RESID 778 (L):       CB        42.670        42.670        42.492         0.178
RESID 778 (L):        H         7.671         7.671         7.194         0.477
RESID 779 (G):        N       106.232       106.232       106.870        -0.638
RESID 779 (G):       CA        45.287        45.287        45.214         0.073
RESID 779 (G):        H         7.897         7.897         7.188         0.709
RESID 780 (Y):        N       120.772       120.772       117.381         3.391
RESID 780 (Y):       HA         4.142         4.142         4.575        -0.433
RESID 780 (Y):       CA        59.231        59.231        55.403         3.828
RESID 780 (Y):       CB        38.341        38.341        38.528        -0.187
RESID 780 (Y):        H         8.072         8.072         7.341         0.731
RESID 781 (D):        N       124.304       124.304       117.631         6.673
RESID 781 (D):       HA         4.665         4.665         4.663         0.002
RESID 781 (D):       CA        53.148        53.148        54.164        -1.016
RESID 781 (D):       CB        39.804        39.804        40.718        -0.914
RESID 781 (D):        H         8.862         8.862         9.094        -0.232
RESID 782 (I):        N       122.271       122.271       113.159         9.112
RESID 782 (I):       HA         4.341         4.341         4.351        -0.010
RESID 782 (I):       CA        58.992        58.992        59.086        -0.094
RESID 782 (I):       CB        37.907        37.907        40.368        -2.462
RESID 782 (I):        H         7.344         7.344         6.899         0.445
RESID 783 (G):        N       112.322       112.322       106.850         5.472
RESID 783 (G):       CA        44.523        44.523        44.212         0.311
RESID 783 (G):        H         8.122         8.122         7.851         0.271
RESID 784 (N):        N       118.727       118.727       118.561         0.166
RESID 784 (N):       HA         4.882         4.882         4.907        -0.025
RESID 784 (N):       CA        52.098        52.098        52.988        -0.890
RESID 784 (N):       CB        37.424        37.424        38.657        -1.232
RESID 784 (N):        H         8.452         8.452         8.450         0.002
RESID 785 (D):        N       119.826       119.826       120.679        -0.853
RESID 785 (D):       HA         4.778         4.778         4.762         0.016
RESID 785 (D):       CA        52.164        52.164        52.300        -0.136
RESID 785 (D):       CB        39.657        39.657        40.527        -0.870
RESID 785 (D):        H         8.145         8.145         7.789         0.356
RESID 786 (P):       HA         4.271         4.271         4.413        -0.142
RESID 786 (P):       CA        66.265        66.265        64.674         1.591
RESID 786 (P):       CB        32.011        32.011        32.039        -0.028
RESID 787 (Q):        N       118.097       118.097       116.989         1.108
RESID 787 (Q):       HA         4.141         4.141         4.322        -0.181
RESID 787 (Q):       CA        59.115        59.115        57.611         1.504
RESID 787 (Q):       CB        27.732        27.732        28.711        -0.979
RESID 787 (Q):        H         8.409         8.409         8.533        -0.124
RESID 788 (G):        N       113.421       113.421       108.494         4.927
RESID 788 (G):       CA        47.317        47.317        46.929         0.388
RESID 788 (G):        H         8.644         8.644         8.860        -0.216
RESID 789 (E):        N       121.223       121.223       121.275        -0.052
RESID 789 (E):       HA         4.148         4.148         4.261        -0.113
RESID 789 (E):       CA        59.344        59.344        59.259         0.085
RESID 789 (E):       CB        29.435        29.435        29.332         0.103
RESID 789 (E):        H         8.514         8.514         8.206         0.308
RESID 790 (A):        N       122.879       122.879       122.514         0.365
RESID 790 (A):       HA         4.247         4.247         4.214         0.033
RESID 790 (A):       CA        54.907        54.907        55.096        -0.188
RESID 790 (A):       CB        17.780        17.780        18.452        -0.672
RESID 790 (A):        H         8.024         8.024         7.620         0.404
RESID 791 (E):        N       122.622       122.622       119.171         3.451
RESID 791 (E):       HA         4.687         4.687         4.108         0.579
RESID 791 (E):       CA        58.134        58.134        58.556        -0.422
RESID 791 (E):       CB        29.061        29.061        29.471        -0.410
RESID 791 (E):        H         8.280         8.280         7.948         0.332
RESID 792 (F):        N       119.949       119.949       121.223        -1.274
RESID 792 (F):       HA         4.038         4.038         4.222        -0.184
RESID 792 (F):       CA        61.812        61.812        61.140         0.672
RESID 792 (F):       CB        38.598        38.598        38.520         0.078
RESID 792 (F):        H         8.722         8.722         8.859        -0.137
RESID 793 (A):        N       119.652       119.652       121.399        -1.747
RESID 793 (A):       HA         3.854         3.854         3.290         0.564
RESID 793 (A):       CA        54.902        54.902        54.425         0.477
RESID 793 (A):       CB        17.628        17.628        17.853        -0.225
RESID 793 (A):        H         8.163         8.163         7.662         0.501
RESID 794 (R):        N       121.092       121.092       119.398         1.694
RESID 794 (R):       HA         3.910         3.910         3.993        -0.083
RESID 794 (R):       CA        59.471        59.471        59.118         0.353
RESID 794 (R):       CB        30.092        30.092        30.194        -0.102
RESID 794 (R):        H         8.034         8.034         7.560         0.474
RESID 795 (I):        N       121.394       121.394       120.553         0.841
RESID 795 (I):       HA         3.388         3.388         3.716        -0.328
RESID 795 (I):       CA        65.848        65.848        65.399         0.449
RESID 795 (I):       CB        38.209        38.209        38.296        -0.087
RESID 795 (I):        H         8.049         8.049         8.068        -0.019
RESID 796 (M):        N       119.012       119.012       118.728         0.284
RESID 796 (M):       HA         4.155         4.155         3.971         0.184
RESID 796 (M):       CA        56.470        56.470        58.025        -1.555
RESID 796 (M):       CB        29.892        29.892        31.417        -1.525
RESID 796 (M):        H         8.589         8.589         8.252         0.337
RESID 797 (S):        N       114.132       114.132       112.770         1.362
RESID 797 (S):       HA         4.097         4.097         4.225        -0.128
RESID 797 (S):       CA        61.231        61.231        60.220         1.011
RESID 797 (S):       CB        62.895        62.895        63.501        -0.606
RESID 797 (S):        H         7.732         7.732         7.517         0.215
RESID 798 (I):        N       120.873       120.873       116.411         4.462
RESID 798 (I):       HA         3.818         3.818         4.175        -0.357
RESID 798 (I):       CA        63.875        63.875        63.118         0.757
RESID 798 (I):       CB        38.863        38.863        38.663         0.200
RESID 798 (I):        H         7.352         7.352         7.756        -0.404
RESID 799 (V):        N       110.552       110.552       113.013        -2.461
RESID 799 (V):       HA         4.243         4.243         4.071         0.172
RESID 799 (V):       CA        62.616        62.616        60.716         1.900
RESID 799 (V):       CB        32.416        32.416        30.742         1.674
RESID 799 (V):        H         7.648         7.648         7.868        -0.220
RESID 800 (D):        N       119.435       119.435       120.220        -0.785
RESID 800 (D):       HA         5.225         5.225         5.105         0.120
RESID 800 (D):       CA        51.715        51.715        50.048         1.667
RESID 800 (D):       CB        41.086        41.086        41.426        -0.340
RESID 800 (D):        H         8.074         8.074         7.496         0.578
RESID 801 (P):       HA         4.331         4.331         4.395        -0.064
RESID 801 (P):       CA        64.819        64.819        63.911         0.908
RESID 801 (P):       CB        31.689        31.689        32.019        -0.330
RESID 802 (N):        N       115.164       115.164       116.154        -0.990
RESID 802 (N):       HA         4.760         4.760         4.718         0.042
RESID 802 (N):       CA        52.998        52.998        52.704         0.294
RESID 802 (N):       CB        37.952        37.952        39.698        -1.746
RESID 802 (N):        H         8.949         8.949         7.626         1.323
RESID 803 (R):        N       117.446       117.446       116.201         1.245
RESID 803 (R):       HA         3.830         3.830         4.249        -0.419
RESID 803 (R):       CA        56.888        56.888        56.928        -0.040
RESID 803 (R):       CB        26.354        26.354        27.192        -0.838
RESID 803 (R):        H         7.958         7.958         7.923         0.035
RESID 804 (L):        N       123.307       123.307       116.792         6.515
RESID 804 (L):       HA         4.156         4.156         4.725        -0.569
RESID 804 (L):       CA        56.373        56.373        54.319         2.054
RESID 804 (L):       CB        42.930        42.930        41.816         1.115
RESID 804 (L):        H        10.591        10.591         8.187         2.404
RESID 805 (G):        N       110.516       110.516       107.286         3.230
RESID 805 (G):       CA        44.944        44.944        45.691        -0.747
RESID 805 (G):        H        11.001        11.001         8.237         2.764
RESID 806 (V):        N       109.840       109.840       114.627        -4.787
RESID 806 (V):       HA         4.571         4.571         4.372         0.199
RESID 806 (V):       CA        58.566        58.566        59.350        -0.784
RESID 806 (V):       CB        36.853        36.853        35.049         1.804
RESID 806 (V):        H         6.831         6.831         7.027        -0.196
RESID 807 (V):        N       122.184       122.184       122.349        -0.165
RESID 807 (V):       HA         4.167         4.167         4.409        -0.242
RESID 807 (V):       CA        61.644        61.644        60.758         0.887
RESID 807 (V):       CB        32.383        32.383        32.135         0.248
RESID 807 (V):        H         9.007         9.007         8.813         0.194
RESID 808 (T):        N       117.391       117.391       117.479        -0.088
RESID 808 (T):       HA         4.593         4.593         4.612        -0.019
RESID 808 (T):       CA        60.615        60.615        58.838         1.777
RESID 808 (T):       CB        70.695        70.695        71.395        -0.700
RESID 808 (T):        H         7.925         7.925         7.716         0.209
RESID 809 (F):        N       122.236       122.236       118.517         3.719
RESID 809 (F):       HA         3.640         3.640         4.492        -0.852
RESID 809 (F):       CA        61.749        61.749        61.614         0.135
RESID 809 (F):       CB        38.177        38.177        37.550         0.627
RESID 809 (F):        H         9.349         9.349         8.071         1.278
RESID 810 (Q):        N       116.788       116.788       117.303        -0.515
RESID 810 (Q):       HA         3.598         3.598         4.200        -0.602
RESID 810 (Q):       CA        58.582        58.582        57.847         0.735
RESID 810 (Q):       CB        28.199        28.199        28.487        -0.288
RESID 810 (Q):        H         8.572         8.572         7.942         0.630
RESID 811 (A):        N       121.208       121.208       122.127        -0.919
RESID 811 (A):       HA         4.119         4.119         4.190        -0.071
RESID 811 (A):       CA        54.911        54.911        53.810         1.101
RESID 811 (A):       CB        19.265        19.265        18.826         0.439
RESID 811 (A):        H         7.667         7.667         7.685        -0.018
RESID 812 (F):        N       119.805       119.805       118.887         0.918
RESID 812 (F):       HA         3.980         3.980         4.381        -0.401
RESID 812 (F):       CA        61.740        61.740        62.113        -0.373
RESID 812 (F):       CB        39.670        39.670        38.743         0.927
RESID 812 (F):        H         8.400         8.400         8.359         0.041
RESID 813 (I):        N       118.098       118.098       118.546        -0.448
RESID 813 (I):       HA         3.146         3.146         4.004        -0.858
RESID 813 (I):       CA        63.299        63.299        62.371         0.928
RESID 813 (I):       CB        36.202        36.202        36.381        -0.179
RESID 813 (I):        H         8.364         8.364         7.849         0.515
RESID 814 (D):        N       123.528       123.528       120.611         2.917
RESID 814 (D):       HA         4.196         4.196         4.359        -0.163
RESID 814 (D):       CA        57.680        57.680        57.523         0.157
RESID 814 (D):       CB        40.236        40.236        40.805        -0.569
RESID 814 (D):        H         8.221         8.221         7.855         0.366
RESID 815 (F):        N       120.584       120.584       119.321         1.263
RESID 815 (F):       HA         4.129         4.129         4.428        -0.299
RESID 815 (F):       CA        61.084        61.084        60.717         0.367
RESID 815 (F):       CB        39.698        39.698        39.607         0.091
RESID 815 (F):        H         7.887         7.887         7.883         0.004
RESID 816 (M):        N       116.960       116.960       118.928        -1.968
RESID 816 (M):       HA         3.782         3.782         4.049        -0.267
RESID 816 (M):       CA        55.662        55.662        57.205        -1.543
RESID 816 (M):       CB        30.033        30.033        31.632        -1.599
RESID 816 (M):        H         8.372         8.372         8.133         0.239
RESID 817 (S):        N       114.277       114.277       112.171         2.106
RESID 817 (S):       HA         4.194         4.194         4.337        -0.143
RESID 817 (S):       CA        60.521        60.521        59.911         0.610
RESID 817 (S):       CB        63.185        63.185        63.406        -0.221
RESID 817 (S):        H         8.074         8.074         8.364        -0.290
RESID 818 (R):        N       121.493       121.493       121.165         0.328
RESID 818 (R):       HA         4.124         4.124         4.120         0.004
RESID 818 (R):       CA        57.684        57.684        56.842         0.842
RESID 818 (R):       CB        30.315        30.315        29.062         1.253
RESID 818 (R):        H         7.288         7.288         8.102        -0.814
RESID 819 (E):        N       119.737       119.737       118.149         1.588
RESID 819 (E):       HA         4.101         4.101         4.138        -0.037
RESID 819 (E):       CA        57.066        57.066        58.557        -1.491
RESID 819 (E):       CB        30.491        30.491        29.133         1.358
RESID 819 (E):        H         8.045         8.045         7.595         0.450
RESID 820 (T):        N       112.128       112.128       110.007         2.121
RESID 820 (T):       HA         4.280         4.280         4.012         0.268
RESID 820 (T):       CA        62.055        62.055        62.408        -0.353
RESID 820 (T):       CB        69.828        69.828        69.050         0.778
RESID 820 (T):        H         7.760         7.760         7.354         0.406
RESID 821 (A):        N       126.098       126.098       124.955         1.143
RESID 821 (A):       HA         4.284         4.284         4.489        -0.205
RESID 821 (A):       CA        52.726        52.726        51.149         1.577
RESID 821 (A):       CB        19.304        19.304        20.732        -1.428
RESID 821 (A):        H         7.957         7.957         7.391         0.566
RESID 822 (D):        N       119.904       119.904       121.954        -2.050
RESID 822 (D):       HA         4.613         4.613         4.581         0.032
RESID 822 (D):       CA        54.335        54.335        55.355        -1.020
RESID 822 (D):       CB        41.032        41.032        41.419        -0.387
RESID 822 (D):        H         8.352         8.352         8.409        -0.057
RESID 823 (T):        N       114.142       114.142       116.839        -2.697
RESID 823 (T):       HA         4.278         4.278         4.551        -0.273
RESID 823 (T):       CA        62.117        62.117        60.772         1.345
RESID 823 (T):       CB        69.584        69.584        71.438        -1.854
RESID 823 (T):        H         8.079         8.079         8.073         0.006
RESID 824 (D):        N       123.261       123.261       119.995         3.266
RESID 824 (D):       HA         4.657         4.657         4.608         0.049
RESID 824 (D):       CA        54.786        54.786        56.121        -1.335
RESID 824 (D):       CB        41.085        41.085        40.804         0.281
RESID 824 (D):        H         8.431         8.431         8.778        -0.347
RESID 825 (T):        N       114.932       114.932       115.362        -0.430
RESID 825 (T):       HA         4.161         4.161         4.176        -0.015
RESID 825 (T):       CA        63.109        63.109        65.055        -1.946
RESID 825 (T):       CB        69.455        69.455        68.001         1.454
RESID 825 (T):        H         8.155         8.155         8.603        -0.448
RESID 826 (A):        N       124.961       124.961       124.683         0.278
RESID 826 (A):       HA         4.160         4.160         4.134         0.026
RESID 826 (A):       CA        54.392        54.392        54.182         0.210
RESID 826 (A):       CB        18.610        18.610        17.984         0.626
RESID 826 (A):        H         8.379         8.379         8.168         0.211
RESID 827 (D):        N       117.765       117.765       118.278        -0.513
RESID 827 (D):       HA         4.425         4.425         4.308         0.117
RESID 827 (D):       CA        56.051        56.051        57.411        -1.360
RESID 827 (D):       CB        40.559        40.559        40.907        -0.348
RESID 827 (D):        H         8.250         8.250         7.875         0.375
RESID 828 (Q):        N       120.523       120.523       118.510         2.013
RESID 828 (Q):       HA         4.091         4.091         4.059         0.032
RESID 828 (Q):       CA        57.814        57.814        58.277        -0.463
RESID 828 (Q):       CB        28.549        28.549        28.600        -0.051
RESID 828 (Q):        H         8.076         8.076         7.598         0.478
RESID 829 (V):        N       120.970       120.970       119.816         1.154
RESID 829 (V):       HA         3.525         3.525         3.890        -0.365
RESID 829 (V):       CA        65.194        65.194        64.585         0.608
RESID 829 (V):       CB        31.541        31.541        31.720        -0.179
RESID 829 (V):        H         8.051         8.051         7.303         0.748
RESID 830 (M):        N       119.572       119.572       120.204        -0.632
RESID 830 (M):       HA         4.006         4.006         4.130        -0.124
RESID 830 (M):       CA        57.977        57.977        57.877         0.100
RESID 830 (M):       CB        31.995        31.995        31.826         0.169
RESID 830 (M):        H         8.110         8.110         8.580        -0.470
RESID 831 (A):        N       121.059       121.059       121.260        -0.201
RESID 831 (A):       HA         4.045         4.045         3.376         0.669
RESID 831 (A):       CA        54.501        54.501        54.044         0.457
RESID 831 (A):       CB        18.067        18.067        17.593         0.474
RESID 831 (A):        H         7.836         7.836         7.634         0.202
RESID 832 (S):        N       114.256       114.256       115.668        -1.412
RESID 832 (S):       HA         4.141         4.141         4.000         0.141
RESID 832 (S):       CA        60.845        60.845        61.105        -0.260
RESID 832 (S):       CB        62.613        62.613        62.876        -0.263
RESID 832 (S):        H         7.714         7.714         7.642         0.072
RESID 833 (F):        N       121.847       121.847       119.362         2.485
RESID 833 (F):       HA         3.823         3.823         4.253        -0.430
RESID 833 (F):       CA        58.627        58.627        57.818         0.809
RESID 833 (F):       CB        38.127        38.127        37.465         0.662
RESID 833 (F):        H         7.740         7.740         7.531         0.209
RESID 834 (K):        N       118.759       118.759       120.763        -2.004
RESID 834 (K):       HA         3.589         3.589         3.862        -0.273
RESID 834 (K):       CA        59.384        59.384        58.272         1.112
RESID 834 (K):       CB        32.143        32.143        32.200        -0.057
RESID 834 (K):        H         7.843         7.843         7.789         0.054
RESID 835 (I):        N       118.537       118.537       120.441        -1.904
RESID 835 (I):       HA         3.736         3.736         3.705         0.031
RESID 835 (I):       CA        63.714        63.714        64.940        -1.226
RESID 835 (I):       CB        37.825        37.825        38.065        -0.240
RESID 835 (I):        H         7.315         7.315         7.168         0.147
RESID 836 (L):        N       121.201       121.201       119.030         2.171
RESID 836 (L):       HA         3.955         3.955         3.801         0.154
RESID 836 (L):       CA        57.074        57.074        57.395        -0.321
RESID 836 (L):       CB        42.415        42.415        41.764         0.651
RESID 836 (L):        H         7.625         7.625         8.249        -0.624
RESID 837 (A):        N       119.184       119.184       118.394         0.790
RESID 837 (A):       HA         3.895         3.895         3.960        -0.065
RESID 837 (A):       CA        53.301        53.301        53.806        -0.505
RESID 837 (A):       CB        19.338        19.338        18.932         0.406
RESID 837 (A):        H         8.099         8.099         7.357         0.742
RESID 838 (G):        N       107.030       107.030       107.237        -0.207
RESID 838 (G):       CA        46.918        46.918        46.594         0.324
RESID 838 (G):        H         7.676         7.676         8.176        -0.500
RESID 839 (D):        N       122.291       122.291       124.407        -2.116
RESID 839 (D):       HA         4.477         4.477         4.905        -0.428
RESID 839 (D):       CA        54.511        54.511        52.905         1.606
RESID 839 (D):       CB        40.181        40.181        41.930        -1.749
RESID 839 (D):        H         8.704         8.704         8.103         0.601
RESID 840 (K):        N       117.582       117.582       119.901        -2.319
RESID 840 (K):       HA         4.301         4.301         4.355        -0.054
RESID 840 (K):       CA        55.780        55.780        56.185        -0.405
RESID 840 (K):       CB        33.710        33.710        32.909         0.801
RESID 840 (K):        H         7.583         7.583         7.476         0.107
RESID 841 (N):        N       116.678       116.678       116.592         0.086
RESID 841 (N):       HA         4.611         4.611         4.510         0.101
RESID 841 (N):       CA        53.466        53.466        54.349        -0.882
RESID 841 (N):       CB        39.155        39.155        38.902         0.253
RESID 841 (N):        H         8.693         8.693         8.991        -0.298
RESID 842 (Y):        N       112.236       112.236       113.525        -1.289
RESID 842 (Y):       HA         4.986         4.986         4.828         0.158
RESID 842 (Y):       CA        54.918        54.918        56.116        -1.198
RESID 842 (Y):       CB        40.595        40.595        40.487         0.108
RESID 842 (Y):        H         6.637         6.637         7.277        -0.640
RESID 843 (I):        N       115.475       115.475       122.222        -6.747
RESID 843 (I):       HA         4.792         4.792         4.583         0.209
RESID 843 (I):       CA        58.957        58.957        58.243         0.714
RESID 843 (I):       CB        43.009        43.009        42.684         0.324
RESID 843 (I):        H         8.630         8.630         9.263        -0.633
RESID 844 (T):        N       117.169       117.169       118.746        -1.577
RESID 844 (T):       HA         5.370         5.370         5.235         0.135
RESID 844 (T):       CA        60.177        60.177        60.712        -0.535
RESID 844 (T):       CB        71.088        71.088        70.535         0.553
RESID 844 (T):        H         9.330         9.330         9.293         0.037
RESID 845 (M):        N       119.860       119.860       120.247        -0.387
RESID 845 (M):       HA         3.824         3.824         4.034        -0.210
RESID 845 (M):       CA        60.321        60.321        60.367        -0.046
RESID 845 (M):       CB        33.030        33.030        32.347         0.683
RESID 845 (M):        H         8.556         8.556         8.750        -0.194
RESID 846 (D):        N       116.363       116.363       117.446        -1.083
RESID 846 (D):       HA         4.280         4.280         4.479        -0.199
RESID 846 (D):       CA        57.404        57.404        56.519         0.885
RESID 846 (D):       CB        40.584        40.584        40.279         0.305
RESID 846 (D):        H         8.377         8.377         8.598        -0.221
RESID 847 (E):        N       120.577       120.577       118.818         1.759
RESID 847 (E):       HA         3.854         3.854         4.058        -0.204
RESID 847 (E):       CA        59.657        59.657        58.926         0.731
RESID 847 (E):       CB        29.660        29.660        29.916        -0.257
RESID 847 (E):        H         7.855         7.855         7.715         0.140
RESID 848 (L):        N       118.714       118.714       119.175        -0.461
RESID 848 (L):       HA         3.822         3.822         4.096        -0.274
RESID 848 (L):       CA        58.725        58.725        57.235         1.490
RESID 848 (L):       CB        42.457        42.457        42.061         0.396
RESID 848 (L):        H         7.849         7.849         7.481         0.368
RESID 849 (R):        N       113.972       113.972       115.082        -1.110
RESID 849 (R):       HA         3.924         3.924         4.496        -0.572
RESID 849 (R):       CA        58.595        58.595        56.954         1.641
RESID 849 (R):       CB        30.100        30.100        29.133         0.968
RESID 849 (R):        H         8.053         8.053         7.771         0.282
RESID 850 (R):        N       118.178       118.178       118.447        -0.269
RESID 850 (R):       HA         4.193         4.193         4.425        -0.232
RESID 850 (R):       CA        58.245        58.245        57.556         0.688
RESID 850 (R):       CB        31.120        31.120        31.777        -0.657
RESID 850 (R):        H         7.743         7.743         7.948        -0.205
RESID 851 (E):        N       115.518       115.518       118.377        -2.859
RESID 851 (E):       HA         4.350         4.350         4.382        -0.032
RESID 851 (E):       CA        56.886        56.886        57.196        -0.309
RESID 851 (E):       CB        31.590        31.590        31.532         0.058
RESID 851 (E):        H         7.596         7.596         7.790        -0.194
RESID 852 (L):        N       119.148       119.148       121.216        -2.068
RESID 852 (L):       HA         4.894         4.894         5.293        -0.399
RESID 852 (L):       CA        52.174        52.174        51.470         0.704
RESID 852 (L):       CB        42.469        42.469        42.232         0.237
RESID 852 (L):        H         7.890         7.890         7.983        -0.093
RESID 853 (P):       HA         4.347         4.347         4.497        -0.150
RESID 853 (P):       CA        65.119        65.119        64.100         1.019
RESID 853 (P):       CB        31.631        31.631        30.194         1.437
RESID 854 (P):       HA         4.270         4.270         4.537        -0.267
RESID 854 (P):       CA        66.336        66.336        61.878         4.458
RESID 854 (P):       CB        32.256        32.256        33.252        -0.996
RESID 855 (D):        N       114.865       114.865       119.107        -4.242
RESID 855 (D):       HA         4.349         4.349         4.422        -0.073
RESID 855 (D):       CA        56.913        56.913        57.784        -0.871
RESID 855 (D):       CB        39.244        39.244        41.013        -1.768
RESID 855 (D):        H         8.801         8.801         8.388         0.413
RESID 856 (Q):        N       121.465       121.465       118.638         2.827
RESID 856 (Q):       HA         4.199         4.199         4.246        -0.047
RESID 856 (Q):       CA        58.317        58.317        59.520        -1.203
RESID 856 (Q):       CB        29.247        29.247        28.216         1.031
RESID 856 (Q):        H         7.472         7.472         8.615        -1.143
RESID 857 (A):        N       122.805       122.805       122.381         0.424
RESID 857 (A):       HA         3.799         3.799         3.899        -0.100
RESID 857 (A):       CA        56.303        56.303        56.289         0.014
RESID 857 (A):       CB        17.944        17.944        18.294        -0.350
RESID 857 (A):        H         8.882         8.882         8.173         0.709
RESID 858 (E):        N       114.094       114.094       119.194        -5.100
RESID 858 (E):       HA         4.024         4.024         4.024        -0.000
RESID 858 (E):       CA        58.682        58.682        58.892        -0.210
RESID 858 (E):       CB        28.639        28.639        28.955        -0.316
RESID 858 (E):        H         8.155         8.155         7.923         0.232
RESID 859 (Y):        N       120.665       120.665       122.035        -1.370
RESID 859 (Y):       HA         4.084         4.084         4.196        -0.112
RESID 859 (Y):       CA        61.006        61.006        60.951         0.055
RESID 859 (Y):       CB        38.687        38.687        38.179         0.508
RESID 859 (Y):        H         7.708         7.708         8.597        -0.889
RESID 860 (C):        N       115.812       115.812       117.191        -1.379
RESID 860 (C):       HA         4.158         4.158         3.376         0.782
RESID 860 (C):       CA        64.254        64.254        64.084         0.170
RESID 860 (C):       CB        27.304        27.304        26.997         0.308
RESID 860 (C):        H         8.113         8.113         7.502         0.611
RESID 861 (I):        N       120.078       120.078       120.032         0.046
RESID 861 (I):       HA         3.339         3.339         3.706        -0.367
RESID 861 (I):       CA        65.643        65.643        65.263         0.380
RESID 861 (I):       CB        38.714        38.714        37.843         0.871
RESID 861 (I):        H         8.453         8.453         8.094         0.359
RESID 862 (A):        N       116.691       116.691       122.538        -5.847
RESID 862 (A):       HA         4.209         4.209         4.053         0.156
RESID 862 (A):       CA        53.222        53.222        55.036        -1.814
RESID 862 (A):       CB        19.002        19.002        18.930         0.072
RESID 862 (A):        H         7.307         7.307         8.291        -0.984
RESID 863 (R):        N       117.226       117.226       116.368         0.858
RESID 863 (R):       HA         4.274         4.274         4.381        -0.107
RESID 863 (R):       CA        56.051        56.051        56.462        -0.411
RESID 863 (R):       CB        31.389        31.389        30.511         0.878
RESID 863 (R):        H         7.358         7.358         7.719        -0.361
RESID 864 (M):        N       117.583       117.583       118.252        -0.669
RESID 864 (M):       HA         4.561         4.561         4.368         0.193
RESID 864 (M):       CA        54.927        54.927        56.221        -1.294
RESID 864 (M):       CB        37.418        37.418        33.946         3.472
RESID 864 (M):        H         7.153         7.153         7.332        -0.179
RESID 865 (A):        N       124.643       124.643       125.714        -1.071
RESID 865 (A):       HA         3.866         3.866         4.641        -0.775
RESID 865 (A):       CA        49.194        49.194        49.673        -0.479
RESID 865 (A):       CB        18.647        18.647        18.635         0.012
RESID 865 (A):        H         8.557         8.557         8.191         0.366
RESID 866 (P):       HA         4.496         4.496         4.551        -0.055
RESID 866 (P):       CA        62.724        62.724        62.806        -0.082
RESID 866 (P):       CB        31.980        31.980        30.425         1.555
RESID 867 (Y):        N       122.461       122.461       126.494        -4.033
RESID 867 (Y):       HA         4.728         4.728         4.571         0.157
RESID 867 (Y):       CA        57.096        57.096        56.760         0.336
RESID 867 (Y):       CB        39.175        39.175        38.111         1.064
RESID 867 (Y):        H         8.128         8.128         8.101         0.027
RESID 868 (T):       HA         4.351         4.351         4.570        -0.219
RESID 868 (T):       CA        60.271        60.271        59.819         0.452
RESID 868 (T):       CB        68.737        68.737        71.570        -2.833
RESID 869 (G):       CA        44.914        44.914        45.401        -0.487
RESID 870 (P):       HA         4.329         4.329         4.476        -0.147
RESID 870 (P):       CA        64.697        64.697        63.984         0.713
RESID 870 (P):       CB        31.579        31.579        32.194        -0.615
RESID 871 (D):        N       116.207       116.207       117.068        -0.861
RESID 871 (D):       HA         4.604         4.604         4.641        -0.037
RESID 871 (D):       CA        52.749        52.749        53.974        -1.225
RESID 871 (D):       CB        38.929        38.929        40.213        -1.284
RESID 871 (D):        H         9.267         9.267         8.219         1.048
RESID 872 (S):        N       112.349       112.349       115.252        -2.903
RESID 872 (S):       HA         3.497         3.497         4.541        -1.044
RESID 872 (S):       CA        59.065        59.065        57.765         1.300
RESID 872 (S):       CB        63.125        63.125        64.668        -1.543
RESID 872 (S):        H         7.487         7.487         7.277         0.210
RESID 873 (V):        N       113.567       113.567       113.284         0.283
RESID 873 (V):       HA         4.729         4.729         4.573         0.156
RESID 873 (V):       CA        58.044        58.044        58.165        -0.121
RESID 873 (V):       CB        32.911        32.911        32.425         0.486
RESID 873 (V):        H         6.411         6.411         8.140        -1.729
RESID 874 (P):       HA         4.296         4.296         4.455        -0.159
RESID 874 (P):       CA        64.335        64.335        63.910         0.425
RESID 874 (P):       CB        31.515        31.515        31.993        -0.478
RESID 875 (G):        N       112.118       112.118       107.284         4.834
RESID 875 (G):       CA        45.557        45.557        44.501         1.056
RESID 875 (G):        H         8.800         8.800         8.120         0.680
RESID 876 (A):        N       120.262       120.262       124.084        -3.822
RESID 876 (A):       HA         4.100         4.100         5.638        -1.538
RESID 876 (A):       CA        53.073        53.073        50.307         2.766
RESID 876 (A):       CB        20.508        20.508        21.613        -1.105
RESID 876 (A):        H         7.762         7.762         7.672         0.090
RESID 877 (L):        N       125.695       125.695       121.283         4.412
RESID 877 (L):       HA         4.776         4.776         5.134        -0.358
RESID 877 (L):       CA        54.269        54.269        53.717         0.552
RESID 877 (L):       CB        44.799        44.799        47.134        -2.335
RESID 877 (L):        H         9.595         9.595         9.364         0.231
RESID 878 (D):        N       119.823       119.823       121.425        -1.602
RESID 878 (D):       HA         4.879         4.879         4.471         0.408
RESID 878 (D):       CA        51.997        51.997        52.321        -0.324
RESID 878 (D):       CB        40.781        40.781        41.387        -0.606
RESID 878 (D):        H         9.031         9.031         8.183         0.848
RESID 879 (Y):        N       126.556       126.556       123.890         2.666
RESID 879 (Y):       HA         4.591         4.591         3.879         0.712
RESID 879 (Y):       CA        59.396        59.396        59.346         0.050
RESID 879 (Y):       CB        37.321        37.321        37.358        -0.037
RESID 879 (Y):        H         7.456         7.456         7.814        -0.358
RESID 880 (M):        N       119.958       119.958       114.286         5.672
RESID 880 (M):       HA         4.605         4.605         4.652        -0.047
RESID 880 (M):       CA        56.044        56.044        56.863        -0.819
RESID 880 (M):       CB        30.101        30.101        33.477        -3.376
RESID 880 (M):        H         7.627         7.627         7.313         0.314
RESID 881 (S):        N       114.328       114.328       115.703        -1.375
RESID 881 (S):       HA         4.471         4.471         4.556        -0.085
RESID 881 (S):       CA        58.917        58.917        57.430         1.487
RESID 881 (S):       CB        64.447        64.447        63.610         0.837
RESID 881 (S):        H         7.726         7.726         8.101        -0.375
RESID 882 (F):        N       122.735       122.735       119.587         3.148
RESID 882 (F):       HA         4.722         4.722         4.332         0.390
RESID 882 (F):       CA        59.231        59.231        56.792         2.439
RESID 882 (F):       CB        40.285        40.285        38.667         1.618
RESID 882 (F):        H         7.385         7.385         7.628        -0.243
RESID 883 (S):        N       120.156       120.156       117.443         2.713
RESID 883 (S):       HA         4.299         4.299         4.368        -0.069
RESID 883 (S):       CA        57.280        57.280        58.356        -1.076
RESID 883 (S):       CB        64.601        64.601        63.901         0.700
RESID 883 (S):        H         7.472         7.472         8.436        -0.964
RESID 884 (T):        N       110.683       110.683       116.620        -5.937
RESID 884 (T):       HA         3.966         3.966         4.251        -0.285
RESID 884 (T):       CA        63.465        63.465        62.883         0.582
RESID 884 (T):       CB        68.899        68.899        68.891         0.008
RESID 884 (T):        H         7.996         7.996         8.172        -0.176
RESID 885 (A):        N       125.456       125.456       123.036         2.420
RESID 885 (A):       HA         4.236         4.236         4.428        -0.192
RESID 885 (A):       CA        52.030        52.030        52.355        -0.326
RESID 885 (A):       CB        19.225        19.225        19.064         0.161
RESID 885 (A):        H         7.905         7.905         8.040        -0.135
RESID 886 (L):        N       120.638       120.638       117.065         3.573
RESID 886 (L):       HA         4.002         4.002         4.397        -0.395
RESID 886 (L):       CA        55.462        55.462        53.597         1.865
RESID 886 (L):       CB        42.265        42.265        44.608        -2.343
RESID 886 (L):        H         8.079         8.079         7.388         0.691
RESID 887 (Y):        N       121.526       121.526       118.547         2.979
RESID 887 (Y):       HA         4.356         4.356         4.643        -0.287
RESID 887 (Y):       CA        58.750        58.750        58.537         0.213
RESID 887 (Y):       CB        38.569        38.569        38.364         0.205
RESID 887 (Y):        H         8.267         8.267         7.761         0.506
RESID 888 (G):        N       112.379       112.379       106.777         5.602
RESID 888 (G):       CA        45.090        45.090        44.680         0.410
RESID 888 (G):        H         8.087         8.087         7.369         0.718
RESID 889 (E):        N       120.255       120.255       119.032         1.223
RESID 889 (E):       HA         4.256         4.256         4.661        -0.405
RESID 889 (E):       CA        56.445        56.445        56.652        -0.207
RESID 889 (E):       CB        30.393        30.393        31.879        -1.486
RESID 889 (E):        H         7.994         7.994         8.709        -0.715
RESID 890 (S):        N       116.375       116.375       115.370         1.005
RESID 890 (S):       HA         4.415         4.415         4.655        -0.240
RESID 890 (S):       CA        58.204        58.204        58.527        -0.323
RESID 890 (S):       CB        63.913        63.913        63.918        -0.005
RESID 890 (S):        H         8.329         8.329         8.369        -0.040
RESID 891 (D):        N       123.017       123.017       121.401         1.616
RESID 891 (D):       HA         4.610         4.610         4.886        -0.276
RESID 891 (D):       CA        54.371        54.371        54.929        -0.558
RESID 891 (D):       CB        41.013        41.013        41.322        -0.309
RESID 891 (D):        H         8.394         8.394         8.377         0.017

                         N          HA           C          CA          CB           H
RESID 743 (I):       0.438       0.358       -----      -1.887       0.828      -0.471
RESID 744 (S):       1.874      -0.096       -----       0.489       0.359       0.392
RESID 745 (Q):      -2.478      -0.157       -----      -0.369      -0.200       0.037
RESID 746 (E):      -0.812      -0.160       -----       1.306      -0.654       0.863
RESID 747 (Q):       0.500      -0.371       -----      -0.764       0.764      -0.616
RESID 748 (M):       3.340      -0.232       -----      -1.134      -1.324       0.191
RESID 749 (N):      -1.225      -0.012       -----      -0.152      -1.231       0.533
RESID 750 (E):       3.928       0.061       -----       1.002      -0.535      -0.467
RESID 751 (F):      -2.690       0.634       -----      -1.124      -1.682       0.083
RESID 752 (R):       0.188       0.199       -----       1.416       1.333       0.908
RESID 753 (A):      -1.275      -0.207       -----       0.878      -0.023       0.216
RESID 754 (S):       0.550       0.205       -----       2.923       0.730       0.605
RESID 755 (F):       3.261      -0.309       -----       3.193       1.331       1.035
RESID 756 (N):       0.624       0.228       -----       3.449      -1.152       0.883
RESID 757 (H):      -1.590      -0.202       -----       0.945      -0.303       0.476
RESID 758 (F):      -3.547      -0.323       -----       2.426      -1.710       0.093
RESID 759 (D):      -0.268       0.054       -----      -2.783      -2.505      -0.475
RESID 760 (R):      -2.733      -0.282       -----      -0.495      -0.422      -0.539
RESID 761 (D):       0.889      -0.233       -----      -1.307      -1.671      -0.170
RESID 762 (H):      -1.947      -0.029       -----      -0.113      -2.256      -0.225
RESID 763 (S):       1.675      -0.019       -----       0.660       0.871       0.747
RESID 764 (G):       6.614       -----       -----      -0.209       -----       2.324
RESID 765 (T):      -3.370      -0.379       -----      -2.042       1.438      -0.363
RESID 766 (L):      -0.036       0.066       -----      -1.391      -0.758       0.483
RESID 767 (G):       0.023       -----       -----       0.226       -----      -0.203
RESID 768 (P):       -----      -0.238       -----       1.029      -0.093       -----
RESID 769 (E):      -1.912      -0.102       -----       0.827      -0.382      -0.356
RESID 770 (E):       2.861       0.016       -----       0.173       1.448      -0.524
RESID 771 (F):      -4.457       0.091       -----      -2.093      -0.643       0.173
RESID 772 (K):       1.248      -0.351       -----       2.403       1.150       0.583
RESID 773 (A):      -2.194      -0.139       -----       1.282      -1.231      -0.213
RESID 774 (C):       1.759      -0.575       -----      -0.651      -0.775      -0.328
RESID 775 (L):       0.502       0.241       -----       1.619      -0.096       0.733
RESID 776 (I):       3.154       1.600       -----       1.031       0.817       1.683
RESID 777 (S):       4.656       0.103       -----       1.516       0.253       0.488
RESID 778 (L):       3.715       0.051       -----       1.198       0.178       0.477
RESID 779 (G):      -0.638       -----       -----       0.073       -----       0.709
RESID 780 (Y):       3.391      -0.433       -----       3.828      -0.187       0.731
RESID 781 (D):       6.673       0.002       -----      -1.016      -0.914      -0.232
RESID 782 (I):       9.112      -0.010       -----      -0.094      -2.462       0.445
RESID 783 (G):       5.472       -----       -----       0.311       -----       0.271
RESID 784 (N):       0.166      -0.025       -----      -0.890      -1.232       0.002
RESID 785 (D):      -0.853       0.016       -----      -0.136      -0.870       0.356
RESID 786 (P):       -----      -0.142       -----       1.591      -0.028       -----
RESID 787 (Q):       1.108      -0.181       -----       1.504      -0.979      -0.124
RESID 788 (G):       4.927       -----       -----       0.388       -----      -0.216
RESID 789 (E):      -0.052      -0.113       -----       0.085       0.103       0.308
RESID 790 (A):       0.365       0.033       -----      -0.188      -0.672       0.404
RESID 791 (E):       3.451       0.579       -----      -0.422      -0.410       0.332
RESID 792 (F):      -1.274      -0.184       -----       0.672       0.078      -0.137
RESID 793 (A):      -1.747       0.564       -----       0.477      -0.225       0.501
RESID 794 (R):       1.694      -0.083       -----       0.353      -0.102       0.474
RESID 795 (I):       0.841      -0.328       -----       0.449      -0.087      -0.019
RESID 796 (M):       0.284       0.184       -----      -1.555      -1.525       0.337
RESID 797 (S):       1.362      -0.128       -----       1.011      -0.606       0.215
RESID 798 (I):       4.462      -0.357       -----       0.757       0.200      -0.404
RESID 799 (V):      -2.461       0.172       -----       1.900       1.674      -0.220
RESID 800 (D):      -0.785       0.120       -----       1.667      -0.340       0.578
RESID 801 (P):       -----      -0.064       -----       0.908      -0.330       -----
RESID 802 (N):      -0.990       0.042       -----       0.294      -1.746       1.323
RESID 803 (R):       1.245      -0.419       -----      -0.040      -0.838       0.035
RESID 804 (L):       6.515      -0.569       -----       2.054       1.115       2.404
RESID 805 (G):       3.230       -----       -----      -0.747       -----       2.764
RESID 806 (V):      -4.787       0.199       -----      -0.784       1.804      -0.196
RESID 807 (V):      -0.165      -0.242       -----       0.887       0.248       0.194
RESID 808 (T):      -0.088      -0.019       -----       1.777      -0.700       0.209
RESID 809 (F):       3.719      -0.852       -----       0.135       0.627       1.278
RESID 810 (Q):      -0.515      -0.602       -----       0.735      -0.288       0.630
RESID 811 (A):      -0.919      -0.071       -----       1.101       0.439      -0.018
RESID 812 (F):       0.918      -0.401       -----      -0.373       0.927       0.041
RESID 813 (I):      -0.448      -0.858       -----       0.928      -0.179       0.515
RESID 814 (D):       2.917      -0.163       -----       0.157      -0.569       0.366
RESID 815 (F):       1.263      -0.299       -----       0.367       0.091       0.004
RESID 816 (M):      -1.968      -0.267       -----      -1.543      -1.599       0.239
RESID 817 (S):       2.106      -0.143       -----       0.610      -0.221      -0.290
RESID 818 (R):       0.328       0.004       -----       0.842       1.253      -0.814
RESID 819 (E):       1.588      -0.037       -----      -1.491       1.358       0.450
RESID 820 (T):       2.121       0.268       -----      -0.353       0.778       0.406
RESID 821 (A):       1.143      -0.205       -----       1.577      -1.428       0.566
RESID 822 (D):      -2.050       0.032       -----      -1.020      -0.387      -0.057
RESID 823 (T):      -2.697      -0.273       -----       1.345      -1.854       0.006
RESID 824 (D):       3.266       0.049       -----      -1.335       0.281      -0.347
RESID 825 (T):      -0.430      -0.015       -----      -1.946       1.454      -0.448
RESID 826 (A):       0.278       0.026       -----       0.210       0.626       0.211
RESID 827 (D):      -0.513       0.117       -----      -1.360      -0.348       0.375
RESID 828 (Q):       2.013       0.032       -----      -0.463      -0.051       0.478
RESID 829 (V):       1.154      -0.365       -----       0.608      -0.179       0.748
RESID 830 (M):      -0.632      -0.124       -----       0.100       0.169      -0.470
RESID 831 (A):      -0.201       0.669       -----       0.457       0.474       0.202
RESID 832 (S):      -1.412       0.141       -----      -0.260      -0.263       0.072
RESID 833 (F):       2.485      -0.430       -----       0.809       0.662       0.209
RESID 834 (K):      -2.004      -0.273       -----       1.112      -0.057       0.054
RESID 835 (I):      -1.904       0.031       -----      -1.226      -0.240       0.147
RESID 836 (L):       2.171       0.154       -----      -0.321       0.651      -0.624
RESID 837 (A):       0.790      -0.065       -----      -0.505       0.406       0.742
RESID 838 (G):      -0.207       -----       -----       0.324       -----      -0.500
RESID 839 (D):      -2.116      -0.428       -----       1.606      -1.749       0.601
RESID 840 (K):      -2.319      -0.054       -----      -0.405       0.801       0.107
RESID 841 (N):       0.086       0.101       -----      -0.882       0.253      -0.298
RESID 842 (Y):      -1.289       0.158       -----      -1.198       0.108      -0.640
RESID 843 (I):      -6.747       0.209       -----       0.714       0.324      -0.633
RESID 844 (T):      -1.577       0.135       -----      -0.535       0.553       0.037
RESID 845 (M):      -0.387      -0.210       -----      -0.046       0.683      -0.194
RESID 846 (D):      -1.083      -0.199       -----       0.885       0.305      -0.221
RESID 847 (E):       1.759      -0.204       -----       0.731      -0.257       0.140
RESID 848 (L):      -0.461      -0.274       -----       1.490       0.396       0.368
RESID 849 (R):      -1.110      -0.572       -----       1.641       0.968       0.282
RESID 850 (R):      -0.269      -0.232       -----       0.688      -0.657      -0.205
RESID 851 (E):      -2.859      -0.032       -----      -0.309       0.058      -0.194
RESID 852 (L):      -2.068      -0.399       -----       0.704       0.237      -0.093
RESID 853 (P):       -----      -0.150       -----       1.019       1.437       -----
RESID 854 (P):       -----      -0.267       -----       4.458      -0.996       -----
RESID 855 (D):      -4.242      -0.073       -----      -0.871      -1.768       0.413
RESID 856 (Q):       2.827      -0.047       -----      -1.203       1.031      -1.143
RESID 857 (A):       0.424      -0.100       -----       0.014      -0.350       0.709
RESID 858 (E):      -5.100      -0.000       -----      -0.210      -0.316       0.232
RESID 859 (Y):      -1.370      -0.112       -----       0.055       0.508      -0.889
RESID 860 (C):      -1.379       0.782       -----       0.170       0.308       0.611
RESID 861 (I):       0.046      -0.367       -----       0.380       0.871       0.359
RESID 862 (A):      -5.847       0.156       -----      -1.814       0.072      -0.984
RESID 863 (R):       0.858      -0.107       -----      -0.411       0.878      -0.361
RESID 864 (M):      -0.669       0.193       -----      -1.294       3.472      -0.179
RESID 865 (A):      -1.071      -0.775       -----      -0.479       0.012       0.366
RESID 866 (P):       -----      -0.055       -----      -0.082       1.555       -----
RESID 867 (Y):      -4.033       0.157       -----       0.336       1.064       0.027
RESID 868 (T):       -----      -0.219       -----       0.452      -2.833       -----
RESID 869 (G):       -----       -----       -----      -0.487       -----       -----
RESID 870 (P):       -----      -0.147       -----       0.713      -0.615       -----
RESID 871 (D):      -0.861      -0.037       -----      -1.225      -1.284       1.048
RESID 872 (S):      -2.903      -1.044       -----       1.300      -1.543       0.210
RESID 873 (V):       0.283       0.156       -----      -0.121       0.486      -1.729
RESID 874 (P):       -----      -0.159       -----       0.425      -0.478       -----
RESID 875 (G):       4.834       -----       -----       1.056       -----       0.680
RESID 876 (A):      -3.822      -1.538       -----       2.766      -1.105       0.090
RESID 877 (L):       4.412      -0.358       -----       0.552      -2.335       0.231
RESID 878 (D):      -1.602       0.408       -----      -0.324      -0.606       0.848
RESID 879 (Y):       2.666       0.712       -----       0.050      -0.037      -0.358
RESID 880 (M):       5.672      -0.047       -----      -0.819      -3.376       0.314
RESID 881 (S):      -1.375      -0.085       -----       1.487       0.837      -0.375
RESID 882 (F):       3.148       0.390       -----       2.439       1.618      -0.243
RESID 883 (S):       2.713      -0.069       -----      -1.076       0.700      -0.964
RESID 884 (T):      -5.937      -0.285       -----       0.582       0.008      -0.176
RESID 885 (A):       2.420      -0.192       -----      -0.326       0.161      -0.135
RESID 886 (L):       3.573      -0.395       -----       1.865      -2.343       0.691
RESID 887 (Y):       2.979      -0.287       -----       0.213       0.205       0.506
RESID 888 (G):       5.602       -----       -----       0.410       -----       0.718
RESID 889 (E):       1.223      -0.405       -----      -0.207      -1.486      -0.715
RESID 890 (S):       1.005      -0.240       -----      -0.323      -0.005      -0.040
RESID 891 (D):       1.616      -0.276       -----      -0.558      -0.309       0.017

DATA CS_STAT_INFO  N  RMS:   2.762 ppm Count: 139 Average Difference: -0.358 +/- 2.748 ppm
DATA CS_STAT_INFO  HA RMS:   0.356 ppm Count: 160 Average Difference:  0.061 +/- 0.352 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   1.236 ppm Count: 150 Average Difference: -0.270 +/- 1.210 ppm
DATA CS_STAT_INFO  CB RMS:   1.071 ppm Count: 140 Average Difference:  0.129 +/- 1.067 ppm
DATA CS_STAT_INFO  HN RMS:   0.641 ppm Count: 139 Average Difference: -0.166 +/- 0.621 ppm


############################################################################
For conformer 6:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 742 (S):       HA         4.525         4.525         4.224         0.301
RESID 742 (S):       CA        58.148        58.148        60.124        -1.976
RESID 742 (S):       CB        63.791        63.791        63.059         0.732
RESID 743 (I):        N       122.172       122.172       121.634         0.538
RESID 743 (I):       HA         4.362         4.362         4.147         0.215
RESID 743 (I):       CA        60.421        60.421        61.013        -0.592
RESID 743 (I):       CB        39.166        39.166        39.131         0.035
RESID 743 (I):        H         8.132         8.132         8.180        -0.048
RESID 744 (S):        N       123.144       123.144       122.647         0.497
RESID 744 (S):       HA         4.449         4.449         4.729        -0.280
RESID 744 (S):       CA        57.463        57.463        57.031         0.432
RESID 744 (S):       CB        65.219        65.219        65.858        -0.639
RESID 744 (S):        H         8.848         8.848         8.308         0.540
RESID 745 (Q):        N       121.619       121.619       121.380         0.239
RESID 745 (Q):       HA         3.952         3.952         4.151        -0.199
RESID 745 (Q):       CA        58.768        58.768        59.020        -0.252
RESID 745 (Q):       CB        28.512        28.512        28.671        -0.159
RESID 745 (Q):        H         9.042         9.042         9.120        -0.078
RESID 746 (E):        N       118.648       118.648       119.008        -0.360
RESID 746 (E):       HA         4.004         4.004         4.192        -0.188
RESID 746 (E):       CA        60.223        60.223        58.531         1.692
RESID 746 (E):       CB        28.854        28.854        29.356        -0.502
RESID 746 (E):        H         8.721         8.721         8.437         0.284
RESID 747 (Q):        N       120.463       120.463       120.519        -0.056
RESID 747 (Q):       HA         3.766         3.766         4.102        -0.336
RESID 747 (Q):       CA        58.306        58.306        58.829        -0.523
RESID 747 (Q):       CB        28.948        28.948        28.569         0.379
RESID 747 (Q):        H         7.838         7.838         8.336        -0.498
RESID 748 (M):        N       119.252       119.252       115.276         3.976
RESID 748 (M):       HA         4.200         4.200         4.448        -0.248
RESID 748 (M):       CA        58.096        58.096        59.152        -1.056
RESID 748 (M):       CB        30.900        30.900        32.325        -1.425
RESID 748 (M):        H         8.473         8.473         8.090         0.383
RESID 749 (N):        N       117.740       117.740       118.320        -0.580
RESID 749 (N):       HA         4.474         4.474         4.557        -0.083
RESID 749 (N):       CA        55.795        55.795        55.537         0.258
RESID 749 (N):       CB        37.413        37.413        38.788        -1.375
RESID 749 (N):        H         8.334         8.334         7.745         0.589
RESID 750 (E):        N       122.848       122.848       118.596         4.252
RESID 750 (E):       HA         4.204         4.204         4.191         0.013
RESID 750 (E):       CA        59.341        59.341        58.204         1.137
RESID 750 (E):       CB        29.184        29.184        29.848        -0.664
RESID 750 (E):        H         7.838         7.838         8.348        -0.510
RESID 751 (F):        N       120.177       120.177       122.949        -2.772
RESID 751 (F):       HA         5.021         5.021         4.372         0.649
RESID 751 (F):       CA        58.353        58.353        59.642        -1.290
RESID 751 (F):       CB        37.797        37.797        39.473        -1.676
RESID 751 (F):        H         8.785         8.785         8.732         0.053
RESID 752 (R):        N       120.528       120.528       120.023         0.505
RESID 752 (R):       HA         4.160         4.160         3.937         0.223
RESID 752 (R):       CA        59.704        59.704        58.367         1.337
RESID 752 (R):       CB        29.968        29.968        28.677         1.291
RESID 752 (R):        H         9.016         9.016         8.082         0.934
RESID 753 (A):        N       121.112       121.112       122.542        -1.430
RESID 753 (A):       HA         4.245         4.245         4.466        -0.221
RESID 753 (A):       CA        55.331        55.331        54.499         0.832
RESID 753 (A):       CB        17.823        17.823        17.885        -0.062
RESID 753 (A):        H         8.100         8.100         7.957         0.143
RESID 754 (S):        N       115.589       115.589       115.054         0.535
RESID 754 (S):       HA         4.452         4.452         4.203         0.249
RESID 754 (S):       CA        62.675        62.675        59.740         2.935
RESID 754 (S):       CB        63.359        63.359        62.576         0.783
RESID 754 (S):        H         8.391         8.391         7.847         0.544
RESID 755 (F):        N       121.886       121.886       119.228         2.658
RESID 755 (F):       HA         3.642         3.642         3.913        -0.271
RESID 755 (F):       CA        61.964        61.964        59.022         2.942
RESID 755 (F):       CB        39.822        39.822        38.525         1.297
RESID 755 (F):        H         8.675         8.675         7.609         1.066
RESID 756 (N):        N       113.618       113.618       114.180        -0.562
RESID 756 (N):       HA         4.427         4.427         4.185         0.242
RESID 756 (N):       CA        55.611        55.611        52.968         2.643
RESID 756 (N):       CB        37.838        37.838        39.049        -1.211
RESID 756 (N):        H         8.593         8.593         7.690         0.903
RESID 757 (H):        N       119.679       119.679       120.211        -0.532
RESID 757 (H):       HA         4.079         4.079         4.307        -0.228
RESID 757 (H):       CA        59.344        59.344        59.339         0.005
RESID 757 (H):       CB        29.889        29.889        30.228        -0.339
RESID 757 (H):        H         8.139         8.139         7.423         0.716
RESID 758 (F):        N       113.051       113.051       116.096        -3.045
RESID 758 (F):       HA         4.061         4.061         4.524        -0.463
RESID 758 (F):       CA        60.697        60.697        58.471         2.226
RESID 758 (F):       CB        38.735        38.735        40.465        -1.730
RESID 758 (F):        H         7.585         7.585         7.512         0.073
RESID 759 (D):        N       120.916       120.916       120.945        -0.029
RESID 759 (D):       HA         4.509         4.509         4.395         0.114
RESID 759 (D):       CA        52.171        52.171        54.843        -2.672
RESID 759 (D):       CB        38.009        38.009        40.332        -2.323
RESID 759 (D):        H         7.423         7.423         7.658        -0.235
RESID 760 (R):        N       124.819       124.819       127.541        -2.722
RESID 760 (R):       HA         3.768         3.768         4.024        -0.256
RESID 760 (R):       CA        58.275        58.275        58.989        -0.714
RESID 760 (R):       CB        30.249        30.249        30.634        -0.385
RESID 760 (R):        H         7.781         7.781         8.216        -0.435
RESID 761 (D):        N       113.673       113.673       113.167         0.506
RESID 761 (D):       HA         4.483         4.483         4.832        -0.349
RESID 761 (D):       CA        51.977        51.977        53.258        -1.281
RESID 761 (D):       CB        39.522        39.522        40.947        -1.425
RESID 761 (D):        H         7.821         7.821         8.161        -0.340
RESID 762 (H):        N       114.966       114.966       116.368        -1.402
RESID 762 (H):       HA         4.161         4.161         4.231        -0.070
RESID 762 (H):       CA        56.618        56.618        56.997        -0.379
RESID 762 (H):       CB        26.380        26.380        27.806        -1.426
RESID 762 (H):        H         7.744         7.744         7.821        -0.077
RESID 763 (S):        N       115.077       115.077       114.015         1.062
RESID 763 (S):       HA         4.336         4.336         4.361        -0.025
RESID 763 (S):       CA        59.860        59.860        59.791         0.069
RESID 763 (S):       CB        65.192        65.192        64.002         1.190
RESID 763 (S):        H         8.726         8.726         8.201         0.525
RESID 764 (G):        N       116.915       116.915       110.299         6.616
RESID 764 (G):       CA        45.449        45.449        45.672        -0.223
RESID 764 (G):        H        11.017        11.017         8.893         2.124
RESID 765 (T):        N       107.334       107.334       110.787        -3.453
RESID 765 (T):       HA         4.829         4.829         5.253        -0.424
RESID 765 (T):       CA        58.759        58.759        60.853        -2.094
RESID 765 (T):       CB        73.383        73.383        71.941         1.442
RESID 765 (T):        H         7.693         7.693         8.073        -0.380
RESID 766 (L):        N       124.664       124.664       124.675        -0.011
RESID 766 (L):       HA         4.900         4.900         4.821         0.079
RESID 766 (L):       CA        52.339        52.339        53.721        -1.382
RESID 766 (L):       CB        42.339        42.339        43.057        -0.718
RESID 766 (L):        H         9.209         9.209         8.823         0.386
RESID 767 (G):        N       112.024       112.024       112.019         0.005
RESID 767 (G):       CA        44.123        44.123        43.947         0.176
RESID 767 (G):        H         8.910         8.910         9.116        -0.206
RESID 768 (P):       HA         4.318         4.318         4.565        -0.247
RESID 768 (P):       CA        67.127        67.127        66.116         1.011
RESID 768 (P):       CB        32.029        32.029        31.939         0.090
RESID 769 (E):        N       115.246       115.246       116.834        -1.588
RESID 769 (E):       HA         3.971         3.971         4.056        -0.085
RESID 769 (E):       CA        59.621        59.621        58.857         0.764
RESID 769 (E):       CB        28.628        28.628        28.329         0.299
RESID 769 (E):        H         8.622         8.622         9.062        -0.440
RESID 770 (E):        N       121.127       121.127       118.390         2.737
RESID 770 (E):       HA         4.272         4.272         4.259         0.013
RESID 770 (E):       CA        58.497        58.497        58.158         0.339
RESID 770 (E):       CB        31.372        31.372        29.786         1.586
RESID 770 (E):        H         7.493         7.493         8.002        -0.509
RESID 771 (F):        N       117.688       117.688       122.010        -4.322
RESID 771 (F):       HA         4.355         4.355         4.264         0.091
RESID 771 (F):       CA        58.625        58.625        60.715        -2.090
RESID 771 (F):       CB        38.810        38.810        39.437        -0.627
RESID 771 (F):        H         9.110         9.110         8.906         0.204
RESID 772 (K):        N       119.789       119.789       118.497         1.292
RESID 772 (K):       HA         3.313         3.313         3.642        -0.329
RESID 772 (K):       CA        60.672        60.672        58.343         2.329
RESID 772 (K):       CB        31.979        31.979        30.848         1.131
RESID 772 (K):        H         8.594         8.594         7.991         0.603
RESID 773 (A):        N       118.461       118.461       120.697        -2.236
RESID 773 (A):       HA         3.881         3.881         4.058        -0.177
RESID 773 (A):       CA        55.013        55.013        53.853         1.160
RESID 773 (A):       CB        17.629        17.629        18.916        -1.287
RESID 773 (A):        H         7.231         7.231         7.544        -0.313
RESID 774 (C):        N       120.913       120.913       119.177         1.736
RESID 774 (C):       HA         2.435         2.435         2.709        -0.274
RESID 774 (C):       CA        61.174        61.174        61.667        -0.493
RESID 774 (C):       CB        26.215        26.215        26.169         0.046
RESID 774 (C):        H         7.498         7.498         7.794        -0.296
RESID 775 (L):        N       119.201       119.201       118.495         0.706
RESID 775 (L):       HA         3.766         3.766         3.516         0.250
RESID 775 (L):       CA        57.932        57.932        56.258         1.674
RESID 775 (L):       CB        40.950        40.950        40.982        -0.032
RESID 775 (L):        H         8.372         8.372         7.585         0.787
RESID 776 (I):        N       121.051       121.051       117.766         3.285
RESID 776 (I):       HA         4.090         4.090         2.470         1.620
RESID 776 (I):       CA        65.244        65.244        64.206         1.038
RESID 776 (I):       CB        37.991        37.991        37.200         0.791
RESID 776 (I):        H         8.358         8.358         6.667         1.691
RESID 777 (S):        N       119.109       119.109       114.399         4.710
RESID 777 (S):       HA         4.291         4.291         4.163         0.128
RESID 777 (S):       CA        61.725        61.725        60.222         1.503
RESID 777 (S):       CB        62.995        62.995        62.765         0.230
RESID 777 (S):        H         7.822         7.822         7.314         0.508
RESID 778 (L):        N       121.208       121.208       117.772         3.436
RESID 778 (L):       HA         4.506         4.506         4.380         0.126
RESID 778 (L):       CA        54.999        54.999        53.992         1.008
RESID 778 (L):       CB        42.670        42.670        42.471         0.199
RESID 778 (L):        H         7.671         7.671         7.109         0.562
RESID 779 (G):        N       106.232       106.232       106.604        -0.372
RESID 779 (G):       CA        45.287        45.287        44.917         0.370
RESID 779 (G):        H         7.897         7.897         7.256         0.641
RESID 780 (Y):        N       120.772       120.772       119.479         1.293
RESID 780 (Y):       HA         4.142         4.142         4.584        -0.442
RESID 780 (Y):       CA        59.231        59.231        55.258         3.973
RESID 780 (Y):       CB        38.341        38.341        38.542        -0.201
RESID 780 (Y):        H         8.072         8.072         7.449         0.623
RESID 781 (D):        N       124.304       124.304       117.791         6.513
RESID 781 (D):       HA         4.665         4.665         4.655         0.010
RESID 781 (D):       CA        53.148        53.148        53.976        -0.828
RESID 781 (D):       CB        39.804        39.804        40.592        -0.788
RESID 781 (D):        H         8.862         8.862         9.036        -0.174
RESID 782 (I):        N       122.271       122.271       113.468         8.803
RESID 782 (I):       HA         4.341         4.341         4.337         0.004
RESID 782 (I):       CA        58.992        58.992        59.115        -0.123
RESID 782 (I):       CB        37.907        37.907        40.187        -2.280
RESID 782 (I):        H         7.344         7.344         6.858         0.486
RESID 783 (G):        N       112.322       112.322       106.996         5.326
RESID 783 (G):       CA        44.523        44.523        44.186         0.337
RESID 783 (G):        H         8.122         8.122         7.772         0.349
RESID 784 (N):        N       118.727       118.727       117.929         0.798
RESID 784 (N):       HA         4.882         4.882         4.800         0.082
RESID 784 (N):       CA        52.098        52.098        52.669        -0.571
RESID 784 (N):       CB        37.424        37.424        38.913        -1.489
RESID 784 (N):        H         8.452         8.452         8.583        -0.131
RESID 785 (D):        N       119.826       119.826       119.569         0.257
RESID 785 (D):       HA         4.778         4.778         4.820        -0.042
RESID 785 (D):       CA        52.164        52.164        51.975         0.189
RESID 785 (D):       CB        39.657        39.657        40.831        -1.173
RESID 785 (D):        H         8.145         8.145         7.641         0.504
RESID 786 (P):       HA         4.271         4.271         4.420        -0.149
RESID 786 (P):       CA        66.265        66.265        64.726         1.539
RESID 786 (P):       CB        32.011        32.011        32.036        -0.025
RESID 787 (Q):        N       118.097       118.097       116.971         1.126
RESID 787 (Q):       HA         4.141         4.141         4.318        -0.177
RESID 787 (Q):       CA        59.115        59.115        57.569         1.546
RESID 787 (Q):       CB        27.732        27.732        28.672        -0.940
RESID 787 (Q):        H         8.409         8.409         8.531        -0.122
RESID 788 (G):        N       113.421       113.421       108.683         4.738
RESID 788 (G):       CA        47.317        47.317        47.036         0.281
RESID 788 (G):        H         8.644         8.644         8.873        -0.229
RESID 789 (E):        N       121.223       121.223       121.240        -0.017
RESID 789 (E):       HA         4.148         4.148         4.288        -0.140
RESID 789 (E):       CA        59.344        59.344        59.392        -0.048
RESID 789 (E):       CB        29.435        29.435        29.454        -0.019
RESID 789 (E):        H         8.514         8.514         8.334         0.180
RESID 790 (A):        N       122.879       122.879       122.657         0.222
RESID 790 (A):       HA         4.247         4.247         4.215         0.032
RESID 790 (A):       CA        54.907        54.907        55.116        -0.209
RESID 790 (A):       CB        17.780        17.780        18.454        -0.674
RESID 790 (A):        H         8.024         8.024         7.679         0.345
RESID 791 (E):        N       122.622       122.622       119.220         3.402
RESID 791 (E):       HA         4.687         4.687         4.094         0.593
RESID 791 (E):       CA        58.134        58.134        58.724        -0.590
RESID 791 (E):       CB        29.061        29.061        29.508        -0.447
RESID 791 (E):        H         8.280         8.280         8.057         0.223
RESID 792 (F):        N       119.949       119.949       120.991        -1.042
RESID 792 (F):       HA         4.038         4.038         4.252        -0.214
RESID 792 (F):       CA        61.812        61.812        60.981         0.831
RESID 792 (F):       CB        38.598        38.598        38.584         0.014
RESID 792 (F):        H         8.722         8.722         8.827        -0.105
RESID 793 (A):        N       119.652       119.652       121.730        -2.078
RESID 793 (A):       HA         3.854         3.854         3.281         0.573
RESID 793 (A):       CA        54.902        54.902        54.482         0.420
RESID 793 (A):       CB        17.628        17.628        17.834        -0.206
RESID 793 (A):        H         8.163         8.163         7.808         0.355
RESID 794 (R):        N       121.092       121.092       119.356         1.736
RESID 794 (R):       HA         3.910         3.910         3.982        -0.072
RESID 794 (R):       CA        59.471        59.471        59.197         0.274
RESID 794 (R):       CB        30.092        30.092        30.198        -0.106
RESID 794 (R):        H         8.034         8.034         7.598         0.436
RESID 795 (I):        N       121.394       121.394       120.347         1.047
RESID 795 (I):       HA         3.388         3.388         3.710        -0.322
RESID 795 (I):       CA        65.848        65.848        65.408         0.440
RESID 795 (I):       CB        38.209        38.209        38.224        -0.015
RESID 795 (I):        H         8.049         8.049         7.745         0.304
RESID 796 (M):        N       119.012       119.012       118.907         0.105
RESID 796 (M):       HA         4.155         4.155         3.967         0.188
RESID 796 (M):       CA        56.470        56.470        58.111        -1.641
RESID 796 (M):       CB        29.892        29.892        31.415        -1.523
RESID 796 (M):        H         8.589         8.589         8.335         0.254
RESID 797 (S):        N       114.132       114.132       112.313         1.819
RESID 797 (S):       HA         4.097         4.097         4.261        -0.164
RESID 797 (S):       CA        61.231        61.231        60.581         0.650
RESID 797 (S):       CB        62.895        62.895        63.752        -0.857
RESID 797 (S):        H         7.732         7.732         7.547         0.185
RESID 798 (I):        N       120.873       120.873       116.087         4.786
RESID 798 (I):       HA         3.818         3.818         4.169        -0.351
RESID 798 (I):       CA        63.875        63.875        63.092         0.783
RESID 798 (I):       CB        38.863        38.863        38.578         0.285
RESID 798 (I):        H         7.352         7.352         7.658        -0.306
RESID 799 (V):        N       110.552       110.552       113.233        -2.681
RESID 799 (V):       HA         4.243         4.243         4.077         0.166
RESID 799 (V):       CA        62.616        62.616        60.647         1.969
RESID 799 (V):       CB        32.416        32.416        30.738         1.678
RESID 799 (V):        H         7.648         7.648         7.918        -0.270
RESID 800 (D):        N       119.435       119.435       120.048        -0.613
RESID 800 (D):       HA         5.225         5.225         5.108         0.117
RESID 800 (D):       CA        51.715        51.715        50.124         1.591
RESID 800 (D):       CB        41.086        41.086        41.394        -0.308
RESID 800 (D):        H         8.074         8.074         7.451         0.623
RESID 801 (P):       HA         4.331         4.331         4.423        -0.092
RESID 801 (P):       CA        64.819        64.819        63.786         1.033
RESID 801 (P):       CB        31.689        31.689        32.039        -0.350
RESID 802 (N):        N       115.164       115.164       116.312        -1.148
RESID 802 (N):       HA         4.760         4.760         4.701         0.059
RESID 802 (N):       CA        52.998        52.998        52.742         0.256
RESID 802 (N):       CB        37.952        37.952        39.543        -1.591
RESID 802 (N):        H         8.949         8.949         7.725         1.224
RESID 803 (R):        N       117.446       117.446       116.094         1.352
RESID 803 (R):       HA         3.830         3.830         4.263        -0.433
RESID 803 (R):       CA        56.888        56.888        56.931        -0.043
RESID 803 (R):       CB        26.354        26.354        27.199        -0.845
RESID 803 (R):        H         7.958         7.958         7.937         0.021
RESID 804 (L):        N       123.307       123.307       116.588         6.719
RESID 804 (L):       HA         4.156         4.156         4.715        -0.559
RESID 804 (L):       CA        56.373        56.373        54.305         2.068
RESID 804 (L):       CB        42.930        42.930        41.684         1.246
RESID 804 (L):        H        10.591        10.591         8.177         2.414
RESID 805 (G):        N       110.516       110.516       107.507         3.009
RESID 805 (G):       CA        44.944        44.944        45.808        -0.864
RESID 805 (G):        H        11.001        11.001         8.549         2.452
RESID 806 (V):        N       109.840       109.840       114.960        -5.120
RESID 806 (V):       HA         4.571         4.571         4.430         0.141
RESID 806 (V):       CA        58.566        58.566        59.568        -1.002
RESID 806 (V):       CB        36.853        36.853        34.490         2.362
RESID 806 (V):        H         6.831         6.831         7.111        -0.280
RESID 807 (V):        N       122.184       122.184       122.096         0.088
RESID 807 (V):       HA         4.167         4.167         4.318        -0.151
RESID 807 (V):       CA        61.644        61.644        60.634         1.010
RESID 807 (V):       CB        32.383        32.383        31.888         0.495
RESID 807 (V):        H         9.007         9.007         8.806         0.201
RESID 808 (T):        N       117.391       117.391       117.646        -0.255
RESID 808 (T):       HA         4.593         4.593         4.750        -0.157
RESID 808 (T):       CA        60.615        60.615        58.499         2.116
RESID 808 (T):       CB        70.695        70.695        71.218        -0.523
RESID 808 (T):        H         7.925         7.925         7.692         0.233
RESID 809 (F):        N       122.236       122.236       119.086         3.150
RESID 809 (F):       HA         3.640         3.640         4.447        -0.807
RESID 809 (F):       CA        61.749        61.749        61.301         0.448
RESID 809 (F):       CB        38.177        38.177        37.505         0.672
RESID 809 (F):        H         9.349         9.349         8.325         1.024
RESID 810 (Q):        N       116.788       116.788       116.790        -0.002
RESID 810 (Q):       HA         3.598         3.598         4.198        -0.600
RESID 810 (Q):       CA        58.582        58.582        57.842         0.740
RESID 810 (Q):       CB        28.199        28.199        28.514        -0.315
RESID 810 (Q):        H         8.572         8.572         7.798         0.774
RESID 811 (A):        N       121.208       121.208       121.906        -0.698
RESID 811 (A):       HA         4.119         4.119         4.193        -0.074
RESID 811 (A):       CA        54.911        54.911        53.748         1.163
RESID 811 (A):       CB        19.265        19.265        18.931         0.334
RESID 811 (A):        H         7.667         7.667         7.682        -0.015
RESID 812 (F):        N       119.805       119.805       118.909         0.896
RESID 812 (F):       HA         3.980         3.980         4.371        -0.391
RESID 812 (F):       CA        61.740        61.740        62.092        -0.352
RESID 812 (F):       CB        39.670        39.670        38.738         0.932
RESID 812 (F):        H         8.400         8.400         8.310         0.090
RESID 813 (I):        N       118.098       118.098       118.649        -0.551
RESID 813 (I):       HA         3.146         3.146         3.990        -0.844
RESID 813 (I):       CA        63.299        63.299        62.516         0.783
RESID 813 (I):       CB        36.202        36.202        36.370        -0.168
RESID 813 (I):        H         8.364         8.364         7.812         0.552
RESID 814 (D):        N       123.528       123.528       120.602         2.926
RESID 814 (D):       HA         4.196         4.196         4.366        -0.170
RESID 814 (D):       CA        57.680        57.680        57.445         0.235
RESID 814 (D):       CB        40.236        40.236        40.655        -0.419
RESID 814 (D):        H         8.221         8.221         7.857         0.364
RESID 815 (F):        N       120.584       120.584       119.974         0.610
RESID 815 (F):       HA         4.129         4.129         4.446        -0.317
RESID 815 (F):       CA        61.084        61.084        60.790         0.294
RESID 815 (F):       CB        39.698        39.698        39.562         0.136
RESID 815 (F):        H         7.887         7.887         7.787         0.100
RESID 816 (M):        N       116.960       116.960       119.617        -2.657
RESID 816 (M):       HA         3.782         3.782         4.066        -0.284
RESID 816 (M):       CA        55.662        55.662        57.157        -1.495
RESID 816 (M):       CB        30.033        30.033        31.509        -1.476
RESID 816 (M):        H         8.372         8.372         8.123         0.249
RESID 817 (S):        N       114.277       114.277       112.023         2.254
RESID 817 (S):       HA         4.194         4.194         4.316        -0.122
RESID 817 (S):       CA        60.521        60.521        60.186         0.335
RESID 817 (S):       CB        63.185        63.185        63.554        -0.369
RESID 817 (S):        H         8.074         8.074         8.316        -0.242
RESID 818 (R):        N       121.493       121.493       120.832         0.661
RESID 818 (R):       HA         4.124         4.124         4.198        -0.074
RESID 818 (R):       CA        57.684        57.684        56.583         1.101
RESID 818 (R):       CB        30.315        30.315        29.066         1.250
RESID 818 (R):        H         7.288         7.288         8.136        -0.848
RESID 819 (E):        N       119.737       119.737       117.890         1.847
RESID 819 (E):       HA         4.101         4.101         4.106        -0.005
RESID 819 (E):       CA        57.066        57.066        58.567        -1.501
RESID 819 (E):       CB        30.491        30.491        29.137         1.354
RESID 819 (E):        H         8.045         8.045         7.593         0.452
RESID 820 (T):        N       112.128       112.128       111.117         1.011
RESID 820 (T):       HA         4.280         4.280         3.988         0.292
RESID 820 (T):       CA        62.055        62.055        62.603        -0.548
RESID 820 (T):       CB        69.828        69.828        68.977         0.851
RESID 820 (T):        H         7.760         7.760         7.418         0.342
RESID 821 (A):        N       126.098       126.098       123.494         2.604
RESID 821 (A):       HA         4.284         4.284         4.405        -0.121
RESID 821 (A):       CA        52.726        52.726        50.901         1.825
RESID 821 (A):       CB        19.304        19.304        20.728        -1.424
RESID 821 (A):        H         7.957         7.957         7.227         0.730
RESID 822 (D):        N       119.904       119.904       119.774         0.130
RESID 822 (D):       HA         4.613         4.613         4.618        -0.005
RESID 822 (D):       CA        54.335        54.335        55.092        -0.757
RESID 822 (D):       CB        41.032        41.032        41.625        -0.593
RESID 822 (D):        H         8.352         8.352         8.417        -0.065
RESID 823 (T):        N       114.142       114.142       114.316        -0.174
RESID 823 (T):       HA         4.278         4.278         4.627        -0.349
RESID 823 (T):       CA        62.117        62.117        60.798         1.319
RESID 823 (T):       CB        69.584        69.584        71.724        -2.140
RESID 823 (T):        H         8.079         8.079         8.312        -0.233
RESID 824 (D):        N       123.261       123.261       121.507         1.754
RESID 824 (D):       HA         4.657         4.657         4.545         0.112
RESID 824 (D):       CA        54.786        54.786        57.225        -2.439
RESID 824 (D):       CB        41.085        41.085        41.276        -0.191
RESID 824 (D):        H         8.431         8.431         8.923        -0.492
RESID 825 (T):        N       114.932       114.932       113.495         1.437
RESID 825 (T):       HA         4.161         4.161         4.114         0.047
RESID 825 (T):       CA        63.109        63.109        65.242        -2.133
RESID 825 (T):       CB        69.455        69.455        68.273         1.182
RESID 825 (T):        H         8.155         8.155         8.599        -0.444
RESID 826 (A):        N       124.961       124.961       124.381         0.580
RESID 826 (A):       HA         4.160         4.160         4.016         0.144
RESID 826 (A):       CA        54.392        54.392        54.155         0.237
RESID 826 (A):       CB        18.610        18.610        18.031         0.579
RESID 826 (A):        H         8.379         8.379         8.066         0.313
RESID 827 (D):        N       117.765       117.765       118.098        -0.333
RESID 827 (D):       HA         4.425         4.425         4.301         0.124
RESID 827 (D):       CA        56.051        56.051        57.257        -1.206
RESID 827 (D):       CB        40.559        40.559        41.046        -0.487
RESID 827 (D):        H         8.250         8.250         7.783         0.467
RESID 828 (Q):        N       120.523       120.523       118.023         2.500
RESID 828 (Q):       HA         4.091         4.091         4.081         0.010
RESID 828 (Q):       CA        57.814        57.814        58.296        -0.482
RESID 828 (Q):       CB        28.549        28.549        28.675        -0.126
RESID 828 (Q):        H         8.076         8.076         7.766         0.310
RESID 829 (V):        N       120.970       120.970       119.349         1.621
RESID 829 (V):       HA         3.525         3.525         3.799        -0.274
RESID 829 (V):       CA        65.194        65.194        64.082         1.112
RESID 829 (V):       CB        31.541        31.541        31.944        -0.403
RESID 829 (V):        H         8.051         8.051         7.281         0.770
RESID 830 (M):        N       119.572       119.572       118.525         1.047
RESID 830 (M):       HA         4.006         4.006         3.071         0.935
RESID 830 (M):       CA        57.977        57.977        58.129        -0.152
RESID 830 (M):       CB        31.995        31.995        31.906         0.089
RESID 830 (M):        H         8.110         8.110         8.196        -0.086
RESID 831 (A):        N       121.059       121.059       121.922        -0.863
RESID 831 (A):       HA         4.045         4.045         3.942         0.103
RESID 831 (A):       CA        54.501        54.501        54.348         0.153
RESID 831 (A):       CB        18.067        18.067        17.847         0.220
RESID 831 (A):        H         7.836         7.836         7.541         0.295
RESID 832 (S):        N       114.256       114.256       115.282        -1.026
RESID 832 (S):       HA         4.141         4.141         4.102         0.039
RESID 832 (S):       CA        60.845        60.845        61.210        -0.365
RESID 832 (S):       CB        62.613        62.613        62.733        -0.120
RESID 832 (S):        H         7.714         7.714         7.783        -0.069
RESID 833 (F):        N       121.847       121.847       121.465         0.382
RESID 833 (F):       HA         3.823         3.823         4.197        -0.374
RESID 833 (F):       CA        58.627        58.627        59.007        -0.380
RESID 833 (F):       CB        38.127        38.127        37.307         0.820
RESID 833 (F):        H         7.740         7.740         7.449         0.291
RESID 834 (K):        N       118.759       118.759       119.999        -1.240
RESID 834 (K):       HA         3.589         3.589         3.694        -0.105
RESID 834 (K):       CA        59.384        59.384        58.322         1.062
RESID 834 (K):       CB        32.143        32.143        31.833         0.310
RESID 834 (K):        H         7.843         7.843         7.717         0.126
RESID 835 (I):        N       118.537       118.537       119.869        -1.332
RESID 835 (I):       HA         3.736         3.736         3.789        -0.053
RESID 835 (I):       CA        63.714        63.714        64.534        -0.820
RESID 835 (I):       CB        37.825        37.825        38.080        -0.255
RESID 835 (I):        H         7.315         7.315         7.399        -0.084
RESID 836 (L):        N       121.201       121.201       119.453         1.748
RESID 836 (L):       HA         3.955         3.955         3.969        -0.014
RESID 836 (L):       CA        57.074        57.074        57.240        -0.166
RESID 836 (L):       CB        42.415        42.415        42.189         0.226
RESID 836 (L):        H         7.625         7.625         8.044        -0.419
RESID 837 (A):        N       119.184       119.184       118.318         0.866
RESID 837 (A):       HA         3.895         3.895         3.958        -0.063
RESID 837 (A):       CA        53.301        53.301        53.789        -0.488
RESID 837 (A):       CB        19.338        19.338        19.430        -0.092
RESID 837 (A):        H         8.099         8.099         7.747         0.352
RESID 838 (G):        N       107.030       107.030       106.603         0.427
RESID 838 (G):       CA        46.918        46.918        46.889         0.029
RESID 838 (G):        H         7.676         7.676         8.344        -0.668
RESID 839 (D):        N       122.291       122.291       124.577        -2.286
RESID 839 (D):       HA         4.477         4.477         4.775        -0.298
RESID 839 (D):       CA        54.511        54.511        54.220         0.291
RESID 839 (D):       CB        40.181        40.181        42.293        -2.112
RESID 839 (D):        H         8.704         8.704         8.153         0.551
RESID 840 (K):        N       117.582       117.582       121.608        -4.026
RESID 840 (K):       HA         4.301         4.301         4.389        -0.088
RESID 840 (K):       CA        55.780        55.780        56.594        -0.814
RESID 840 (K):       CB        33.710        33.710        33.019         0.691
RESID 840 (K):        H         7.583         7.583         7.401         0.182
RESID 841 (N):        N       116.678       116.678       117.421        -0.743
RESID 841 (N):       HA         4.611         4.611         4.554         0.057
RESID 841 (N):       CA        53.466        53.466        54.032        -0.566
RESID 841 (N):       CB        39.155        39.155        38.965         0.190
RESID 841 (N):        H         8.693         8.693         8.859        -0.166
RESID 842 (Y):        N       112.236       112.236       114.089        -1.853
RESID 842 (Y):       HA         4.986         4.986         4.865         0.121
RESID 842 (Y):       CA        54.918        54.918        55.901        -0.983
RESID 842 (Y):       CB        40.595        40.595        40.729        -0.134
RESID 842 (Y):        H         6.637         6.637         7.285        -0.648
RESID 843 (I):        N       115.475       115.475       120.848        -5.373
RESID 843 (I):       HA         4.792         4.792         4.686         0.106
RESID 843 (I):       CA        58.957        58.957        58.154         0.803
RESID 843 (I):       CB        43.009        43.009        42.992         0.017
RESID 843 (I):        H         8.630         8.630         9.187        -0.557
RESID 844 (T):        N       117.169       117.169       117.507        -0.338
RESID 844 (T):       HA         5.370         5.370         5.180         0.190
RESID 844 (T):       CA        60.177        60.177        60.447        -0.270
RESID 844 (T):       CB        71.088        71.088        70.947         0.141
RESID 844 (T):        H         9.330         9.330         9.064         0.266
RESID 845 (M):        N       119.860       119.860       119.999        -0.139
RESID 845 (M):       HA         3.824         3.824         4.028        -0.204
RESID 845 (M):       CA        60.321        60.321        60.313         0.008
RESID 845 (M):       CB        33.030        33.030        32.273         0.757
RESID 845 (M):        H         8.556         8.556         8.847        -0.291
RESID 846 (D):        N       116.363       116.363       119.348        -2.985
RESID 846 (D):       HA         4.280         4.280         4.386        -0.106
RESID 846 (D):       CA        57.404        57.404        57.217         0.187
RESID 846 (D):       CB        40.584        40.584        40.819        -0.235
RESID 846 (D):        H         8.377         8.377         8.525        -0.148
RESID 847 (E):        N       120.577       120.577       119.792         0.785
RESID 847 (E):       HA         3.854         3.854         4.051        -0.197
RESID 847 (E):       CA        59.657        59.657        59.450         0.207
RESID 847 (E):       CB        29.660        29.660        29.646         0.014
RESID 847 (E):        H         7.855         7.855         7.764         0.091
RESID 848 (L):        N       118.714       118.714       119.398        -0.684
RESID 848 (L):       HA         3.822         3.822         4.036        -0.214
RESID 848 (L):       CA        58.725        58.725        57.602         1.123
RESID 848 (L):       CB        42.457        42.457        41.828         0.629
RESID 848 (L):        H         7.849         7.849         7.599         0.250
RESID 849 (R):        N       113.972       113.972       115.751        -1.779
RESID 849 (R):       HA         3.924         3.924         4.380        -0.456
RESID 849 (R):       CA        58.595        58.595        57.827         0.768
RESID 849 (R):       CB        30.100        30.100        29.716         0.384
RESID 849 (R):        H         8.053         8.053         8.040         0.013
RESID 850 (R):        N       118.178       118.178       118.969        -0.791
RESID 850 (R):       HA         4.193         4.193         4.323        -0.130
RESID 850 (R):       CA        58.245        58.245        57.907         0.338
RESID 850 (R):       CB        31.120        31.120        31.239        -0.119
RESID 850 (R):        H         7.743         7.743         7.721         0.022
RESID 851 (E):        N       115.518       115.518       119.043        -3.525
RESID 851 (E):       HA         4.350         4.350         4.270         0.080
RESID 851 (E):       CA        56.886        56.886        58.248        -1.362
RESID 851 (E):       CB        31.590        31.590        30.517         1.073
RESID 851 (E):        H         7.596         7.596         7.822        -0.226
RESID 852 (L):        N       119.148       119.148       121.837        -2.689
RESID 852 (L):       HA         4.894         4.894         5.028        -0.134
RESID 852 (L):       CA        52.174        52.174        50.989         1.185
RESID 852 (L):       CB        42.469        42.469        41.228         1.241
RESID 852 (L):        H         7.890         7.890         7.965        -0.075
RESID 853 (P):       HA         4.347         4.347         4.441        -0.094
RESID 853 (P):       CA        65.119        65.119        64.117         1.002
RESID 853 (P):       CB        31.631        31.631        30.787         0.844
RESID 854 (P):       HA         4.270         4.270         4.430        -0.160
RESID 854 (P):       CA        66.336        66.336        62.060         4.276
RESID 854 (P):       CB        32.256        32.256        32.992        -0.736
RESID 855 (D):        N       114.865       114.865       118.960        -4.095
RESID 855 (D):       HA         4.349         4.349         4.365        -0.016
RESID 855 (D):       CA        56.913        56.913        56.811         0.102
RESID 855 (D):       CB        39.244        39.244        40.104        -0.860
RESID 855 (D):        H         8.801         8.801         8.587         0.214
RESID 856 (Q):        N       121.465       121.465       119.110         2.355
RESID 856 (Q):       HA         4.199         4.199         4.275        -0.076
RESID 856 (Q):       CA        58.317        58.317        59.427        -1.110
RESID 856 (Q):       CB        29.247        29.247        28.133         1.114
RESID 856 (Q):        H         7.472         7.472         8.583        -1.111
RESID 857 (A):        N       122.805       122.805       122.445         0.360
RESID 857 (A):       HA         3.799         3.799         3.939        -0.140
RESID 857 (A):       CA        56.303        56.303        56.127         0.176
RESID 857 (A):       CB        17.944        17.944        18.340        -0.396
RESID 857 (A):        H         8.882         8.882         8.173         0.709
RESID 858 (E):        N       114.094       114.094       118.987        -4.893
RESID 858 (E):       HA         4.024         4.024         3.993         0.031
RESID 858 (E):       CA        58.682        58.682        58.755        -0.073
RESID 858 (E):       CB        28.639        28.639        28.955        -0.316
RESID 858 (E):        H         8.155         8.155         7.868         0.287
RESID 859 (Y):        N       120.665       120.665       122.343        -1.678
RESID 859 (Y):       HA         4.084         4.084         4.148        -0.064
RESID 859 (Y):       CA        61.006        61.006        61.132        -0.126
RESID 859 (Y):       CB        38.687        38.687        38.190         0.498
RESID 859 (Y):        H         7.708         7.708         8.453        -0.745
RESID 860 (C):        N       115.812       115.812       117.444        -1.632
RESID 860 (C):       HA         4.158         4.158         3.376         0.782
RESID 860 (C):       CA        64.254        64.254        63.979         0.275
RESID 860 (C):       CB        27.304        27.304        26.969         0.335
RESID 860 (C):        H         8.113         8.113         7.718         0.395
RESID 861 (I):        N       120.078       120.078       121.025        -0.947
RESID 861 (I):       HA         3.339         3.339         3.581        -0.242
RESID 861 (I):       CA        65.643        65.643        65.300         0.343
RESID 861 (I):       CB        38.714        38.714        37.571         1.143
RESID 861 (I):        H         8.453         8.453         8.153         0.300
RESID 862 (A):        N       116.691       116.691       120.979        -4.288
RESID 862 (A):       HA         4.209         4.209         4.033         0.176
RESID 862 (A):       CA        53.222        53.222        54.492        -1.270
RESID 862 (A):       CB        19.002        19.002        18.355         0.647
RESID 862 (A):        H         7.307         7.307         8.257        -0.950
RESID 863 (R):        N       117.226       117.226       115.192         2.034
RESID 863 (R):       HA         4.274         4.274         4.747        -0.473
RESID 863 (R):       CA        56.051        56.051        55.151         0.900
RESID 863 (R):       CB        31.389        31.389        31.055         0.334
RESID 863 (R):        H         7.358         7.358         7.570        -0.212
RESID 864 (M):        N       117.583       117.583       118.859        -1.276
RESID 864 (M):       HA         4.561         4.561         4.521         0.040
RESID 864 (M):       CA        54.927        54.927        55.440        -0.513
RESID 864 (M):       CB        37.418        37.418        34.681         2.737
RESID 864 (M):        H         7.153         7.153         7.369        -0.216
RESID 865 (A):        N       124.643       124.643       124.424         0.219
RESID 865 (A):       HA         3.866         3.866         4.846        -0.980
RESID 865 (A):       CA        49.194        49.194        49.136         0.058
RESID 865 (A):       CB        18.647        18.647        18.682        -0.035
RESID 865 (A):        H         8.557         8.557         8.240         0.317
RESID 866 (P):       HA         4.496         4.496         4.548        -0.052
RESID 866 (P):       CA        62.724        62.724        62.822        -0.098
RESID 866 (P):       CB        31.980        31.980        30.456         1.524
RESID 867 (Y):        N       122.461       122.461       126.694        -4.233
RESID 867 (Y):       HA         4.728         4.728         4.467         0.261
RESID 867 (Y):       CA        57.096        57.096        56.225         0.871
RESID 867 (Y):       CB        39.175        39.175        37.821         1.354
RESID 867 (Y):        H         8.128         8.128         8.175        -0.047
RESID 868 (T):       HA         4.351         4.351         4.641        -0.290
RESID 868 (T):       CA        60.271        60.271        60.468        -0.197
RESID 868 (T):       CB        68.737        68.737        69.533        -0.796
RESID 869 (G):       CA        44.914        44.914        42.111         2.803
RESID 870 (P):       HA         4.329         4.329         4.396        -0.067
RESID 870 (P):       CA        64.697        64.697        63.938         0.759
RESID 870 (P):       CB        31.579        31.579        32.214        -0.635
RESID 871 (D):        N       116.207       116.207       116.871        -0.664
RESID 871 (D):       HA         4.604         4.604         4.582         0.022
RESID 871 (D):       CA        52.749        52.749        54.085        -1.336
RESID 871 (D):       CB        38.929        38.929        40.385        -1.456
RESID 871 (D):        H         9.267         9.267         8.355         0.912
RESID 872 (S):        N       112.349       112.349       115.327        -2.978
RESID 872 (S):       HA         3.497         3.497         4.577        -1.080
RESID 872 (S):       CA        59.065        59.065        57.621         1.444
RESID 872 (S):       CB        63.125        63.125        65.709        -2.584
RESID 872 (S):        H         7.487         7.487         7.389         0.098
RESID 873 (V):        N       113.567       113.567       114.315        -0.748
RESID 873 (V):       HA         4.729         4.729         4.586         0.143
RESID 873 (V):       CA        58.044        58.044        58.180        -0.136
RESID 873 (V):       CB        32.911        32.911        32.385         0.526
RESID 873 (V):        H         6.411         6.411         8.097        -1.686
RESID 874 (P):       HA         4.296         4.296         4.414        -0.118
RESID 874 (P):       CA        64.335        64.335        63.886         0.449
RESID 874 (P):       CB        31.515        31.515        31.863        -0.348
RESID 875 (G):        N       112.118       112.118       107.290         4.828
RESID 875 (G):       CA        45.557        45.557        44.312         1.245
RESID 875 (G):        H         8.800         8.800         8.149         0.651
RESID 876 (A):        N       120.262       120.262       123.971        -3.709
RESID 876 (A):       HA         4.100         4.100         5.570        -1.470
RESID 876 (A):       CA        53.073        53.073        50.230         2.843
RESID 876 (A):       CB        20.508        20.508        21.728        -1.220
RESID 876 (A):        H         7.762         7.762         7.658         0.104
RESID 877 (L):        N       125.695       125.695       120.978         4.717
RESID 877 (L):       HA         4.776         4.776         5.188        -0.412
RESID 877 (L):       CA        54.269        54.269        53.808         0.461
RESID 877 (L):       CB        44.799        44.799        47.066        -2.267
RESID 877 (L):        H         9.595         9.595         9.291         0.304
RESID 878 (D):        N       119.823       119.823       122.008        -2.185
RESID 878 (D):       HA         4.879         4.879         4.515         0.364
RESID 878 (D):       CA        51.997        51.997        52.521        -0.524
RESID 878 (D):       CB        40.781        40.781        41.329        -0.548
RESID 878 (D):        H         9.031         9.031         8.187         0.844
RESID 879 (Y):        N       126.556       126.556       124.707         1.849
RESID 879 (Y):       HA         4.591         4.591         4.228         0.363
RESID 879 (Y):       CA        59.396        59.396        59.966        -0.570
RESID 879 (Y):       CB        37.321        37.321        37.721        -0.400
RESID 879 (Y):        H         7.456         7.456         7.960        -0.504
RESID 880 (M):        N       119.958       119.958       115.163         4.795
RESID 880 (M):       HA         4.605         4.605         4.817        -0.212
RESID 880 (M):       CA        56.044        56.044        57.409        -1.365
RESID 880 (M):       CB        30.101        30.101        33.320        -3.219
RESID 880 (M):        H         7.627         7.627         7.532         0.095
RESID 881 (S):        N       114.328       114.328       115.987        -1.659
RESID 881 (S):       HA         4.471         4.471         4.629        -0.158
RESID 881 (S):       CA        58.917        58.917        57.290         1.627
RESID 881 (S):       CB        64.447        64.447        63.646         0.801
RESID 881 (S):        H         7.726         7.726         8.268        -0.542
RESID 882 (F):        N       122.735       122.735       119.512         3.223
RESID 882 (F):       HA         4.722         4.722         4.432         0.290
RESID 882 (F):       CA        59.231        59.231        57.275         1.956
RESID 882 (F):       CB        40.285        40.285        39.121         1.164
RESID 882 (F):        H         7.385         7.385         7.456        -0.071
RESID 883 (S):        N       120.156       120.156       116.416         3.740
RESID 883 (S):       HA         4.299         4.299         4.358        -0.059
RESID 883 (S):       CA        57.280        57.280        58.887        -1.607
RESID 883 (S):       CB        64.601        64.601        63.980         0.621
RESID 883 (S):        H         7.472         7.472         8.128        -0.656
RESID 884 (T):        N       110.683       110.683       114.248        -3.565
RESID 884 (T):       HA         3.966         3.966         4.178        -0.212
RESID 884 (T):       CA        63.465        63.465        62.154         1.311
RESID 884 (T):       CB        68.899        68.899        68.586         0.313
RESID 884 (T):        H         7.996         7.996         8.171        -0.175
RESID 885 (A):        N       125.456       125.456       123.053         2.403
RESID 885 (A):       HA         4.236         4.236         4.516        -0.280
RESID 885 (A):       CA        52.030        52.030        51.133         0.897
RESID 885 (A):       CB        19.225        19.225        20.795        -1.570
RESID 885 (A):        H         7.905         7.905         7.294         0.611
RESID 886 (L):        N       120.638       120.638       122.670        -2.032
RESID 886 (L):       HA         4.002         4.002         4.236        -0.234
RESID 886 (L):       CA        55.462        55.462        55.028         0.435
RESID 886 (L):       CB        42.265        42.265        42.205         0.061
RESID 886 (L):        H         8.079         8.079         8.390        -0.311
RESID 887 (Y):        N       121.526       121.526       122.954        -1.428
RESID 887 (Y):       HA         4.356         4.356         4.092         0.264
RESID 887 (Y):       CA        58.750        58.750        59.303        -0.553
RESID 887 (Y):       CB        38.569        38.569        37.318         1.251
RESID 887 (Y):        H         8.267         8.267         8.379        -0.112
RESID 888 (G):        N       112.379       112.379       108.424         3.955
RESID 888 (G):       CA        45.090        45.090        45.374        -0.284
RESID 888 (G):        H         8.087         8.087         7.760         0.327
RESID 889 (E):        N       120.255       120.255       119.942         0.313
RESID 889 (E):       HA         4.256         4.256         5.067        -0.811
RESID 889 (E):       CA        56.445        56.445        55.685         0.760
RESID 889 (E):       CB        30.393        30.393        32.131        -1.738
RESID 889 (E):        H         7.994         7.994         8.648        -0.654
RESID 890 (S):        N       116.375       116.375       116.447        -0.072
RESID 890 (S):       HA         4.415         4.415         4.731        -0.316
RESID 890 (S):       CA        58.204        58.204        58.022         0.182
RESID 890 (S):       CB        63.913        63.913        64.794        -0.881
RESID 890 (S):        H         8.329         8.329         8.466        -0.137
RESID 891 (D):        N       123.017       123.017       120.025         2.992
RESID 891 (D):       HA         4.610         4.610         4.457         0.153
RESID 891 (D):       CA        54.371        54.371        55.260        -0.889
RESID 891 (D):       CB        41.013        41.013        39.561         1.452
RESID 891 (D):        H         8.394         8.394         8.466        -0.072

                         N          HA           C          CA          CB           H
RESID 743 (I):       0.538       0.215       -----      -0.592       0.035      -0.048
RESID 744 (S):       0.497      -0.280       -----       0.432      -0.639       0.540
RESID 745 (Q):       0.239      -0.199       -----      -0.252      -0.159      -0.078
RESID 746 (E):      -0.360      -0.188       -----       1.692      -0.502       0.284
RESID 747 (Q):      -0.056      -0.336       -----      -0.523       0.379      -0.498
RESID 748 (M):       3.976      -0.248       -----      -1.056      -1.425       0.383
RESID 749 (N):      -0.580      -0.083       -----       0.258      -1.375       0.589
RESID 750 (E):       4.252       0.013       -----       1.137      -0.664      -0.510
RESID 751 (F):      -2.772       0.649       -----      -1.290      -1.676       0.053
RESID 752 (R):       0.505       0.223       -----       1.337       1.291       0.934
RESID 753 (A):      -1.430      -0.221       -----       0.832      -0.062       0.143
RESID 754 (S):       0.535       0.249       -----       2.935       0.783       0.544
RESID 755 (F):       2.658      -0.271       -----       2.942       1.297       1.066
RESID 756 (N):      -0.562       0.242       -----       2.643      -1.211       0.903
RESID 757 (H):      -0.532      -0.228       -----       0.005      -0.339       0.716
RESID 758 (F):      -3.045      -0.463       -----       2.226      -1.730       0.073
RESID 759 (D):      -0.029       0.114       -----      -2.672      -2.323      -0.235
RESID 760 (R):      -2.722      -0.256       -----      -0.714      -0.385      -0.435
RESID 761 (D):       0.506      -0.349       -----      -1.281      -1.425      -0.340
RESID 762 (H):      -1.402      -0.070       -----      -0.379      -1.426      -0.077
RESID 763 (S):       1.062      -0.025       -----       0.069       1.190       0.525
RESID 764 (G):       6.616       -----       -----      -0.223       -----       2.124
RESID 765 (T):      -3.453      -0.424       -----      -2.094       1.442      -0.380
RESID 766 (L):      -0.011       0.079       -----      -1.382      -0.718       0.386
RESID 767 (G):       0.005       -----       -----       0.176       -----      -0.206
RESID 768 (P):       -----      -0.247       -----       1.011       0.090       -----
RESID 769 (E):      -1.588      -0.085       -----       0.764       0.299      -0.440
RESID 770 (E):       2.737       0.013       -----       0.339       1.586      -0.509
RESID 771 (F):      -4.322       0.091       -----      -2.090      -0.627       0.204
RESID 772 (K):       1.292      -0.329       -----       2.329       1.131       0.603
RESID 773 (A):      -2.236      -0.177       -----       1.160      -1.287      -0.313
RESID 774 (C):       1.736      -0.274       -----      -0.493       0.046      -0.296
RESID 775 (L):       0.706       0.250       -----       1.674      -0.032       0.787
RESID 776 (I):       3.285       1.620       -----       1.038       0.791       1.691
RESID 777 (S):       4.710       0.128       -----       1.503       0.230       0.508
RESID 778 (L):       3.436       0.126       -----       1.008       0.199       0.562
RESID 779 (G):      -0.372       -----       -----       0.370       -----       0.641
RESID 780 (Y):       1.293      -0.442       -----       3.973      -0.201       0.623
RESID 781 (D):       6.513       0.010       -----      -0.828      -0.788      -0.174
RESID 782 (I):       8.803       0.004       -----      -0.123      -2.280       0.486
RESID 783 (G):       5.326       -----       -----       0.337       -----       0.349
RESID 784 (N):       0.798       0.082       -----      -0.571      -1.489      -0.131
RESID 785 (D):       0.257      -0.042       -----       0.189      -1.173       0.504
RESID 786 (P):       -----      -0.149       -----       1.539      -0.025       -----
RESID 787 (Q):       1.126      -0.177       -----       1.546      -0.940      -0.122
RESID 788 (G):       4.738       -----       -----       0.281       -----      -0.229
RESID 789 (E):      -0.017      -0.140       -----      -0.048      -0.019       0.180
RESID 790 (A):       0.222       0.032       -----      -0.209      -0.674       0.345
RESID 791 (E):       3.402       0.593       -----      -0.590      -0.447       0.223
RESID 792 (F):      -1.042      -0.214       -----       0.831       0.014      -0.105
RESID 793 (A):      -2.078       0.573       -----       0.420      -0.206       0.355
RESID 794 (R):       1.736      -0.072       -----       0.274      -0.106       0.436
RESID 795 (I):       1.047      -0.322       -----       0.440      -0.015       0.304
RESID 796 (M):       0.105       0.188       -----      -1.641      -1.523       0.254
RESID 797 (S):       1.819      -0.164       -----       0.650      -0.857       0.185
RESID 798 (I):       4.786      -0.351       -----       0.783       0.285      -0.306
RESID 799 (V):      -2.681       0.166       -----       1.969       1.678      -0.270
RESID 800 (D):      -0.613       0.117       -----       1.591      -0.308       0.623
RESID 801 (P):       -----      -0.092       -----       1.033      -0.350       -----
RESID 802 (N):      -1.148       0.059       -----       0.256      -1.591       1.224
RESID 803 (R):       1.352      -0.433       -----      -0.043      -0.845       0.021
RESID 804 (L):       6.719      -0.559       -----       2.068       1.246       2.414
RESID 805 (G):       3.009       -----       -----      -0.864       -----       2.452
RESID 806 (V):      -5.120       0.141       -----      -1.002       2.362      -0.280
RESID 807 (V):       0.088      -0.151       -----       1.010       0.495       0.201
RESID 808 (T):      -0.255      -0.157       -----       2.116      -0.523       0.233
RESID 809 (F):       3.150      -0.807       -----       0.448       0.672       1.024
RESID 810 (Q):      -0.002      -0.600       -----       0.740      -0.315       0.774
RESID 811 (A):      -0.698      -0.074       -----       1.163       0.334      -0.015
RESID 812 (F):       0.896      -0.391       -----      -0.352       0.932       0.090
RESID 813 (I):      -0.551      -0.844       -----       0.783      -0.168       0.552
RESID 814 (D):       2.926      -0.170       -----       0.235      -0.419       0.364
RESID 815 (F):       0.610      -0.317       -----       0.294       0.136       0.100
RESID 816 (M):      -2.657      -0.284       -----      -1.495      -1.476       0.249
RESID 817 (S):       2.254      -0.122       -----       0.335      -0.369      -0.242
RESID 818 (R):       0.661      -0.074       -----       1.101       1.250      -0.848
RESID 819 (E):       1.847      -0.005       -----      -1.501       1.354       0.452
RESID 820 (T):       1.011       0.292       -----      -0.548       0.851       0.342
RESID 821 (A):       2.604      -0.121       -----       1.825      -1.424       0.730
RESID 822 (D):       0.130      -0.005       -----      -0.757      -0.593      -0.065
RESID 823 (T):      -0.174      -0.349       -----       1.319      -2.140      -0.233
RESID 824 (D):       1.754       0.112       -----      -2.439      -0.191      -0.492
RESID 825 (T):       1.437       0.047       -----      -2.133       1.182      -0.444
RESID 826 (A):       0.580       0.144       -----       0.237       0.579       0.313
RESID 827 (D):      -0.333       0.124       -----      -1.206      -0.487       0.467
RESID 828 (Q):       2.500       0.010       -----      -0.482      -0.126       0.310
RESID 829 (V):       1.621      -0.274       -----       1.112      -0.403       0.770
RESID 830 (M):       1.047       0.935       -----      -0.152       0.089      -0.086
RESID 831 (A):      -0.863       0.103       -----       0.153       0.220       0.295
RESID 832 (S):      -1.026       0.039       -----      -0.365      -0.120      -0.069
RESID 833 (F):       0.382      -0.374       -----      -0.380       0.820       0.291
RESID 834 (K):      -1.240      -0.105       -----       1.062       0.310       0.126
RESID 835 (I):      -1.332      -0.053       -----      -0.820      -0.255      -0.084
RESID 836 (L):       1.748      -0.014       -----      -0.166       0.226      -0.419
RESID 837 (A):       0.866      -0.063       -----      -0.488      -0.092       0.352
RESID 838 (G):       0.427       -----       -----       0.029       -----      -0.668
RESID 839 (D):      -2.286      -0.298       -----       0.291      -2.112       0.551
RESID 840 (K):      -4.026      -0.088       -----      -0.814       0.691       0.182
RESID 841 (N):      -0.743       0.057       -----      -0.566       0.190      -0.166
RESID 842 (Y):      -1.853       0.121       -----      -0.983      -0.134      -0.648
RESID 843 (I):      -5.373       0.106       -----       0.803       0.017      -0.557
RESID 844 (T):      -0.338       0.190       -----      -0.270       0.141       0.266
RESID 845 (M):      -0.139      -0.204       -----       0.008       0.757      -0.291
RESID 846 (D):      -2.985      -0.106       -----       0.187      -0.235      -0.148
RESID 847 (E):       0.785      -0.197       -----       0.207       0.014       0.091
RESID 848 (L):      -0.684      -0.214       -----       1.123       0.629       0.250
RESID 849 (R):      -1.779      -0.456       -----       0.768       0.384       0.013
RESID 850 (R):      -0.791      -0.130       -----       0.338      -0.119       0.022
RESID 851 (E):      -3.525       0.080       -----      -1.362       1.073      -0.226
RESID 852 (L):      -2.689      -0.134       -----       1.185       1.241      -0.075
RESID 853 (P):       -----      -0.094       -----       1.002       0.844       -----
RESID 854 (P):       -----      -0.160       -----       4.276      -0.736       -----
RESID 855 (D):      -4.095      -0.016       -----       0.102      -0.860       0.214
RESID 856 (Q):       2.355      -0.076       -----      -1.110       1.114      -1.111
RESID 857 (A):       0.360      -0.140       -----       0.176      -0.396       0.709
RESID 858 (E):      -4.893       0.031       -----      -0.073      -0.316       0.287
RESID 859 (Y):      -1.678      -0.064       -----      -0.126       0.498      -0.745
RESID 860 (C):      -1.632       0.782       -----       0.275       0.335       0.395
RESID 861 (I):      -0.947      -0.242       -----       0.343       1.143       0.300
RESID 862 (A):      -4.288       0.176       -----      -1.270       0.647      -0.950
RESID 863 (R):       2.034      -0.473       -----       0.900       0.334      -0.212
RESID 864 (M):      -1.276       0.040       -----      -0.513       2.737      -0.216
RESID 865 (A):       0.219      -0.980       -----       0.058      -0.035       0.317
RESID 866 (P):       -----      -0.052       -----      -0.098       1.524       -----
RESID 867 (Y):      -4.233       0.261       -----       0.871       1.354      -0.047
RESID 868 (T):       -----      -0.290       -----      -0.197      -0.796       -----
RESID 869 (G):       -----       -----       -----       2.803       -----       -----
RESID 870 (P):       -----      -0.067       -----       0.759      -0.635       -----
RESID 871 (D):      -0.664       0.022       -----      -1.336      -1.456       0.912
RESID 872 (S):      -2.978      -1.080       -----       1.444      -2.584       0.098
RESID 873 (V):      -0.748       0.143       -----      -0.136       0.526      -1.686
RESID 874 (P):       -----      -0.118       -----       0.449      -0.348       -----
RESID 875 (G):       4.828       -----       -----       1.245       -----       0.651
RESID 876 (A):      -3.709      -1.470       -----       2.843      -1.220       0.104
RESID 877 (L):       4.717      -0.412       -----       0.461      -2.267       0.304
RESID 878 (D):      -2.185       0.364       -----      -0.524      -0.548       0.844
RESID 879 (Y):       1.849       0.363       -----      -0.570      -0.400      -0.504
RESID 880 (M):       4.795      -0.212       -----      -1.365      -3.219       0.095
RESID 881 (S):      -1.659      -0.158       -----       1.627       0.801      -0.542
RESID 882 (F):       3.223       0.290       -----       1.956       1.164      -0.071
RESID 883 (S):       3.740      -0.059       -----      -1.607       0.621      -0.656
RESID 884 (T):      -3.565      -0.212       -----       1.311       0.313      -0.175
RESID 885 (A):       2.403      -0.280       -----       0.897      -1.570       0.611
RESID 886 (L):      -2.032      -0.234       -----       0.435       0.061      -0.311
RESID 887 (Y):      -1.428       0.264       -----      -0.553       1.251      -0.112
RESID 888 (G):       3.955       -----       -----      -0.284       -----       0.327
RESID 889 (E):       0.313      -0.811       -----       0.760      -1.738      -0.654
RESID 890 (S):      -0.072      -0.316       -----       0.182      -0.881      -0.137
RESID 891 (D):       2.992       0.153       -----      -0.889       1.452      -0.072

DATA CS_STAT_INFO  N  RMS:   2.620 ppm Count: 139 Average Difference: -0.308 +/- 2.611 ppm
DATA CS_STAT_INFO  HA RMS:   0.358 ppm Count: 160 Average Difference:  0.059 +/- 0.354 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   1.230 ppm Count: 150 Average Difference: -0.262 +/- 1.206 ppm
DATA CS_STAT_INFO  CB RMS:   1.035 ppm Count: 140 Average Difference:  0.108 +/- 1.033 ppm
DATA CS_STAT_INFO  HN RMS:   0.602 ppm Count: 139 Average Difference: -0.150 +/- 0.585 ppm


############################################################################
For conformer 7:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 742 (S):       HA         4.525         4.525         4.653        -0.128
RESID 742 (S):       CA        58.148        58.148        57.971         0.177
RESID 742 (S):       CB        63.791        63.791        63.603         0.188
RESID 743 (I):        N       122.172       122.172       122.845        -0.673
RESID 743 (I):       HA         4.362         4.362         4.026         0.336
RESID 743 (I):       CA        60.421        60.421        62.196        -1.775
RESID 743 (I):       CB        39.166        39.166        38.736         0.430
RESID 743 (I):        H         8.132         8.132         8.245        -0.113
RESID 744 (S):        N       123.144       123.144       122.460         0.684
RESID 744 (S):       HA         4.449         4.449         4.689        -0.240
RESID 744 (S):       CA        57.463        57.463        57.380         0.083
RESID 744 (S):       CB        65.219        65.219        65.956        -0.737
RESID 744 (S):        H         8.848         8.848         8.241         0.607
RESID 745 (Q):        N       121.619       121.619       121.124         0.495
RESID 745 (Q):       HA         3.952         3.952         4.155        -0.203
RESID 745 (Q):       CA        58.768        58.768        58.972        -0.204
RESID 745 (Q):       CB        28.512        28.512        28.646        -0.135
RESID 745 (Q):        H         9.042         9.042         9.136        -0.094
RESID 746 (E):        N       118.648       118.648       119.385        -0.737
RESID 746 (E):       HA         4.004         4.004         4.195        -0.191
RESID 746 (E):       CA        60.223        60.223        59.099         1.125
RESID 746 (E):       CB        28.854        28.854        28.949        -0.095
RESID 746 (E):        H         8.721         8.721         8.451         0.270
RESID 747 (Q):        N       120.463       120.463       120.510        -0.047
RESID 747 (Q):       HA         3.766         3.766         4.123        -0.357
RESID 747 (Q):       CA        58.306        58.306        58.754        -0.448
RESID 747 (Q):       CB        28.948        28.948        28.611         0.337
RESID 747 (Q):        H         7.838         7.838         8.465        -0.627
RESID 748 (M):        N       119.252       119.252       115.360         3.892
RESID 748 (M):       HA         4.200         4.200         4.471        -0.271
RESID 748 (M):       CA        58.096        58.096        59.175        -1.079
RESID 748 (M):       CB        30.900        30.900        32.384        -1.484
RESID 748 (M):        H         8.473         8.473         8.061         0.412
RESID 749 (N):        N       117.740       117.740       118.246        -0.506
RESID 749 (N):       HA         4.474         4.474         4.525        -0.051
RESID 749 (N):       CA        55.795        55.795        55.536         0.259
RESID 749 (N):       CB        37.413        37.413        38.698        -1.285
RESID 749 (N):        H         8.334         8.334         7.676         0.658
RESID 750 (E):        N       122.848       122.848       118.432         4.416
RESID 750 (E):       HA         4.204         4.204         4.181         0.023
RESID 750 (E):       CA        59.341        59.341        58.109         1.232
RESID 750 (E):       CB        29.184        29.184        29.878        -0.694
RESID 750 (E):        H         7.838         7.838         8.349        -0.511
RESID 751 (F):        N       120.177       120.177       123.040        -2.863
RESID 751 (F):       HA         5.021         5.021         4.375         0.646
RESID 751 (F):       CA        58.353        58.353        59.394        -1.041
RESID 751 (F):       CB        37.797        37.797        39.403        -1.606
RESID 751 (F):        H         8.785         8.785         8.609         0.176
RESID 752 (R):        N       120.528       120.528       120.046         0.482
RESID 752 (R):       HA         4.160         4.160         3.885         0.275
RESID 752 (R):       CA        59.704        59.704        58.348         1.356
RESID 752 (R):       CB        29.968        29.968        28.664         1.304
RESID 752 (R):        H         9.016         9.016         7.996         1.020
RESID 753 (A):        N       121.112       121.112       122.570        -1.458
RESID 753 (A):       HA         4.245         4.245         4.414        -0.169
RESID 753 (A):       CA        55.331        55.331        54.495         0.836
RESID 753 (A):       CB        17.823        17.823        17.829        -0.006
RESID 753 (A):        H         8.100         8.100         7.896         0.204
RESID 754 (S):        N       115.589       115.589       115.059         0.530
RESID 754 (S):       HA         4.452         4.452         4.257         0.195
RESID 754 (S):       CA        62.675        62.675        59.932         2.743
RESID 754 (S):       CB        63.359        63.359        62.782         0.577
RESID 754 (S):        H         8.391         8.391         7.887         0.504
RESID 755 (F):        N       121.886       121.886       118.677         3.209
RESID 755 (F):       HA         3.642         3.642         3.945        -0.303
RESID 755 (F):       CA        61.964        61.964        58.836         3.128
RESID 755 (F):       CB        39.822        39.822        38.526         1.296
RESID 755 (F):        H         8.675         8.675         7.588         1.087
RESID 756 (N):        N       113.618       113.618       113.033         0.585
RESID 756 (N):       HA         4.427         4.427         4.152         0.275
RESID 756 (N):       CA        55.611        55.611        52.302         3.309
RESID 756 (N):       CB        37.838        37.838        39.013        -1.175
RESID 756 (N):        H         8.593         8.593         7.652         0.941
RESID 757 (H):        N       119.679       119.679       121.082        -1.403
RESID 757 (H):       HA         4.079         4.079         4.281        -0.202
RESID 757 (H):       CA        59.344        59.344        58.481         0.863
RESID 757 (H):       CB        29.889        29.889        30.209        -0.320
RESID 757 (H):        H         8.139         8.139         7.662         0.477
RESID 758 (F):        N       113.051       113.051       116.629        -3.578
RESID 758 (F):       HA         4.061         4.061         4.397        -0.336
RESID 758 (F):       CA        60.697        60.697        58.129         2.568
RESID 758 (F):       CB        38.735        38.735        40.398        -1.663
RESID 758 (F):        H         7.585         7.585         7.486         0.099
RESID 759 (D):        N       120.916       120.916       121.455        -0.539
RESID 759 (D):       HA         4.509         4.509         4.436         0.073
RESID 759 (D):       CA        52.171        52.171        54.913        -2.742
RESID 759 (D):       CB        38.009        38.009        40.601        -2.592
RESID 759 (D):        H         7.423         7.423         7.840        -0.417
RESID 760 (R):        N       124.819       124.819       126.594        -1.775
RESID 760 (R):       HA         3.768         3.768         4.056        -0.288
RESID 760 (R):       CA        58.275        58.275        58.716        -0.441
RESID 760 (R):       CB        30.249        30.249        30.617        -0.368
RESID 760 (R):        H         7.781         7.781         8.212        -0.431
RESID 761 (D):        N       113.673       113.673       112.764         0.909
RESID 761 (D):       HA         4.483         4.483         4.719        -0.236
RESID 761 (D):       CA        51.977        51.977        53.289        -1.312
RESID 761 (D):       CB        39.522        39.522        41.163        -1.641
RESID 761 (D):        H         7.821         7.821         7.989        -0.168
RESID 762 (H):        N       114.966       114.966       116.893        -1.927
RESID 762 (H):       HA         4.161         4.161         4.203        -0.042
RESID 762 (H):       CA        56.618        56.618        56.744        -0.126
RESID 762 (H):       CB        26.380        26.380        28.634        -2.254
RESID 762 (H):        H         7.744         7.744         7.983        -0.239
RESID 763 (S):        N       115.077       115.077       113.406         1.671
RESID 763 (S):       HA         4.336         4.336         4.350        -0.014
RESID 763 (S):       CA        59.860        59.860        59.215         0.645
RESID 763 (S):       CB        65.192        65.192        64.290         0.902
RESID 763 (S):        H         8.726         8.726         7.985         0.741
RESID 764 (G):        N       116.915       116.915       110.215         6.700
RESID 764 (G):       CA        45.449        45.449        45.651        -0.202
RESID 764 (G):        H        11.017        11.017         8.663         2.354
RESID 765 (T):        N       107.334       107.334       110.669        -3.335
RESID 765 (T):       HA         4.829         4.829         5.214        -0.385
RESID 765 (T):       CA        58.759        58.759        60.820        -2.061
RESID 765 (T):       CB        73.383        73.383        71.924         1.459
RESID 765 (T):        H         7.693         7.693         8.084        -0.391
RESID 766 (L):        N       124.664       124.664       124.778        -0.114
RESID 766 (L):       HA         4.900         4.900         4.839         0.061
RESID 766 (L):       CA        52.339        52.339        53.832        -1.493
RESID 766 (L):       CB        42.339        42.339        42.914        -0.576
RESID 766 (L):        H         9.209         9.209         8.769         0.440
RESID 767 (G):        N       112.024       112.024       112.136        -0.112
RESID 767 (G):       CA        44.123        44.123        43.936         0.187
RESID 767 (G):        H         8.910         8.910         9.101        -0.191
RESID 768 (P):       HA         4.318         4.318         4.565        -0.247
RESID 768 (P):       CA        67.127        67.127        66.063         1.064
RESID 768 (P):       CB        32.029        32.029        32.125        -0.096
RESID 769 (E):        N       115.246       115.246       117.852        -2.606
RESID 769 (E):       HA         3.971         3.971         4.144        -0.173
RESID 769 (E):       CA        59.621        59.621        58.963         0.658
RESID 769 (E):       CB        28.628        28.628        29.105        -0.477
RESID 769 (E):        H         8.622         8.622         8.999        -0.377
RESID 770 (E):        N       121.127       121.127       118.285         2.842
RESID 770 (E):       HA         4.272         4.272         4.247         0.025
RESID 770 (E):       CA        58.497        58.497        58.344         0.153
RESID 770 (E):       CB        31.372        31.372        29.898         1.474
RESID 770 (E):        H         7.493         7.493         8.003        -0.510
RESID 771 (F):        N       117.688       117.688       122.089        -4.401
RESID 771 (F):       HA         4.355         4.355         4.273         0.082
RESID 771 (F):       CA        58.625        58.625        60.681        -2.057
RESID 771 (F):       CB        38.810        38.810        39.468        -0.658
RESID 771 (F):        H         9.110         9.110         8.937         0.173
RESID 772 (K):        N       119.789       119.789       118.583         1.206
RESID 772 (K):       HA         3.313         3.313         3.676        -0.363
RESID 772 (K):       CA        60.672        60.672        58.302         2.370
RESID 772 (K):       CB        31.979        31.979        30.843         1.136
RESID 772 (K):        H         8.594         8.594         7.985         0.609
RESID 773 (A):        N       118.461       118.461       120.619        -2.158
RESID 773 (A):       HA         3.881         3.881         4.021        -0.140
RESID 773 (A):       CA        55.013        55.013        53.793         1.220
RESID 773 (A):       CB        17.629        17.629        18.978        -1.349
RESID 773 (A):        H         7.231         7.231         7.515        -0.284
RESID 774 (C):        N       120.913       120.913       119.265         1.648
RESID 774 (C):       HA         2.435         2.435         2.726        -0.291
RESID 774 (C):       CA        61.174        61.174        61.407        -0.233
RESID 774 (C):       CB        26.215        26.215        26.322        -0.107
RESID 774 (C):        H         7.498         7.498         7.781        -0.283
RESID 775 (L):        N       119.201       119.201       118.647         0.554
RESID 775 (L):       HA         3.766         3.766         3.545         0.222
RESID 775 (L):       CA        57.932        57.932        56.266         1.666
RESID 775 (L):       CB        40.950        40.950        41.018        -0.068
RESID 775 (L):        H         8.372         8.372         7.627         0.745
RESID 776 (I):        N       121.051       121.051       118.479         2.572
RESID 776 (I):       HA         4.090         4.090         2.425         1.665
RESID 776 (I):       CA        65.244        65.244        64.346         0.898
RESID 776 (I):       CB        37.991        37.991        37.175         0.817
RESID 776 (I):        H         8.358         8.358         6.721         1.637
RESID 777 (S):        N       119.109       119.109       113.896         5.213
RESID 777 (S):       HA         4.291         4.291         4.228         0.063
RESID 777 (S):       CA        61.725        61.725        60.371         1.354
RESID 777 (S):       CB        62.995        62.995        63.067        -0.072
RESID 777 (S):        H         7.822         7.822         7.374         0.448
RESID 778 (L):        N       121.208       121.208       118.064         3.144
RESID 778 (L):       HA         4.506         4.506         4.362         0.144
RESID 778 (L):       CA        54.999        54.999        53.649         1.350
RESID 778 (L):       CB        42.670        42.670        41.841         0.829
RESID 778 (L):        H         7.671         7.671         7.001         0.670
RESID 779 (G):        N       106.232       106.232       107.288        -1.056
RESID 779 (G):       CA        45.287        45.287        45.521        -0.234
RESID 779 (G):        H         7.897         7.897         7.273         0.624
RESID 780 (Y):        N       120.772       120.772       118.296         2.476
RESID 780 (Y):       HA         4.142         4.142         4.425        -0.283
RESID 780 (Y):       CA        59.231        59.231        54.796         4.435
RESID 780 (Y):       CB        38.341        38.341        38.201         0.140
RESID 780 (Y):        H         8.072         8.072         7.383         0.689
RESID 781 (D):        N       124.304       124.304       119.333         4.971
RESID 781 (D):       HA         4.665         4.665         4.626         0.039
RESID 781 (D):       CA        53.148        53.148        54.857        -1.709
RESID 781 (D):       CB        39.804        39.804        40.941        -1.137
RESID 781 (D):        H         8.862         8.862         9.208        -0.346
RESID 782 (I):        N       122.271       122.271       112.095        10.176
RESID 782 (I):       HA         4.341         4.341         4.394        -0.053
RESID 782 (I):       CA        58.992        58.992        58.755         0.237
RESID 782 (I):       CB        37.907        37.907        40.531        -2.624
RESID 782 (I):        H         7.344         7.344         6.942         0.402
RESID 783 (G):        N       112.322       112.322       105.909         6.413
RESID 783 (G):       CA        44.523        44.523        44.425         0.098
RESID 783 (G):        H         8.122         8.122         8.078         0.044
RESID 784 (N):        N       118.727       118.727       117.640         1.087
RESID 784 (N):       HA         4.882         4.882         4.611         0.271
RESID 784 (N):       CA        52.098        52.098        52.944        -0.846
RESID 784 (N):       CB        37.424        37.424        38.772        -1.348
RESID 784 (N):        H         8.452         8.452         8.646        -0.194
RESID 785 (D):        N       119.826       119.826       120.553        -0.727
RESID 785 (D):       HA         4.778         4.778         4.745         0.033
RESID 785 (D):       CA        52.164        52.164        52.056         0.108
RESID 785 (D):       CB        39.657        39.657        42.093        -2.436
RESID 785 (D):        H         8.145         8.145         7.747         0.398
RESID 786 (P):       HA         4.271         4.271         4.271         0.000
RESID 786 (P):       CA        66.265        66.265        65.087         1.178
RESID 786 (P):       CB        32.011        32.011        32.082        -0.071
RESID 787 (Q):        N       118.097       118.097       116.832         1.265
RESID 787 (Q):       HA         4.141         4.141         4.227        -0.086
RESID 787 (Q):       CA        59.115        59.115        57.939         1.176
RESID 787 (Q):       CB        27.732        27.732        28.377        -0.645
RESID 787 (Q):        H         8.409         8.409         9.046        -0.637
RESID 788 (G):        N       113.421       113.421       108.455         4.966
RESID 788 (G):       CA        47.317        47.317        46.942         0.375
RESID 788 (G):        H         8.644         8.644         7.853         0.791
RESID 789 (E):        N       121.223       121.223       121.212         0.011
RESID 789 (E):       HA         4.148         4.148         4.277        -0.129
RESID 789 (E):       CA        59.344        59.344        59.254         0.090
RESID 789 (E):       CB        29.435        29.435        29.426         0.009
RESID 789 (E):        H         8.514         8.514         8.698        -0.184
RESID 790 (A):        N       122.879       122.879       122.601         0.278
RESID 790 (A):       HA         4.247         4.247         4.215         0.032
RESID 790 (A):       CA        54.907        54.907        55.116        -0.209
RESID 790 (A):       CB        17.780        17.780        18.451        -0.671
RESID 790 (A):        H         8.024         8.024         7.652         0.372
RESID 791 (E):        N       122.622       122.622       119.086         3.536
RESID 791 (E):       HA         4.687         4.687         4.131         0.556
RESID 791 (E):       CA        58.134        58.134        58.427        -0.293
RESID 791 (E):       CB        29.061        29.061        29.455        -0.394
RESID 791 (E):        H         8.280         8.280         7.929         0.351
RESID 792 (F):        N       119.949       119.949       121.113        -1.164
RESID 792 (F):       HA         4.038         4.038         4.249        -0.211
RESID 792 (F):       CA        61.812        61.812        61.214         0.598
RESID 792 (F):       CB        38.598        38.598        38.616        -0.018
RESID 792 (F):        H         8.722         8.722         8.650         0.072
RESID 793 (A):        N       119.652       119.652       121.776        -2.124
RESID 793 (A):       HA         3.854         3.854         3.384         0.470
RESID 793 (A):       CA        54.902        54.902        54.550         0.352
RESID 793 (A):       CB        17.628        17.628        17.837        -0.208
RESID 793 (A):        H         8.163         8.163         7.754         0.409
RESID 794 (R):        N       121.092       121.092       119.442         1.650
RESID 794 (R):       HA         3.910         3.910         4.019        -0.110
RESID 794 (R):       CA        59.471        59.471        58.911         0.560
RESID 794 (R):       CB        30.092        30.092        29.871         0.221
RESID 794 (R):        H         8.034         8.034         7.804         0.230
RESID 795 (I):        N       121.394       121.394       120.357         1.037
RESID 795 (I):       HA         3.388         3.388         3.802        -0.414
RESID 795 (I):       CA        65.848        65.848        64.942         0.906
RESID 795 (I):       CB        38.209        38.209        38.300        -0.091
RESID 795 (I):        H         8.049         8.049         7.840         0.209
RESID 796 (M):        N       119.012       119.012       119.136        -0.124
RESID 796 (M):       HA         4.155         4.155         3.971         0.183
RESID 796 (M):       CA        56.470        56.470        57.974        -1.504
RESID 796 (M):       CB        29.892        29.892        31.410        -1.518
RESID 796 (M):        H         8.589         8.589         8.252         0.337
RESID 797 (S):        N       114.132       114.132       112.836         1.296
RESID 797 (S):       HA         4.097         4.097         4.214        -0.117
RESID 797 (S):       CA        61.231        61.231        60.332         0.899
RESID 797 (S):       CB        62.895        62.895        63.531        -0.636
RESID 797 (S):        H         7.732         7.732         7.714         0.018
RESID 798 (I):        N       120.873       120.873       116.170         4.703
RESID 798 (I):       HA         3.818         3.818         4.190        -0.372
RESID 798 (I):       CA        63.875        63.875        63.033         0.842
RESID 798 (I):       CB        38.863        38.863        38.713         0.150
RESID 798 (I):        H         7.352         7.352         7.753        -0.401
RESID 799 (V):        N       110.552       110.552       113.145        -2.593
RESID 799 (V):       HA         4.243         4.243         4.066         0.177
RESID 799 (V):       CA        62.616        62.616        60.771         1.845
RESID 799 (V):       CB        32.416        32.416        30.778         1.638
RESID 799 (V):        H         7.648         7.648         7.908        -0.260
RESID 800 (D):        N       119.435       119.435       119.940        -0.505
RESID 800 (D):       HA         5.225         5.225         5.100         0.125
RESID 800 (D):       CA        51.715        51.715        50.051         1.664
RESID 800 (D):       CB        41.086        41.086        41.337        -0.251
RESID 800 (D):        H         8.074         8.074         7.550         0.524
RESID 801 (P):       HA         4.331         4.331         4.395        -0.064
RESID 801 (P):       CA        64.819        64.819        63.994         0.825
RESID 801 (P):       CB        31.689        31.689        32.065        -0.376
RESID 802 (N):        N       115.164       115.164       116.449        -1.285
RESID 802 (N):       HA         4.760         4.760         4.713         0.047
RESID 802 (N):       CA        52.998        52.998        52.986         0.012
RESID 802 (N):       CB        37.952        37.952        39.235        -1.283
RESID 802 (N):        H         8.949         8.949         7.823         1.126
RESID 803 (R):        N       117.446       117.446       116.426         1.020
RESID 803 (R):       HA         3.830         3.830         4.214        -0.384
RESID 803 (R):       CA        56.888        56.888        57.061        -0.173
RESID 803 (R):       CB        26.354        26.354        27.201        -0.847
RESID 803 (R):        H         7.958         7.958         7.766         0.192
RESID 804 (L):        N       123.307       123.307       115.261         8.046
RESID 804 (L):       HA         4.156         4.156         4.695        -0.539
RESID 804 (L):       CA        56.373        56.373        54.612         1.761
RESID 804 (L):       CB        42.930        42.930        41.876         1.054
RESID 804 (L):        H        10.591        10.591         8.196         2.395
RESID 805 (G):        N       110.516       110.516       107.586         2.930
RESID 805 (G):       CA        44.944        44.944        45.811        -0.867
RESID 805 (G):        H        11.001        11.001         8.606         2.395
RESID 806 (V):        N       109.840       109.840       114.872        -5.032
RESID 806 (V):       HA         4.571         4.571         4.403         0.168
RESID 806 (V):       CA        58.566        58.566        59.590        -1.024
RESID 806 (V):       CB        36.853        36.853        34.624         2.228
RESID 806 (V):        H         6.831         6.831         7.269        -0.438
RESID 807 (V):        N       122.184       122.184       122.786        -0.602
RESID 807 (V):       HA         4.167         4.167         4.344        -0.177
RESID 807 (V):       CA        61.644        61.644        60.111         1.533
RESID 807 (V):       CB        32.383        32.383        30.983         1.400
RESID 807 (V):        H         9.007         9.007         8.787         0.220
RESID 808 (T):        N       117.391       117.391       117.053         0.338
RESID 808 (T):       HA         4.593         4.593         4.594        -0.001
RESID 808 (T):       CA        60.615        60.615        59.246         1.369
RESID 808 (T):       CB        70.695        70.695        71.015        -0.320
RESID 808 (T):        H         7.925         7.925         7.830         0.095
RESID 809 (F):        N       122.236       122.236       117.995         4.241
RESID 809 (F):       HA         3.640         3.640         4.461        -0.821
RESID 809 (F):       CA        61.749        61.749        61.612         0.137
RESID 809 (F):       CB        38.177        38.177        37.469         0.707
RESID 809 (F):        H         9.349         9.349         8.263         1.086
RESID 810 (Q):        N       116.788       116.788       117.268        -0.480
RESID 810 (Q):       HA         3.598         3.598         4.205        -0.607
RESID 810 (Q):       CA        58.582        58.582        57.800         0.782
RESID 810 (Q):       CB        28.199        28.199        28.417        -0.218
RESID 810 (Q):        H         8.572         8.572         7.886         0.686
RESID 811 (A):        N       121.208       121.208       122.133        -0.925
RESID 811 (A):       HA         4.119         4.119         4.168        -0.049
RESID 811 (A):       CA        54.911        54.911        53.824         1.087
RESID 811 (A):       CB        19.265        19.265        18.750         0.515
RESID 811 (A):        H         7.667         7.667         7.608         0.059
RESID 812 (F):        N       119.805       119.805       118.843         0.962
RESID 812 (F):       HA         3.980         3.980         4.369        -0.389
RESID 812 (F):       CA        61.740        61.740        62.100        -0.360
RESID 812 (F):       CB        39.670        39.670        38.719         0.951
RESID 812 (F):        H         8.400         8.400         8.369         0.031
RESID 813 (I):        N       118.098       118.098       118.574        -0.476
RESID 813 (I):       HA         3.146         3.146         4.033        -0.887
RESID 813 (I):       CA        63.299        63.299        62.527         0.772
RESID 813 (I):       CB        36.202        36.202        36.387        -0.185
RESID 813 (I):        H         8.364         8.364         7.809         0.555
RESID 814 (D):        N       123.528       123.528       120.438         3.090
RESID 814 (D):       HA         4.196         4.196         4.372        -0.176
RESID 814 (D):       CA        57.680        57.680        57.263         0.417
RESID 814 (D):       CB        40.236        40.236        40.815        -0.579
RESID 814 (D):        H         8.221         8.221         7.853         0.368
RESID 815 (F):        N       120.584       120.584       118.457         2.127
RESID 815 (F):       HA         4.129         4.129         4.479        -0.350
RESID 815 (F):       CA        61.084        61.084        60.602         0.481
RESID 815 (F):       CB        39.698        39.698        39.732        -0.034
RESID 815 (F):        H         7.887         7.887         7.812         0.075
RESID 816 (M):        N       116.960       116.960       119.020        -2.060
RESID 816 (M):       HA         3.782         3.782         4.094        -0.312
RESID 816 (M):       CA        55.662        55.662        56.837        -1.175
RESID 816 (M):       CB        30.033        30.033        31.971        -1.938
RESID 816 (M):        H         8.372         8.372         8.194         0.178
RESID 817 (S):        N       114.277       114.277       112.651         1.626
RESID 817 (S):       HA         4.194         4.194         4.229        -0.035
RESID 817 (S):       CA        60.521        60.521        59.920         0.601
RESID 817 (S):       CB        63.185        63.185        63.277        -0.092
RESID 817 (S):        H         8.074         8.074         8.291        -0.217
RESID 818 (R):        N       121.493       121.493       121.110         0.383
RESID 818 (R):       HA         4.124         4.124         4.186        -0.062
RESID 818 (R):       CA        57.684        57.684        56.822         0.862
RESID 818 (R):       CB        30.315        30.315        29.313         1.002
RESID 818 (R):        H         7.288         7.288         8.115        -0.827
RESID 819 (E):        N       119.737       119.737       118.227         1.510
RESID 819 (E):       HA         4.101         4.101         4.079         0.022
RESID 819 (E):       CA        57.066        57.066        58.778        -1.712
RESID 819 (E):       CB        30.491        30.491        29.058         1.433
RESID 819 (E):        H         8.045         8.045         7.627         0.418
RESID 820 (T):        N       112.128       112.128       110.307         1.821
RESID 820 (T):       HA         4.280         4.280         3.787         0.493
RESID 820 (T):       CA        62.055        62.055        62.760        -0.705
RESID 820 (T):       CB        69.828        69.828        68.654         1.174
RESID 820 (T):        H         7.760         7.760         7.425         0.335
RESID 821 (A):        N       126.098       126.098       122.401         3.697
RESID 821 (A):       HA         4.284         4.284         4.332        -0.048
RESID 821 (A):       CA        52.726        52.726        50.801         1.925
RESID 821 (A):       CB        19.304        19.304        21.177        -1.873
RESID 821 (A):        H         7.957         7.957         7.171         0.786
RESID 822 (D):        N       119.904       119.904       120.735        -0.831
RESID 822 (D):       HA         4.613         4.613         4.735        -0.122
RESID 822 (D):       CA        54.335        54.335        54.608        -0.273
RESID 822 (D):       CB        41.032        41.032        41.784        -0.752
RESID 822 (D):        H         8.352         8.352         8.407        -0.055
RESID 823 (T):        N       114.142       114.142       115.744        -1.602
RESID 823 (T):       HA         4.278         4.278         4.648        -0.370
RESID 823 (T):       CA        62.117        62.117        60.361         1.756
RESID 823 (T):       CB        69.584        69.584        71.594        -2.010
RESID 823 (T):        H         8.079         8.079         8.302        -0.223
RESID 824 (D):        N       123.261       123.261       121.073         2.188
RESID 824 (D):       HA         4.657         4.657         4.525         0.132
RESID 824 (D):       CA        54.786        54.786        56.598        -1.812
RESID 824 (D):       CB        41.085        41.085        40.559         0.526
RESID 824 (D):        H         8.431         8.431         8.909        -0.478
RESID 825 (T):        N       114.932       114.932       113.801         1.131
RESID 825 (T):       HA         4.161         4.161         4.217        -0.056
RESID 825 (T):       CA        63.109        63.109        64.786        -1.677
RESID 825 (T):       CB        69.455        69.455        68.545         0.910
RESID 825 (T):        H         8.155         8.155         8.514        -0.359
RESID 826 (A):        N       124.961       124.961       124.376         0.585
RESID 826 (A):       HA         4.160         4.160         4.159         0.001
RESID 826 (A):       CA        54.392        54.392        54.003         0.389
RESID 826 (A):       CB        18.610        18.610        17.967         0.643
RESID 826 (A):        H         8.379         8.379         8.111         0.268
RESID 827 (D):        N       117.765       117.765       118.042        -0.277
RESID 827 (D):       HA         4.425         4.425         4.326         0.099
RESID 827 (D):       CA        56.051        56.051        57.031        -0.980
RESID 827 (D):       CB        40.559        40.559        41.008        -0.449
RESID 827 (D):        H         8.250         8.250         7.817         0.433
RESID 828 (Q):        N       120.523       120.523       117.661         2.862
RESID 828 (Q):       HA         4.091         4.091         4.067         0.024
RESID 828 (Q):       CA        57.814        57.814        57.999        -0.185
RESID 828 (Q):       CB        28.549        28.549        28.780        -0.232
RESID 828 (Q):        H         8.076         8.076         7.599         0.477
RESID 829 (V):        N       120.970       120.970       118.862         2.108
RESID 829 (V):       HA         3.525         3.525         3.880        -0.355
RESID 829 (V):       CA        65.194        65.194        64.518         0.676
RESID 829 (V):       CB        31.541        31.541        32.154        -0.613
RESID 829 (V):        H         8.051         8.051         7.265         0.786
RESID 830 (M):        N       119.572       119.572       119.493         0.079
RESID 830 (M):       HA         4.006         4.006         4.320        -0.314
RESID 830 (M):       CA        57.977        57.977        54.401         3.576
RESID 830 (M):       CB        31.995        31.995        31.487         0.508
RESID 830 (M):        H         8.110         8.110         8.462        -0.352
RESID 831 (A):        N       121.059       121.059       121.905        -0.846
RESID 831 (A):       HA         4.045         4.045         3.357         0.688
RESID 831 (A):       CA        54.501        54.501        54.186         0.315
RESID 831 (A):       CB        18.067        18.067        17.381         0.686
RESID 831 (A):        H         7.836         7.836         7.673         0.163
RESID 832 (S):        N       114.256       114.256       115.643        -1.387
RESID 832 (S):       HA         4.141         4.141         3.976         0.165
RESID 832 (S):       CA        60.845        60.845        61.160        -0.315
RESID 832 (S):       CB        62.613        62.613        62.783        -0.170
RESID 832 (S):        H         7.714         7.714         7.347         0.367
RESID 833 (F):        N       121.847       121.847       119.261         2.586
RESID 833 (F):       HA         3.823         3.823         4.267        -0.444
RESID 833 (F):       CA        58.627        58.627        57.800         0.827
RESID 833 (F):       CB        38.127        38.127        37.464         0.663
RESID 833 (F):        H         7.740         7.740         7.543         0.197
RESID 834 (K):        N       118.759       118.759       120.951        -2.192
RESID 834 (K):       HA         3.589         3.589         3.787        -0.198
RESID 834 (K):       CA        59.384        59.384        58.491         0.893
RESID 834 (K):       CB        32.143        32.143        32.130         0.013
RESID 834 (K):        H         7.843         7.843         7.970        -0.127
RESID 835 (I):        N       118.537       118.537       120.140        -1.603
RESID 835 (I):       HA         3.736         3.736         3.715         0.021
RESID 835 (I):       CA        63.714        63.714        64.722        -1.008
RESID 835 (I):       CB        37.825        37.825        37.966        -0.141
RESID 835 (I):        H         7.315         7.315         7.161         0.154
RESID 836 (L):        N       121.201       121.201       118.541         2.660
RESID 836 (L):       HA         3.955         3.955         3.847         0.108
RESID 836 (L):       CA        57.074        57.074        56.959         0.115
RESID 836 (L):       CB        42.415        42.415        42.034         0.381
RESID 836 (L):        H         7.625         7.625         8.053        -0.428
RESID 837 (A):        N       119.184       119.184       118.609         0.575
RESID 837 (A):       HA         3.895         3.895         3.941        -0.046
RESID 837 (A):       CA        53.301        53.301        53.772        -0.471
RESID 837 (A):       CB        19.338        19.338        19.143         0.195
RESID 837 (A):        H         8.099         8.099         7.424         0.675
RESID 838 (G):        N       107.030       107.030       106.686         0.344
RESID 838 (G):       CA        46.918        46.918        46.764         0.153
RESID 838 (G):        H         7.676         7.676         8.389        -0.713
RESID 839 (D):        N       122.291       122.291       124.415        -2.124
RESID 839 (D):       HA         4.477         4.477         4.914        -0.437
RESID 839 (D):       CA        54.511        54.511        53.807         0.704
RESID 839 (D):       CB        40.181        40.181        42.020        -1.839
RESID 839 (D):        H         8.704         8.704         8.080         0.624
RESID 840 (K):        N       117.582       117.582       120.904        -3.322
RESID 840 (K):       HA         4.301         4.301         4.504        -0.203
RESID 840 (K):       CA        55.780        55.780        55.940        -0.160
RESID 840 (K):       CB        33.710        33.710        33.468         0.242
RESID 840 (K):        H         7.583         7.583         7.421         0.162
RESID 841 (N):        N       116.678       116.678       117.602        -0.924
RESID 841 (N):       HA         4.611         4.611         4.615        -0.004
RESID 841 (N):       CA        53.466        53.466        53.900        -0.434
RESID 841 (N):       CB        39.155        39.155        39.028         0.127
RESID 841 (N):        H         8.693         8.693         8.903        -0.210
RESID 842 (Y):        N       112.236       112.236       114.167        -1.931
RESID 842 (Y):       HA         4.986         4.986         4.918         0.068
RESID 842 (Y):       CA        54.918        54.918        56.159        -1.241
RESID 842 (Y):       CB        40.595        40.595        40.639        -0.044
RESID 842 (Y):        H         6.637         6.637         7.292        -0.655
RESID 843 (I):        N       115.475       115.475       121.738        -6.263
RESID 843 (I):       HA         4.792         4.792         4.593         0.199
RESID 843 (I):       CA        58.957        58.957        58.350         0.607
RESID 843 (I):       CB        43.009        43.009        42.848         0.161
RESID 843 (I):        H         8.630         8.630         9.314        -0.684
RESID 844 (T):        N       117.169       117.169       118.075        -0.906
RESID 844 (T):       HA         5.370         5.370         5.262         0.108
RESID 844 (T):       CA        60.177        60.177        60.630        -0.453
RESID 844 (T):       CB        71.088        71.088        70.721         0.367
RESID 844 (T):        H         9.330         9.330         9.350        -0.019
RESID 845 (M):        N       119.860       119.860       120.688        -0.828
RESID 845 (M):       HA         3.824         3.824         4.052        -0.228
RESID 845 (M):       CA        60.321        60.321        60.363        -0.042
RESID 845 (M):       CB        33.030        33.030        32.270         0.760
RESID 845 (M):        H         8.556         8.556         8.744        -0.188
RESID 846 (D):        N       116.363       116.363       118.516        -2.153
RESID 846 (D):       HA         4.280         4.280         4.387        -0.107
RESID 846 (D):       CA        57.404        57.404        57.278         0.126
RESID 846 (D):       CB        40.584        40.584        40.720        -0.136
RESID 846 (D):        H         8.377         8.377         8.698        -0.321
RESID 847 (E):        N       120.577       120.577       119.543         1.034
RESID 847 (E):       HA         3.854         3.854         4.069        -0.215
RESID 847 (E):       CA        59.657        59.657        59.047         0.610
RESID 847 (E):       CB        29.660        29.660        29.707        -0.047
RESID 847 (E):        H         7.855         7.855         7.577         0.278
RESID 848 (L):        N       118.714       118.714       119.281        -0.567
RESID 848 (L):       HA         3.822         3.822         4.097        -0.275
RESID 848 (L):       CA        58.725        58.725        57.587         1.138
RESID 848 (L):       CB        42.457        42.457        42.160         0.297
RESID 848 (L):        H         7.849         7.849         7.481         0.368
RESID 849 (R):        N       113.972       113.972       114.634        -0.662
RESID 849 (R):       HA         3.924         3.924         4.257        -0.333
RESID 849 (R):       CA        58.595        58.595        56.937         1.658
RESID 849 (R):       CB        30.100        30.100        29.229         0.871
RESID 849 (R):        H         8.053         8.053         7.809         0.244
RESID 850 (R):        N       118.178       118.178       118.428        -0.250
RESID 850 (R):       HA         4.193         4.193         4.412        -0.219
RESID 850 (R):       CA        58.245        58.245        57.228         1.017
RESID 850 (R):       CB        31.120        31.120        31.922        -0.802
RESID 850 (R):        H         7.743         7.743         7.927        -0.184
RESID 851 (E):        N       115.518       115.518       119.167        -3.649
RESID 851 (E):       HA         4.350         4.350         4.370        -0.020
RESID 851 (E):       CA        56.886        56.886        57.193        -0.307
RESID 851 (E):       CB        31.590        31.590        31.249         0.341
RESID 851 (E):        H         7.596         7.596         7.794        -0.198
RESID 852 (L):        N       119.148       119.148       121.449        -2.301
RESID 852 (L):       HA         4.894         4.894         5.087        -0.193
RESID 852 (L):       CA        52.174        52.174        51.792         0.382
RESID 852 (L):       CB        42.469        42.469        41.581         0.888
RESID 852 (L):        H         7.890         7.890         7.766         0.124
RESID 853 (P):       HA         4.347         4.347         4.385        -0.038
RESID 853 (P):       CA        65.119        65.119        64.132         0.987
RESID 853 (P):       CB        31.631        31.631        30.319         1.312
RESID 854 (P):       HA         4.270         4.270         4.455        -0.185
RESID 854 (P):       CA        66.336        66.336        62.002         4.334
RESID 854 (P):       CB        32.256        32.256        32.920        -0.665
RESID 855 (D):        N       114.865       114.865       119.207        -4.342
RESID 855 (D):       HA         4.349         4.349         4.356        -0.007
RESID 855 (D):       CA        56.913        56.913        57.582        -0.669
RESID 855 (D):       CB        39.244        39.244        40.589        -1.345
RESID 855 (D):        H         8.801         8.801         8.286         0.515
RESID 856 (Q):        N       121.465       121.465       118.792         2.673
RESID 856 (Q):       HA         4.199         4.199         4.291        -0.092
RESID 856 (Q):       CA        58.317        58.317        59.384        -1.067
RESID 856 (Q):       CB        29.247        29.247        28.222         1.025
RESID 856 (Q):        H         7.472         7.472         8.445        -0.973
RESID 857 (A):        N       122.805       122.805       121.864         0.941
RESID 857 (A):       HA         3.799         3.799         4.004        -0.205
RESID 857 (A):       CA        56.303        56.303        55.693         0.610
RESID 857 (A):       CB        17.944        17.944        18.178        -0.234
RESID 857 (A):        H         8.882         8.882         8.130         0.752
RESID 858 (E):        N       114.094       114.094       118.800        -4.706
RESID 858 (E):       HA         4.024         4.024         4.019         0.005
RESID 858 (E):       CA        58.682        58.682        58.612         0.070
RESID 858 (E):       CB        28.639        28.639        29.067        -0.428
RESID 858 (E):        H         8.155         8.155         7.855         0.300
RESID 859 (Y):        N       120.665       120.665       122.181        -1.516
RESID 859 (Y):       HA         4.084         4.084         4.110        -0.026
RESID 859 (Y):       CA        61.006        61.006        60.941         0.065
RESID 859 (Y):       CB        38.687        38.687        38.170         0.517
RESID 859 (Y):        H         7.708         7.708         8.369        -0.661
RESID 860 (C):        N       115.812       115.812       116.727        -0.915
RESID 860 (C):       HA         4.158         4.158         3.333         0.825
RESID 860 (C):       CA        64.254        64.254        64.267        -0.013
RESID 860 (C):       CB        27.304        27.304        27.110         0.194
RESID 860 (C):        H         8.113         8.113         7.889         0.224
RESID 861 (I):        N       120.078       120.078       120.011         0.067
RESID 861 (I):       HA         3.339         3.339         3.663        -0.324
RESID 861 (I):       CA        65.643        65.643        65.246         0.397
RESID 861 (I):       CB        38.714        38.714        37.676         1.038
RESID 861 (I):        H         8.453         8.453         7.830         0.623
RESID 862 (A):        N       116.691       116.691       120.809        -4.118
RESID 862 (A):       HA         4.209         4.209         4.070         0.139
RESID 862 (A):       CA        53.222        53.222        54.513        -1.291
RESID 862 (A):       CB        19.002        19.002        18.611         0.391
RESID 862 (A):        H         7.307         7.307         8.138        -0.831
RESID 863 (R):        N       117.226       117.226       115.993         1.233
RESID 863 (R):       HA         4.274         4.274         4.645        -0.371
RESID 863 (R):       CA        56.051        56.051        55.543         0.508
RESID 863 (R):       CB        31.389        31.389        31.308         0.081
RESID 863 (R):        H         7.358         7.358         7.490        -0.132
RESID 864 (M):        N       117.583       117.583       119.126        -1.543
RESID 864 (M):       HA         4.561         4.561         4.399         0.162
RESID 864 (M):       CA        54.927        54.927        55.703        -0.776
RESID 864 (M):       CB        37.418        37.418        34.212         3.206
RESID 864 (M):        H         7.153         7.153         7.382        -0.229
RESID 865 (A):        N       124.643       124.643       125.867        -1.224
RESID 865 (A):       HA         3.866         3.866         4.576        -0.710
RESID 865 (A):       CA        49.194        49.194        49.617        -0.423
RESID 865 (A):       CB        18.647        18.647        18.306         0.341
RESID 865 (A):        H         8.557         8.557         8.098         0.459
RESID 866 (P):       HA         4.496         4.496         4.477         0.019
RESID 866 (P):       CA        62.724        62.724        62.903        -0.179
RESID 866 (P):       CB        31.980        31.980        30.484         1.496
RESID 867 (Y):        N       122.461       122.461       125.931        -3.470
RESID 867 (Y):       HA         4.728         4.728         4.455         0.273
RESID 867 (Y):       CA        57.096        57.096        55.633         1.462
RESID 867 (Y):       CB        39.175        39.175        37.354         1.821
RESID 867 (Y):        H         8.128         8.128         8.134        -0.006
RESID 868 (T):       HA         4.351         4.351         4.652        -0.301
RESID 868 (T):       CA        60.271        60.271        60.531        -0.260
RESID 868 (T):       CB        68.737        68.737        69.618        -0.881
RESID 869 (G):       CA        44.914        44.914        42.265         2.649
RESID 870 (P):       HA         4.329         4.329         4.383        -0.054
RESID 870 (P):       CA        64.697        64.697        64.049         0.648
RESID 870 (P):       CB        31.579        31.579        32.181        -0.602
RESID 871 (D):        N       116.207       116.207       115.740         0.467
RESID 871 (D):       HA         4.604         4.604         4.599         0.005
RESID 871 (D):       CA        52.749        52.749        53.963        -1.214
RESID 871 (D):       CB        38.929        38.929        40.540        -1.611
RESID 871 (D):        H         9.267         9.267         8.503         0.764
RESID 872 (S):        N       112.349       112.349       115.508        -3.159
RESID 872 (S):       HA         3.497         3.497         4.479        -0.982
RESID 872 (S):       CA        59.065        59.065        57.666         1.399
RESID 872 (S):       CB        63.125        63.125        65.484        -2.359
RESID 872 (S):        H         7.487         7.487         7.455         0.032
RESID 873 (V):        N       113.567       113.567       115.784        -2.217
RESID 873 (V):       HA         4.729         4.729         4.553         0.176
RESID 873 (V):       CA        58.044        58.044        58.351        -0.307
RESID 873 (V):       CB        32.911        32.911        31.321         1.590
RESID 873 (V):        H         6.411         6.411         8.104        -1.693
RESID 874 (P):       HA         4.296         4.296         4.526        -0.230
RESID 874 (P):       CA        64.335        64.335        63.349         0.987
RESID 874 (P):       CB        31.515        31.515        30.161         1.354
RESID 875 (G):        N       112.118       112.118       107.671         4.447
RESID 875 (G):       CA        45.557        45.557        45.638        -0.081
RESID 875 (G):        H         8.800         8.800         8.030         0.770
RESID 876 (A):        N       120.262       120.262       123.847        -3.585
RESID 876 (A):       HA         4.100         4.100         5.627        -1.527
RESID 876 (A):       CA        53.073        53.073        50.179         2.894
RESID 876 (A):       CB        20.508        20.508        21.683        -1.175
RESID 876 (A):        H         7.762         7.762         7.641         0.121
RESID 877 (L):        N       125.695       125.695       121.355         4.340
RESID 877 (L):       HA         4.776         4.776         5.114        -0.338
RESID 877 (L):       CA        54.269        54.269        53.709         0.560
RESID 877 (L):       CB        44.799        44.799        46.955        -2.156
RESID 877 (L):        H         9.595         9.595         9.345         0.250
RESID 878 (D):        N       119.823       119.823       122.132        -2.309
RESID 878 (D):       HA         4.879         4.879         4.562         0.317
RESID 878 (D):       CA        51.997        51.997        52.802        -0.805
RESID 878 (D):       CB        40.781        40.781        41.453        -0.672
RESID 878 (D):        H         9.031         9.031         7.793         1.238
RESID 879 (Y):        N       126.556       126.556       124.294         2.262
RESID 879 (Y):       HA         4.591         4.591         3.834         0.757
RESID 879 (Y):       CA        59.396        59.396        59.705        -0.309
RESID 879 (Y):       CB        37.321        37.321        37.362        -0.041
RESID 879 (Y):        H         7.456         7.456         7.933        -0.477
RESID 880 (M):        N       119.958       119.958       113.346         6.612
RESID 880 (M):       HA         4.605         4.605         4.660        -0.055
RESID 880 (M):       CA        56.044        56.044        56.957        -0.913
RESID 880 (M):       CB        30.101        30.101        33.082        -2.981
RESID 880 (M):        H         7.627         7.627         7.207         0.420
RESID 881 (S):        N       114.328       114.328       115.812        -1.484
RESID 881 (S):       HA         4.471         4.471         4.578        -0.107
RESID 881 (S):       CA        58.917        58.917        57.310         1.607
RESID 881 (S):       CB        64.447        64.447        63.597         0.850
RESID 881 (S):        H         7.726         7.726         8.076        -0.350
RESID 882 (F):        N       122.735       122.735       119.837         2.898
RESID 882 (F):       HA         4.722         4.722         4.327         0.395
RESID 882 (F):       CA        59.231        59.231        57.281         1.950
RESID 882 (F):       CB        40.285        40.285        38.946         1.339
RESID 882 (F):        H         7.385         7.385         7.305         0.080
RESID 883 (S):        N       120.156       120.156       117.438         2.718
RESID 883 (S):       HA         4.299         4.299         4.385        -0.086
RESID 883 (S):       CA        57.280        57.280        58.430        -1.150
RESID 883 (S):       CB        64.601        64.601        64.098         0.503
RESID 883 (S):        H         7.472         7.472         8.185        -0.713
RESID 884 (T):        N       110.683       110.683       114.354        -3.671
RESID 884 (T):       HA         3.966         3.966         4.248        -0.282
RESID 884 (T):       CA        63.465        63.465        62.920         0.545
RESID 884 (T):       CB        68.899        68.899        69.151        -0.252
RESID 884 (T):        H         7.996         7.996         8.304        -0.308
RESID 885 (A):        N       125.456       125.456       124.687         0.769
RESID 885 (A):       HA         4.236         4.236         4.523        -0.287
RESID 885 (A):       CA        52.030        52.030        51.143         0.887
RESID 885 (A):       CB        19.225        19.225        20.405        -1.180
RESID 885 (A):        H         7.905         7.905         7.576         0.329
RESID 886 (L):        N       120.638       120.638       120.957        -0.319
RESID 886 (L):       HA         4.002         4.002         4.457        -0.455
RESID 886 (L):       CA        55.462        55.462        54.343         1.119
RESID 886 (L):       CB        42.265        42.265        43.219        -0.954
RESID 886 (L):        H         8.079         8.079         8.432        -0.353
RESID 887 (Y):        N       121.526       121.526       120.204         1.322
RESID 887 (Y):       HA         4.356         4.356         4.393        -0.037
RESID 887 (Y):       CA        58.750        58.750        58.450         0.300
RESID 887 (Y):       CB        38.569        38.569        36.603         1.966
RESID 887 (Y):        H         8.267         8.267         8.860        -0.593
RESID 888 (G):        N       112.379       112.379       106.831         5.548
RESID 888 (G):       CA        45.090        45.090        44.639         0.451
RESID 888 (G):        H         8.087         8.087         7.863         0.224
RESID 889 (E):        N       120.255       120.255       120.774        -0.519
RESID 889 (E):       HA         4.256         4.256         4.146         0.110
RESID 889 (E):       CA        56.445        56.445        57.139        -0.694
RESID 889 (E):       CB        30.393        30.393        29.523         0.870
RESID 889 (E):        H         7.994         7.994         8.015        -0.021
RESID 890 (S):        N       116.375       116.375       112.313         4.062
RESID 890 (S):       HA         4.415         4.415         4.229         0.186
RESID 890 (S):       CA        58.204        58.204        58.626        -0.422
RESID 890 (S):       CB        63.913        63.913        62.897         1.016
RESID 890 (S):        H         8.329         8.329         8.396        -0.067
RESID 891 (D):        N       123.017       123.017       120.712         2.305
RESID 891 (D):       HA         4.610         4.610         4.761        -0.151
RESID 891 (D):       CA        54.371        54.371        53.841         0.530
RESID 891 (D):       CB        41.013        41.013        39.974         1.039
RESID 891 (D):        H         8.394         8.394         8.523        -0.129

                         N          HA           C          CA          CB           H
RESID 743 (I):      -0.673       0.336       -----      -1.775       0.430      -0.113
RESID 744 (S):       0.684      -0.240       -----       0.083      -0.737       0.607
RESID 745 (Q):       0.495      -0.203       -----      -0.204      -0.135      -0.094
RESID 746 (E):      -0.737      -0.191       -----       1.125      -0.095       0.270
RESID 747 (Q):      -0.047      -0.357       -----      -0.448       0.337      -0.627
RESID 748 (M):       3.892      -0.271       -----      -1.079      -1.484       0.412
RESID 749 (N):      -0.506      -0.051       -----       0.259      -1.285       0.658
RESID 750 (E):       4.416       0.023       -----       1.232      -0.694      -0.511
RESID 751 (F):      -2.863       0.646       -----      -1.041      -1.606       0.176
RESID 752 (R):       0.482       0.275       -----       1.356       1.304       1.020
RESID 753 (A):      -1.458      -0.169       -----       0.836      -0.006       0.204
RESID 754 (S):       0.530       0.195       -----       2.743       0.577       0.504
RESID 755 (F):       3.209      -0.303       -----       3.128       1.296       1.087
RESID 756 (N):       0.585       0.275       -----       3.309      -1.175       0.941
RESID 757 (H):      -1.403      -0.202       -----       0.863      -0.320       0.477
RESID 758 (F):      -3.578      -0.336       -----       2.568      -1.663       0.099
RESID 759 (D):      -0.539       0.073       -----      -2.742      -2.592      -0.417
RESID 760 (R):      -1.775      -0.288       -----      -0.441      -0.368      -0.431
RESID 761 (D):       0.909      -0.236       -----      -1.312      -1.641      -0.168
RESID 762 (H):      -1.927      -0.042       -----      -0.126      -2.254      -0.239
RESID 763 (S):       1.671      -0.014       -----       0.645       0.902       0.741
RESID 764 (G):       6.700       -----       -----      -0.202       -----       2.354
RESID 765 (T):      -3.335      -0.385       -----      -2.061       1.459      -0.391
RESID 766 (L):      -0.114       0.061       -----      -1.493      -0.576       0.440
RESID 767 (G):      -0.112       -----       -----       0.187       -----      -0.191
RESID 768 (P):       -----      -0.247       -----       1.064      -0.096       -----
RESID 769 (E):      -2.606      -0.173       -----       0.658      -0.477      -0.377
RESID 770 (E):       2.842       0.025       -----       0.153       1.474      -0.510
RESID 771 (F):      -4.401       0.082       -----      -2.057      -0.658       0.173
RESID 772 (K):       1.206      -0.363       -----       2.370       1.136       0.609
RESID 773 (A):      -2.158      -0.140       -----       1.220      -1.349      -0.284
RESID 774 (C):       1.648      -0.291       -----      -0.233      -0.107      -0.283
RESID 775 (L):       0.554       0.222       -----       1.666      -0.068       0.745
RESID 776 (I):       2.572       1.665       -----       0.898       0.817       1.637
RESID 777 (S):       5.213       0.063       -----       1.354      -0.072       0.448
RESID 778 (L):       3.144       0.144       -----       1.350       0.829       0.670
RESID 779 (G):      -1.056       -----       -----      -0.234       -----       0.624
RESID 780 (Y):       2.476      -0.283       -----       4.435       0.140       0.689
RESID 781 (D):       4.971       0.039       -----      -1.709      -1.137      -0.346
RESID 782 (I):      10.176      -0.053       -----       0.237      -2.624       0.402
RESID 783 (G):       6.413       -----       -----       0.098       -----       0.044
RESID 784 (N):       1.087       0.271       -----      -0.846      -1.348      -0.194
RESID 785 (D):      -0.727       0.033       -----       0.108      -2.436       0.398
RESID 786 (P):       -----       0.000       -----       1.178      -0.071       -----
RESID 787 (Q):       1.265      -0.086       -----       1.176      -0.645      -0.637
RESID 788 (G):       4.966       -----       -----       0.375       -----       0.791
RESID 789 (E):       0.011      -0.129       -----       0.090       0.009      -0.184
RESID 790 (A):       0.278       0.032       -----      -0.209      -0.671       0.372
RESID 791 (E):       3.536       0.556       -----      -0.293      -0.394       0.351
RESID 792 (F):      -1.164      -0.211       -----       0.598      -0.018       0.072
RESID 793 (A):      -2.124       0.470       -----       0.352      -0.208       0.409
RESID 794 (R):       1.650      -0.110       -----       0.560       0.221       0.230
RESID 795 (I):       1.037      -0.414       -----       0.906      -0.091       0.209
RESID 796 (M):      -0.124       0.183       -----      -1.504      -1.518       0.337
RESID 797 (S):       1.296      -0.117       -----       0.899      -0.636       0.018
RESID 798 (I):       4.703      -0.372       -----       0.842       0.150      -0.401
RESID 799 (V):      -2.593       0.177       -----       1.845       1.638      -0.260
RESID 800 (D):      -0.505       0.125       -----       1.664      -0.251       0.524
RESID 801 (P):       -----      -0.064       -----       0.825      -0.376       -----
RESID 802 (N):      -1.285       0.047       -----       0.012      -1.283       1.126
RESID 803 (R):       1.020      -0.384       -----      -0.173      -0.847       0.192
RESID 804 (L):       8.046      -0.539       -----       1.761       1.054       2.395
RESID 805 (G):       2.930       -----       -----      -0.867       -----       2.395
RESID 806 (V):      -5.032       0.168       -----      -1.024       2.228      -0.438
RESID 807 (V):      -0.602      -0.177       -----       1.533       1.400       0.220
RESID 808 (T):       0.338      -0.001       -----       1.369      -0.320       0.095
RESID 809 (F):       4.241      -0.821       -----       0.137       0.707       1.086
RESID 810 (Q):      -0.480      -0.607       -----       0.782      -0.218       0.686
RESID 811 (A):      -0.925      -0.049       -----       1.087       0.515       0.059
RESID 812 (F):       0.962      -0.389       -----      -0.360       0.951       0.031
RESID 813 (I):      -0.476      -0.887       -----       0.772      -0.185       0.555
RESID 814 (D):       3.090      -0.176       -----       0.417      -0.579       0.368
RESID 815 (F):       2.127      -0.350       -----       0.481      -0.034       0.075
RESID 816 (M):      -2.060      -0.312       -----      -1.175      -1.938       0.178
RESID 817 (S):       1.626      -0.035       -----       0.601      -0.092      -0.217
RESID 818 (R):       0.383      -0.062       -----       0.862       1.002      -0.827
RESID 819 (E):       1.510       0.022       -----      -1.712       1.433       0.418
RESID 820 (T):       1.821       0.493       -----      -0.705       1.174       0.335
RESID 821 (A):       3.697      -0.048       -----       1.925      -1.873       0.786
RESID 822 (D):      -0.831      -0.122       -----      -0.273      -0.752      -0.055
RESID 823 (T):      -1.602      -0.370       -----       1.756      -2.010      -0.223
RESID 824 (D):       2.188       0.132       -----      -1.812       0.526      -0.478
RESID 825 (T):       1.131      -0.056       -----      -1.677       0.910      -0.359
RESID 826 (A):       0.585       0.001       -----       0.389       0.643       0.268
RESID 827 (D):      -0.277       0.099       -----      -0.980      -0.449       0.433
RESID 828 (Q):       2.862       0.024       -----      -0.185      -0.232       0.477
RESID 829 (V):       2.108      -0.355       -----       0.676      -0.613       0.786
RESID 830 (M):       0.079      -0.314       -----       3.576       0.508      -0.352
RESID 831 (A):      -0.846       0.688       -----       0.315       0.686       0.163
RESID 832 (S):      -1.387       0.165       -----      -0.315      -0.170       0.367
RESID 833 (F):       2.586      -0.444       -----       0.827       0.663       0.197
RESID 834 (K):      -2.192      -0.198       -----       0.893       0.013      -0.127
RESID 835 (I):      -1.603       0.021       -----      -1.008      -0.141       0.154
RESID 836 (L):       2.660       0.108       -----       0.115       0.381      -0.428
RESID 837 (A):       0.575      -0.046       -----      -0.471       0.195       0.675
RESID 838 (G):       0.344       -----       -----       0.153       -----      -0.713
RESID 839 (D):      -2.124      -0.437       -----       0.704      -1.839       0.624
RESID 840 (K):      -3.322      -0.203       -----      -0.160       0.242       0.162
RESID 841 (N):      -0.924      -0.004       -----      -0.434       0.127      -0.210
RESID 842 (Y):      -1.931       0.068       -----      -1.241      -0.044      -0.655
RESID 843 (I):      -6.263       0.199       -----       0.607       0.161      -0.684
RESID 844 (T):      -0.906       0.108       -----      -0.453       0.367      -0.019
RESID 845 (M):      -0.828      -0.228       -----      -0.042       0.760      -0.188
RESID 846 (D):      -2.153      -0.107       -----       0.126      -0.136      -0.321
RESID 847 (E):       1.034      -0.215       -----       0.610      -0.047       0.278
RESID 848 (L):      -0.567      -0.275       -----       1.138       0.297       0.368
RESID 849 (R):      -0.662      -0.333       -----       1.658       0.871       0.244
RESID 850 (R):      -0.250      -0.219       -----       1.017      -0.802      -0.184
RESID 851 (E):      -3.649      -0.020       -----      -0.307       0.341      -0.198
RESID 852 (L):      -2.301      -0.193       -----       0.382       0.888       0.124
RESID 853 (P):       -----      -0.038       -----       0.987       1.312       -----
RESID 854 (P):       -----      -0.185       -----       4.334      -0.665       -----
RESID 855 (D):      -4.342      -0.007       -----      -0.669      -1.345       0.515
RESID 856 (Q):       2.673      -0.092       -----      -1.067       1.025      -0.973
RESID 857 (A):       0.941      -0.205       -----       0.610      -0.234       0.752
RESID 858 (E):      -4.706       0.005       -----       0.070      -0.428       0.300
RESID 859 (Y):      -1.516      -0.026       -----       0.065       0.517      -0.661
RESID 860 (C):      -0.915       0.825       -----      -0.013       0.194       0.224
RESID 861 (I):       0.067      -0.324       -----       0.397       1.038       0.623
RESID 862 (A):      -4.118       0.139       -----      -1.291       0.391      -0.831
RESID 863 (R):       1.233      -0.371       -----       0.508       0.081      -0.132
RESID 864 (M):      -1.543       0.162       -----      -0.776       3.206      -0.229
RESID 865 (A):      -1.224      -0.710       -----      -0.423       0.341       0.459
RESID 866 (P):       -----       0.019       -----      -0.179       1.496       -----
RESID 867 (Y):      -3.470       0.273       -----       1.462       1.821      -0.006
RESID 868 (T):       -----      -0.301       -----      -0.260      -0.881       -----
RESID 869 (G):       -----       -----       -----       2.649       -----       -----
RESID 870 (P):       -----      -0.054       -----       0.648      -0.602       -----
RESID 871 (D):       0.467       0.005       -----      -1.214      -1.611       0.764
RESID 872 (S):      -3.159      -0.982       -----       1.399      -2.359       0.032
RESID 873 (V):      -2.217       0.176       -----      -0.307       1.590      -1.693
RESID 874 (P):       -----      -0.230       -----       0.987       1.354       -----
RESID 875 (G):       4.447       -----       -----      -0.081       -----       0.770
RESID 876 (A):      -3.585      -1.527       -----       2.894      -1.175       0.121
RESID 877 (L):       4.340      -0.338       -----       0.560      -2.156       0.250
RESID 878 (D):      -2.309       0.317       -----      -0.805      -0.672       1.238
RESID 879 (Y):       2.262       0.757       -----      -0.309      -0.041      -0.477
RESID 880 (M):       6.612      -0.055       -----      -0.913      -2.981       0.420
RESID 881 (S):      -1.484      -0.107       -----       1.607       0.850      -0.350
RESID 882 (F):       2.898       0.395       -----       1.950       1.339       0.080
RESID 883 (S):       2.718      -0.086       -----      -1.150       0.503      -0.713
RESID 884 (T):      -3.671      -0.282       -----       0.545      -0.252      -0.308
RESID 885 (A):       0.769      -0.287       -----       0.887      -1.180       0.329
RESID 886 (L):      -0.319      -0.455       -----       1.119      -0.954      -0.353
RESID 887 (Y):       1.322      -0.037       -----       0.300       1.966      -0.593
RESID 888 (G):       5.548       -----       -----       0.451       -----       0.224
RESID 889 (E):      -0.519       0.110       -----      -0.694       0.870      -0.021
RESID 890 (S):       4.062       0.186       -----      -0.422       1.016      -0.067
RESID 891 (D):       2.305      -0.151       -----       0.530       1.039      -0.129

DATA CS_STAT_INFO  N  RMS:   2.779 ppm Count: 139 Average Difference: -0.389 +/- 2.762 ppm
DATA CS_STAT_INFO  HA RMS:   0.357 ppm Count: 160 Average Difference:  0.053 +/- 0.354 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   1.263 ppm Count: 150 Average Difference: -0.341 +/- 1.220 ppm
DATA CS_STAT_INFO  CB RMS:   1.090 ppm Count: 140 Average Difference:  0.072 +/- 1.092 ppm
DATA CS_STAT_INFO  HN RMS:   0.621 ppm Count: 139 Average Difference: -0.160 +/- 0.602 ppm


############################################################################
For conformer 8:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 742 (S):       HA         4.525         4.525         4.612        -0.087
RESID 742 (S):       CA        58.148        58.148        57.644         0.504
RESID 742 (S):       CB        63.791        63.791        63.931        -0.140
RESID 743 (I):        N       122.172       122.172       123.395        -1.223
RESID 743 (I):       HA         4.362         4.362         4.017         0.345
RESID 743 (I):       CA        60.421        60.421        62.332        -1.911
RESID 743 (I):       CB        39.166        39.166        38.600         0.566
RESID 743 (I):        H         8.132         8.132         8.670        -0.538
RESID 744 (S):        N       123.144       123.144       122.891         0.253
RESID 744 (S):       HA         4.449         4.449         4.686        -0.237
RESID 744 (S):       CA        57.463        57.463        57.320         0.143
RESID 744 (S):       CB        65.219        65.219        65.660        -0.441
RESID 744 (S):        H         8.848         8.848         8.403         0.445
RESID 745 (Q):        N       121.619       121.619       121.014         0.605
RESID 745 (Q):       HA         3.952         3.952         4.149        -0.197
RESID 745 (Q):       CA        58.768        58.768        59.044        -0.276
RESID 745 (Q):       CB        28.512        28.512        28.627        -0.115
RESID 745 (Q):        H         9.042         9.042         9.009         0.033
RESID 746 (E):        N       118.648       118.648       119.191        -0.543
RESID 746 (E):       HA         4.004         4.004         4.169        -0.165
RESID 746 (E):       CA        60.223        60.223        58.759         1.464
RESID 746 (E):       CB        28.854        28.854        29.413        -0.559
RESID 746 (E):        H         8.721         8.721         7.880         0.841
RESID 747 (Q):        N       120.463       120.463       120.587        -0.124
RESID 747 (Q):       HA         3.766         3.766         4.313        -0.547
RESID 747 (Q):       CA        58.306        58.306        58.632        -0.326
RESID 747 (Q):       CB        28.948        28.948        28.659         0.289
RESID 747 (Q):        H         7.838         7.838         8.399        -0.561
RESID 748 (M):        N       119.252       119.252       115.270         3.982
RESID 748 (M):       HA         4.200         4.200         4.470        -0.270
RESID 748 (M):       CA        58.096        58.096        59.015        -0.919
RESID 748 (M):       CB        30.900        30.900        32.307        -1.407
RESID 748 (M):        H         8.473         8.473         8.101         0.372
RESID 749 (N):        N       117.740       117.740       118.855        -1.115
RESID 749 (N):       HA         4.474         4.474         4.498        -0.024
RESID 749 (N):       CA        55.795        55.795        55.907        -0.112
RESID 749 (N):       CB        37.413        37.413        38.784        -1.371
RESID 749 (N):        H         8.334         8.334         7.841         0.493
RESID 750 (E):        N       122.848       122.848       118.750         4.098
RESID 750 (E):       HA         4.204         4.204         4.151         0.053
RESID 750 (E):       CA        59.341        59.341        58.316         1.025
RESID 750 (E):       CB        29.184        29.184        29.766        -0.582
RESID 750 (E):        H         7.838         7.838         8.315        -0.477
RESID 751 (F):        N       120.177       120.177       123.019        -2.842
RESID 751 (F):       HA         5.021         5.021         4.350         0.671
RESID 751 (F):       CA        58.353        58.353        59.319        -0.966
RESID 751 (F):       CB        37.797        37.797        39.304        -1.507
RESID 751 (F):        H         8.785         8.785         8.728         0.057
RESID 752 (R):        N       120.528       120.528       120.618        -0.090
RESID 752 (R):       HA         4.160         4.160         3.821         0.339
RESID 752 (R):       CA        59.704        59.704        58.281         1.423
RESID 752 (R):       CB        29.968        29.968        28.453         1.515
RESID 752 (R):        H         9.016         9.016         7.942         1.074
RESID 753 (A):        N       121.112       121.112       122.463        -1.351
RESID 753 (A):       HA         4.245         4.245         4.389        -0.144
RESID 753 (A):       CA        55.331        55.331        54.674         0.657
RESID 753 (A):       CB        17.823        17.823        17.740         0.083
RESID 753 (A):        H         8.100         8.100         7.850         0.250
RESID 754 (S):        N       115.589       115.589       115.409         0.180
RESID 754 (S):       HA         4.452         4.452         4.192         0.260
RESID 754 (S):       CA        62.675        62.675        60.329         2.346
RESID 754 (S):       CB        63.359        63.359        62.733         0.625
RESID 754 (S):        H         8.391         8.391         7.907         0.484
RESID 755 (F):        N       121.886       121.886       118.862         3.024
RESID 755 (F):       HA         3.642         3.642         3.987        -0.345
RESID 755 (F):       CA        61.964        61.964        58.908         3.056
RESID 755 (F):       CB        39.822        39.822        38.459         1.363
RESID 755 (F):        H         8.675         8.675         7.908         0.767
RESID 756 (N):        N       113.618       113.618       113.823        -0.205
RESID 756 (N):       HA         4.427         4.427         4.087         0.340
RESID 756 (N):       CA        55.611        55.611        52.605         3.006
RESID 756 (N):       CB        37.838        37.838        39.240        -1.402
RESID 756 (N):        H         8.593         8.593         7.614         0.979
RESID 757 (H):        N       119.679       119.679       121.514        -1.835
RESID 757 (H):       HA         4.079         4.079         4.272        -0.193
RESID 757 (H):       CA        59.344        59.344        59.530        -0.186
RESID 757 (H):       CB        29.889        29.889        29.964        -0.075
RESID 757 (H):        H         8.139         8.139         7.501         0.638
RESID 758 (F):        N       113.051       113.051       116.269        -3.218
RESID 758 (F):       HA         4.061         4.061         4.590        -0.529
RESID 758 (F):       CA        60.697        60.697        58.454         2.243
RESID 758 (F):       CB        38.735        38.735        40.504        -1.769
RESID 758 (F):        H         7.585         7.585         7.569         0.016
RESID 759 (D):        N       120.916       120.916       121.558        -0.642
RESID 759 (D):       HA         4.509         4.509         4.465         0.044
RESID 759 (D):       CA        52.171        52.171        54.906        -2.735
RESID 759 (D):       CB        38.009        38.009        40.565        -2.556
RESID 759 (D):        H         7.423         7.423         7.940        -0.517
RESID 760 (R):        N       124.819       124.819       125.627        -0.808
RESID 760 (R):       HA         3.768         3.768         4.092        -0.324
RESID 760 (R):       CA        58.275        58.275        58.733        -0.458
RESID 760 (R):       CB        30.249        30.249        30.638        -0.389
RESID 760 (R):        H         7.781         7.781         8.327        -0.546
RESID 761 (D):        N       113.673       113.673       113.771        -0.098
RESID 761 (D):       HA         4.483         4.483         4.720        -0.237
RESID 761 (D):       CA        51.977        51.977        53.482        -1.505
RESID 761 (D):       CB        39.522        39.522        40.658        -1.137
RESID 761 (D):        H         7.821         7.821         8.140        -0.319
RESID 762 (H):        N       114.966       114.966       116.548        -1.582
RESID 762 (H):       HA         4.161         4.161         4.213        -0.052
RESID 762 (H):       CA        56.618        56.618        57.034        -0.416
RESID 762 (H):       CB        26.380        26.380        28.881        -2.501
RESID 762 (H):        H         7.744         7.744         7.933        -0.189
RESID 763 (S):        N       115.077       115.077       113.881         1.196
RESID 763 (S):       HA         4.336         4.336         4.354        -0.018
RESID 763 (S):       CA        59.860        59.860        59.867        -0.007
RESID 763 (S):       CB        65.192        65.192        64.032         1.160
RESID 763 (S):        H         8.726         8.726         8.643         0.083
RESID 764 (G):        N       116.915       116.915       110.275         6.640
RESID 764 (G):       CA        45.449        45.449        45.594        -0.145
RESID 764 (G):        H        11.017        11.017         8.780         2.237
RESID 765 (T):        N       107.334       107.334       110.738        -3.404
RESID 765 (T):       HA         4.829         4.829         5.188        -0.359
RESID 765 (T):       CA        58.759        58.759        60.825        -2.066
RESID 765 (T):       CB        73.383        73.383        71.980         1.403
RESID 765 (T):        H         7.693         7.693         8.150        -0.457
RESID 766 (L):        N       124.664       124.664       124.570         0.094
RESID 766 (L):       HA         4.900         4.900         4.652         0.248
RESID 766 (L):       CA        52.339        52.339        53.694        -1.355
RESID 766 (L):       CB        42.339        42.339        42.856        -0.517
RESID 766 (L):        H         9.209         9.209         8.698         0.511
RESID 767 (G):        N       112.024       112.024       112.066        -0.042
RESID 767 (G):       CA        44.123        44.123        43.834         0.289
RESID 767 (G):        H         8.910         8.910         8.905         0.005
RESID 768 (P):       HA         4.318         4.318         4.527        -0.209
RESID 768 (P):       CA        67.127        67.127        66.267         0.860
RESID 768 (P):       CB        32.029        32.029        32.115        -0.086
RESID 769 (E):        N       115.246       115.246       118.470        -3.224
RESID 769 (E):       HA         3.971         3.971         4.091        -0.120
RESID 769 (E):       CA        59.621        59.621        58.794         0.827
RESID 769 (E):       CB        28.628        28.628        29.528        -0.900
RESID 769 (E):        H         8.622         8.622         9.031        -0.409
RESID 770 (E):        N       121.127       121.127       118.225         2.902
RESID 770 (E):       HA         4.272         4.272         4.257         0.015
RESID 770 (E):       CA        58.497        58.497        58.901        -0.404
RESID 770 (E):       CB        31.372        31.372        30.054         1.318
RESID 770 (E):        H         7.493         7.493         7.896        -0.403
RESID 771 (F):        N       117.688       117.688       122.103        -4.415
RESID 771 (F):       HA         4.355         4.355         4.275         0.080
RESID 771 (F):       CA        58.625        58.625        60.712        -2.087
RESID 771 (F):       CB        38.810        38.810        39.453        -0.643
RESID 771 (F):        H         9.110         9.110         8.939         0.171
RESID 772 (K):        N       119.789       119.789       118.205         1.584
RESID 772 (K):       HA         3.313         3.313         3.619        -0.306
RESID 772 (K):       CA        60.672        60.672        58.365         2.307
RESID 772 (K):       CB        31.979        31.979        30.819         1.160
RESID 772 (K):        H         8.594         8.594         8.142         0.452
RESID 773 (A):        N       118.461       118.461       120.265        -1.804
RESID 773 (A):       HA         3.881         3.881         4.053        -0.172
RESID 773 (A):       CA        55.013        55.013        53.784         1.229
RESID 773 (A):       CB        17.629        17.629        18.997        -1.368
RESID 773 (A):        H         7.231         7.231         7.484        -0.253
RESID 774 (C):        N       120.913       120.913       119.362         1.551
RESID 774 (C):       HA         2.435         2.435         2.735        -0.300
RESID 774 (C):       CA        61.174        61.174        61.337        -0.163
RESID 774 (C):       CB        26.215        26.215        26.329        -0.114
RESID 774 (C):        H         7.498         7.498         7.627        -0.129
RESID 775 (L):        N       119.201       119.201       118.523         0.678
RESID 775 (L):       HA         3.766         3.766         3.492         0.274
RESID 775 (L):       CA        57.932        57.932        56.228         1.704
RESID 775 (L):       CB        40.950        40.950        40.929         0.021
RESID 775 (L):        H         8.372         8.372         7.633         0.739
RESID 776 (I):        N       121.051       121.051       118.469         2.582
RESID 776 (I):       HA         4.090         4.090         2.542         1.548
RESID 776 (I):       CA        65.244        65.244        64.242         1.002
RESID 776 (I):       CB        37.991        37.991        37.227         0.764
RESID 776 (I):        H         8.358         8.358         6.619         1.739
RESID 777 (S):        N       119.109       119.109       112.949         6.160
RESID 777 (S):       HA         4.291         4.291         4.182         0.109
RESID 777 (S):       CA        61.725        61.725        59.459         2.266
RESID 777 (S):       CB        62.995        62.995        63.306        -0.311
RESID 777 (S):        H         7.822         7.822         7.314         0.508
RESID 778 (L):        N       121.208       121.208       117.835         3.373
RESID 778 (L):       HA         4.506         4.506         4.394         0.112
RESID 778 (L):       CA        54.999        54.999        53.459         1.540
RESID 778 (L):       CB        42.670        42.670        42.091         0.579
RESID 778 (L):        H         7.671         7.671         7.020         0.651
RESID 779 (G):        N       106.232       106.232       107.451        -1.219
RESID 779 (G):       CA        45.287        45.287        45.227         0.060
RESID 779 (G):        H         7.897         7.897         7.239         0.658
RESID 780 (Y):        N       120.772       120.772       117.797         2.975
RESID 780 (Y):       HA         4.142         4.142         4.571        -0.429
RESID 780 (Y):       CA        59.231        59.231        54.868         4.363
RESID 780 (Y):       CB        38.341        38.341        38.503        -0.162
RESID 780 (Y):        H         8.072         8.072         7.391         0.681
RESID 781 (D):        N       124.304       124.304       117.920         6.384
RESID 781 (D):       HA         4.665         4.665         4.608         0.057
RESID 781 (D):       CA        53.148        53.148        54.482        -1.334
RESID 781 (D):       CB        39.804        39.804        40.765        -0.961
RESID 781 (D):        H         8.862         8.862         9.141        -0.279
RESID 782 (I):        N       122.271       122.271       112.911         9.360
RESID 782 (I):       HA         4.341         4.341         4.480        -0.139
RESID 782 (I):       CA        58.992        58.992        59.086        -0.094
RESID 782 (I):       CB        37.907        37.907        40.368        -2.461
RESID 782 (I):        H         7.344         7.344         6.941         0.403
RESID 783 (G):        N       112.322       112.322       105.754         6.568
RESID 783 (G):       CA        44.523        44.523        44.743        -0.220
RESID 783 (G):        H         8.122         8.122         8.144        -0.022
RESID 784 (N):        N       118.727       118.727       118.150         0.577
RESID 784 (N):       HA         4.882         4.882         4.681         0.201
RESID 784 (N):       CA        52.098        52.098        53.302        -1.204
RESID 784 (N):       CB        37.424        37.424        38.362        -0.938
RESID 784 (N):        H         8.452         8.452         8.510        -0.058
RESID 785 (D):        N       119.826       119.826       121.939        -2.113
RESID 785 (D):       HA         4.778         4.778         4.737         0.041
RESID 785 (D):       CA        52.164        52.164        52.069         0.095
RESID 785 (D):       CB        39.657        39.657        42.047        -2.390
RESID 785 (D):        H         8.145         8.145         7.805         0.340
RESID 786 (P):       HA         4.271         4.271         4.257         0.014
RESID 786 (P):       CA        66.265        66.265        64.990         1.275
RESID 786 (P):       CB        32.011        32.011        32.138        -0.127
RESID 787 (Q):        N       118.097       118.097       117.659         0.438
RESID 787 (Q):       HA         4.141         4.141         4.304        -0.163
RESID 787 (Q):       CA        59.115        59.115        58.070         1.045
RESID 787 (Q):       CB        27.732        27.732        28.805        -1.073
RESID 787 (Q):        H         8.409         8.409         9.016        -0.607
RESID 788 (G):        N       113.421       113.421       108.599         4.822
RESID 788 (G):       CA        47.317        47.317        46.928         0.389
RESID 788 (G):        H         8.644         8.644         7.846         0.798
RESID 789 (E):        N       121.223       121.223       121.260        -0.037
RESID 789 (E):       HA         4.148         4.148         4.273        -0.125
RESID 789 (E):       CA        59.344        59.344        59.336         0.008
RESID 789 (E):       CB        29.435        29.435        29.363         0.072
RESID 789 (E):        H         8.514         8.514         8.413         0.101
RESID 790 (A):        N       122.879       122.879       122.497         0.382
RESID 790 (A):       HA         4.247         4.247         4.204         0.043
RESID 790 (A):       CA        54.907        54.907        55.132        -0.225
RESID 790 (A):       CB        17.780        17.780        18.439        -0.659
RESID 790 (A):        H         8.024         8.024         7.668         0.356
RESID 791 (E):        N       122.622       122.622       119.081         3.541
RESID 791 (E):       HA         4.687         4.687         4.108         0.579
RESID 791 (E):       CA        58.134        58.134        58.635        -0.501
RESID 791 (E):       CB        29.061        29.061        29.492        -0.431
RESID 791 (E):        H         8.280         8.280         7.889         0.391
RESID 792 (F):        N       119.949       119.949       121.172        -1.223
RESID 792 (F):       HA         4.038         4.038         4.268        -0.230
RESID 792 (F):       CA        61.812        61.812        60.964         0.848
RESID 792 (F):       CB        38.598        38.598        38.567         0.031
RESID 792 (F):        H         8.722         8.722         8.796        -0.074
RESID 793 (A):        N       119.652       119.652       121.726        -2.074
RESID 793 (A):       HA         3.854         3.854         3.324         0.530
RESID 793 (A):       CA        54.902        54.902        54.449         0.453
RESID 793 (A):       CB        17.628        17.628        17.838        -0.210
RESID 793 (A):        H         8.163         8.163         7.757         0.406
RESID 794 (R):        N       121.092       121.092       119.432         1.660
RESID 794 (R):       HA         3.910         3.910         3.984        -0.074
RESID 794 (R):       CA        59.471        59.471        59.213         0.258
RESID 794 (R):       CB        30.092        30.092        30.195        -0.103
RESID 794 (R):        H         8.034         8.034         7.631         0.403
RESID 795 (I):        N       121.394       121.394       120.683         0.711
RESID 795 (I):       HA         3.388         3.388         3.739        -0.351
RESID 795 (I):       CA        65.848        65.848        65.140         0.708
RESID 795 (I):       CB        38.209        38.209        38.236        -0.027
RESID 795 (I):        H         8.049         8.049         7.843         0.206
RESID 796 (M):        N       119.012       119.012       118.446         0.566
RESID 796 (M):       HA         4.155         4.155         3.950         0.205
RESID 796 (M):       CA        56.470        56.470        57.978        -1.508
RESID 796 (M):       CB        29.892        29.892        31.574        -1.682
RESID 796 (M):        H         8.589         8.589         8.299         0.290
RESID 797 (S):        N       114.132       114.132       112.440         1.692
RESID 797 (S):       HA         4.097         4.097         4.258        -0.161
RESID 797 (S):       CA        61.231        61.231        60.521         0.710
RESID 797 (S):       CB        62.895        62.895        63.892        -0.997
RESID 797 (S):        H         7.732         7.732         7.559         0.173
RESID 798 (I):        N       120.873       120.873       116.075         4.798
RESID 798 (I):       HA         3.818         3.818         4.097        -0.279
RESID 798 (I):       CA        63.875        63.875        63.255         0.620
RESID 798 (I):       CB        38.863        38.863        38.387         0.476
RESID 798 (I):        H         7.352         7.352         7.575        -0.223
RESID 799 (V):        N       110.552       110.552       112.720        -2.168
RESID 799 (V):       HA         4.243         4.243         4.072         0.171
RESID 799 (V):       CA        62.616        62.616        60.532         2.084
RESID 799 (V):       CB        32.416        32.416        30.726         1.690
RESID 799 (V):        H         7.648         7.648         7.949        -0.301
RESID 800 (D):        N       119.435       119.435       120.669        -1.234
RESID 800 (D):       HA         5.225         5.225         5.143         0.082
RESID 800 (D):       CA        51.715        51.715        50.097         1.618
RESID 800 (D):       CB        41.086        41.086        41.696        -0.610
RESID 800 (D):        H         8.074         8.074         7.268         0.806
RESID 801 (P):       HA         4.331         4.331         4.411        -0.080
RESID 801 (P):       CA        64.819        64.819        64.025         0.794
RESID 801 (P):       CB        31.689        31.689        32.037        -0.348
RESID 802 (N):        N       115.164       115.164       115.378        -0.214
RESID 802 (N):       HA         4.760         4.760         4.742         0.018
RESID 802 (N):       CA        52.998        52.998        52.661         0.337
RESID 802 (N):       CB        37.952        37.952        39.979        -2.027
RESID 802 (N):        H         8.949         8.949         7.627         1.322
RESID 803 (R):        N       117.446       117.446       116.275         1.171
RESID 803 (R):       HA         3.830         3.830         4.229        -0.399
RESID 803 (R):       CA        56.888        56.888        56.926        -0.038
RESID 803 (R):       CB        26.354        26.354        27.178        -0.824
RESID 803 (R):        H         7.958         7.958         7.853         0.105
RESID 804 (L):        N       123.307       123.307       116.678         6.629
RESID 804 (L):       HA         4.156         4.156         4.707        -0.551
RESID 804 (L):       CA        56.373        56.373        54.354         2.019
RESID 804 (L):       CB        42.930        42.930        41.692         1.238
RESID 804 (L):        H        10.591        10.591         8.194         2.397
RESID 805 (G):        N       110.516       110.516       107.523         2.993
RESID 805 (G):       CA        44.944        44.944        45.712        -0.768
RESID 805 (G):        H        11.001        11.001         8.599         2.402
RESID 806 (V):        N       109.840       109.840       114.459        -4.619
RESID 806 (V):       HA         4.571         4.571         4.312         0.259
RESID 806 (V):       CA        58.566        58.566        59.386        -0.820
RESID 806 (V):       CB        36.853        36.853        35.210         1.643
RESID 806 (V):        H         6.831         6.831         7.021        -0.190
RESID 807 (V):        N       122.184       122.184       122.807        -0.623
RESID 807 (V):       HA         4.167         4.167         4.445        -0.278
RESID 807 (V):       CA        61.644        61.644        61.138         0.506
RESID 807 (V):       CB        32.383        32.383        31.750         0.632
RESID 807 (V):        H         9.007         9.007         8.838         0.169
RESID 808 (T):        N       117.391       117.391       116.635         0.756
RESID 808 (T):       HA         4.593         4.593         4.639        -0.046
RESID 808 (T):       CA        60.615        60.615        58.630         1.985
RESID 808 (T):       CB        70.695        70.695        71.261        -0.566
RESID 808 (T):        H         7.925         7.925         7.436         0.489
RESID 809 (F):        N       122.236       122.236       118.725         3.511
RESID 809 (F):       HA         3.640         3.640         4.457        -0.817
RESID 809 (F):       CA        61.749        61.749        61.424         0.325
RESID 809 (F):       CB        38.177        38.177        37.525         0.652
RESID 809 (F):        H         9.349         9.349         8.117         1.232
RESID 810 (Q):        N       116.788       116.788       117.337        -0.549
RESID 810 (Q):       HA         3.598         3.598         4.201        -0.603
RESID 810 (Q):       CA        58.582        58.582        57.831         0.750
RESID 810 (Q):       CB        28.199        28.199        28.505        -0.306
RESID 810 (Q):        H         8.572         8.572         7.924         0.648
RESID 811 (A):        N       121.208       121.208       121.946        -0.738
RESID 811 (A):       HA         4.119         4.119         4.195        -0.076
RESID 811 (A):       CA        54.911        54.911        53.785         1.126
RESID 811 (A):       CB        19.265        19.265        18.896         0.369
RESID 811 (A):        H         7.667         7.667         7.674        -0.007
RESID 812 (F):        N       119.805       119.805       118.929         0.876
RESID 812 (F):       HA         3.980         3.980         4.366        -0.386
RESID 812 (F):       CA        61.740        61.740        62.100        -0.360
RESID 812 (F):       CB        39.670        39.670        38.680         0.990
RESID 812 (F):        H         8.400         8.400         8.365         0.035
RESID 813 (I):        N       118.098       118.098       118.562        -0.464
RESID 813 (I):       HA         3.146         3.146         4.020        -0.874
RESID 813 (I):       CA        63.299        63.299        62.708         0.591
RESID 813 (I):       CB        36.202        36.202        36.377        -0.175
RESID 813 (I):        H         8.364         8.364         7.833         0.531
RESID 814 (D):        N       123.528       123.528       120.519         3.009
RESID 814 (D):       HA         4.196         4.196         4.370        -0.174
RESID 814 (D):       CA        57.680        57.680        57.415         0.265
RESID 814 (D):       CB        40.236        40.236        40.654        -0.418
RESID 814 (D):        H         8.221         8.221         7.849         0.372
RESID 815 (F):        N       120.584       120.584       119.435         1.149
RESID 815 (F):       HA         4.129         4.129         4.359        -0.230
RESID 815 (F):       CA        61.084        61.084        60.872         0.212
RESID 815 (F):       CB        39.698        39.698        39.422         0.276
RESID 815 (F):        H         7.887         7.887         7.824         0.063
RESID 816 (M):        N       116.960       116.960       118.774        -1.814
RESID 816 (M):       HA         3.782         3.782         4.084        -0.302
RESID 816 (M):       CA        55.662        55.662        56.776        -1.114
RESID 816 (M):       CB        30.033        30.033        31.946        -1.913
RESID 816 (M):        H         8.372         8.372         8.172         0.200
RESID 817 (S):        N       114.277       114.277       112.345         1.932
RESID 817 (S):       HA         4.194         4.194         4.246        -0.052
RESID 817 (S):       CA        60.521        60.521        59.901         0.620
RESID 817 (S):       CB        63.185        63.185        63.310        -0.125
RESID 817 (S):        H         8.074         8.074         8.279        -0.205
RESID 818 (R):        N       121.493       121.493       121.154         0.339
RESID 818 (R):       HA         4.124         4.124         4.152        -0.028
RESID 818 (R):       CA        57.684        57.684        56.732         0.952
RESID 818 (R):       CB        30.315        30.315        29.111         1.204
RESID 818 (R):        H         7.288         7.288         8.062        -0.774
RESID 819 (E):        N       119.737       119.737       118.293         1.444
RESID 819 (E):       HA         4.101         4.101         4.062         0.039
RESID 819 (E):       CA        57.066        57.066        58.836        -1.770
RESID 819 (E):       CB        30.491        30.491        29.068         1.423
RESID 819 (E):        H         8.045         8.045         7.623         0.422
RESID 820 (T):        N       112.128       112.128       110.650         1.478
RESID 820 (T):       HA         4.280         4.280         3.977         0.303
RESID 820 (T):       CA        62.055        62.055        62.767        -0.712
RESID 820 (T):       CB        69.828        69.828        68.567         1.261
RESID 820 (T):        H         7.760         7.760         7.424         0.336
RESID 821 (A):        N       126.098       126.098       124.987         1.111
RESID 821 (A):       HA         4.284         4.284         4.498        -0.214
RESID 821 (A):       CA        52.726        52.726        51.111         1.615
RESID 821 (A):       CB        19.304        19.304        21.260        -1.956
RESID 821 (A):        H         7.957         7.957         7.341         0.616
RESID 822 (D):        N       119.904       119.904       122.211        -2.307
RESID 822 (D):       HA         4.613         4.613         4.581         0.032
RESID 822 (D):       CA        54.335        54.335        55.222        -0.887
RESID 822 (D):       CB        41.032        41.032        41.306        -0.274
RESID 822 (D):        H         8.352         8.352         8.401        -0.049
RESID 823 (T):        N       114.142       114.142       116.982        -2.840
RESID 823 (T):       HA         4.278         4.278         4.541        -0.263
RESID 823 (T):       CA        62.117        62.117        60.585         1.532
RESID 823 (T):       CB        69.584        69.584        71.700        -2.116
RESID 823 (T):        H         8.079         8.079         7.561         0.518
RESID 824 (D):        N       123.261       123.261       122.964         0.297
RESID 824 (D):       HA         4.657         4.657         4.427         0.230
RESID 824 (D):       CA        54.786        54.786        57.375        -2.589
RESID 824 (D):       CB        41.085        41.085        40.855         0.230
RESID 824 (D):        H         8.431         8.431         8.905        -0.474
RESID 825 (T):        N       114.932       114.932       111.439         3.493
RESID 825 (T):       HA         4.161         4.161         4.260        -0.099
RESID 825 (T):       CA        63.109        63.109        64.716        -1.607
RESID 825 (T):       CB        69.455        69.455        68.760         0.695
RESID 825 (T):        H         8.155         8.155         8.509        -0.354
RESID 826 (A):        N       124.961       124.961       124.383         0.578
RESID 826 (A):       HA         4.160         4.160         4.143         0.017
RESID 826 (A):       CA        54.392        54.392        54.094         0.298
RESID 826 (A):       CB        18.610        18.610        18.059         0.551
RESID 826 (A):        H         8.379         8.379         8.219         0.160
RESID 827 (D):        N       117.765       117.765       117.470         0.295
RESID 827 (D):       HA         4.425         4.425         4.352         0.073
RESID 827 (D):       CA        56.051        56.051        57.053        -1.002
RESID 827 (D):       CB        40.559        40.559        40.971        -0.412
RESID 827 (D):        H         8.250         8.250         7.938         0.312
RESID 828 (Q):        N       120.523       120.523       117.635         2.888
RESID 828 (Q):       HA         4.091         4.091         4.115        -0.024
RESID 828 (Q):       CA        57.814        57.814        57.985        -0.171
RESID 828 (Q):       CB        28.549        28.549        28.816        -0.267
RESID 828 (Q):        H         8.076         8.076         7.587         0.489
RESID 829 (V):        N       120.970       120.970       120.937         0.033
RESID 829 (V):       HA         3.525         3.525         3.831        -0.306
RESID 829 (V):       CA        65.194        65.194        64.624         0.570
RESID 829 (V):       CB        31.541        31.541        31.656        -0.115
RESID 829 (V):        H         8.051         8.051         7.321         0.730
RESID 830 (M):        N       119.572       119.572       117.342         2.230
RESID 830 (M):       HA         4.006         4.006         4.161        -0.155
RESID 830 (M):       CA        57.977        57.977        55.200         2.777
RESID 830 (M):       CB        31.995        31.995        29.921         2.074
RESID 830 (M):        H         8.110         8.110         7.838         0.272
RESID 831 (A):        N       121.059       121.059       122.077        -1.018
RESID 831 (A):       HA         4.045         4.045         3.375         0.670
RESID 831 (A):       CA        54.501        54.501        53.950         0.551
RESID 831 (A):       CB        18.067        18.067        17.876         0.191
RESID 831 (A):        H         7.836         7.836         7.329         0.507
RESID 832 (S):        N       114.256       114.256       115.854        -1.598
RESID 832 (S):       HA         4.141         4.141         3.977         0.164
RESID 832 (S):       CA        60.845        60.845        61.267        -0.423
RESID 832 (S):       CB        62.613        62.613        62.742        -0.129
RESID 832 (S):        H         7.714         7.714         7.603         0.111
RESID 833 (F):        N       121.847       121.847       118.684         3.163
RESID 833 (F):       HA         3.823         3.823         4.251        -0.428
RESID 833 (F):       CA        58.627        58.627        57.388         1.239
RESID 833 (F):       CB        38.127        38.127        37.296         0.831
RESID 833 (F):        H         7.740         7.740         7.276         0.464
RESID 834 (K):        N       118.759       118.759       120.699        -1.940
RESID 834 (K):       HA         3.589         3.589         3.660        -0.071
RESID 834 (K):       CA        59.384        59.384        58.376         1.008
RESID 834 (K):       CB        32.143        32.143        31.971         0.172
RESID 834 (K):        H         7.843         7.843         8.054        -0.211
RESID 835 (I):        N       118.537       118.537       119.475        -0.938
RESID 835 (I):       HA         3.736         3.736         3.753        -0.017
RESID 835 (I):       CA        63.714        63.714        64.398        -0.684
RESID 835 (I):       CB        37.825        37.825        37.737         0.088
RESID 835 (I):        H         7.315         7.315         7.114         0.201
RESID 836 (L):        N       121.201       121.201       118.743         2.458
RESID 836 (L):       HA         3.955         3.955         3.833         0.122
RESID 836 (L):       CA        57.074        57.074        57.064         0.010
RESID 836 (L):       CB        42.415        42.415        41.996         0.419
RESID 836 (L):        H         7.625         7.625         7.979        -0.354
RESID 837 (A):        N       119.184       119.184       118.502         0.682
RESID 837 (A):       HA         3.895         3.895         3.897        -0.002
RESID 837 (A):       CA        53.301        53.301        53.858        -0.557
RESID 837 (A):       CB        19.338        19.338        19.064         0.274
RESID 837 (A):        H         8.099         8.099         7.434         0.665
RESID 838 (G):        N       107.030       107.030       106.358         0.672
RESID 838 (G):       CA        46.918        46.918        46.989        -0.071
RESID 838 (G):        H         7.676         7.676         8.521        -0.845
RESID 839 (D):        N       122.291       122.291       124.706        -2.415
RESID 839 (D):       HA         4.477         4.477         4.691        -0.214
RESID 839 (D):       CA        54.511        54.511        53.978         0.533
RESID 839 (D):       CB        40.181        40.181        41.846        -1.665
RESID 839 (D):        H         8.704         8.704         8.138         0.566
RESID 840 (K):        N       117.582       117.582       121.042        -3.460
RESID 840 (K):       HA         4.301         4.301         4.365        -0.064
RESID 840 (K):       CA        55.780        55.780        56.045        -0.266
RESID 840 (K):       CB        33.710        33.710        33.061         0.649
RESID 840 (K):        H         7.583         7.583         7.458         0.125
RESID 841 (N):        N       116.678       116.678       116.393         0.285
RESID 841 (N):       HA         4.611         4.611         4.584         0.027
RESID 841 (N):       CA        53.466        53.466        53.959        -0.493
RESID 841 (N):       CB        39.155        39.155        39.130         0.025
RESID 841 (N):        H         8.693         8.693         8.998        -0.305
RESID 842 (Y):        N       112.236       112.236       114.072        -1.836
RESID 842 (Y):       HA         4.986         4.986         4.785         0.201
RESID 842 (Y):       CA        54.918        54.918        56.104        -1.186
RESID 842 (Y):       CB        40.595        40.595        40.515         0.080
RESID 842 (Y):        H         6.637         6.637         7.300        -0.663
RESID 843 (I):        N       115.475       115.475       122.039        -6.564
RESID 843 (I):       HA         4.792         4.792         4.432         0.360
RESID 843 (I):       CA        58.957        58.957        58.292         0.665
RESID 843 (I):       CB        43.009        43.009        42.760         0.249
RESID 843 (I):        H         8.630         8.630         9.249        -0.619
RESID 844 (T):        N       117.169       117.169       118.606        -1.437
RESID 844 (T):       HA         5.370         5.370         5.206         0.164
RESID 844 (T):       CA        60.177        60.177        60.712        -0.535
RESID 844 (T):       CB        71.088        71.088        70.575         0.513
RESID 844 (T):        H         9.330         9.330         9.348        -0.018
RESID 845 (M):        N       119.860       119.860       120.737        -0.877
RESID 845 (M):       HA         3.824         3.824         4.044        -0.220
RESID 845 (M):       CA        60.321        60.321        60.366        -0.045
RESID 845 (M):       CB        33.030        33.030        32.297         0.733
RESID 845 (M):        H         8.556         8.556         8.731        -0.175
RESID 846 (D):        N       116.363       116.363       117.547        -1.184
RESID 846 (D):       HA         4.280         4.280         4.483        -0.203
RESID 846 (D):       CA        57.404        57.404        56.170         1.234
RESID 846 (D):       CB        40.584        40.584        40.577         0.007
RESID 846 (D):        H         8.377         8.377         8.644        -0.267
RESID 847 (E):        N       120.577       120.577       118.512         2.065
RESID 847 (E):       HA         3.854         3.854         4.154        -0.300
RESID 847 (E):       CA        59.657        59.657        58.969         0.688
RESID 847 (E):       CB        29.660        29.660        30.116        -0.456
RESID 847 (E):        H         7.855         7.855         7.528         0.327
RESID 848 (L):        N       118.714       118.714       119.287        -0.573
RESID 848 (L):       HA         3.822         3.822         4.079        -0.257
RESID 848 (L):       CA        58.725        58.725        57.753         0.972
RESID 848 (L):       CB        42.457        42.457        42.067         0.390
RESID 848 (L):        H         7.849         7.849         7.552         0.297
RESID 849 (R):        N       113.972       113.972       115.212        -1.240
RESID 849 (R):       HA         3.924         3.924         4.505        -0.581
RESID 849 (R):       CA        58.595        58.595        56.870         1.725
RESID 849 (R):       CB        30.100        30.100        29.338         0.762
RESID 849 (R):        H         8.053         8.053         7.762         0.291
RESID 850 (R):        N       118.178       118.178       118.613        -0.435
RESID 850 (R):       HA         4.193         4.193         4.394        -0.201
RESID 850 (R):       CA        58.245        58.245        57.742         0.503
RESID 850 (R):       CB        31.120        31.120        31.019         0.101
RESID 850 (R):        H         7.743         7.743         7.483         0.260
RESID 851 (E):        N       115.518       115.518       119.104        -3.586
RESID 851 (E):       HA         4.350         4.350         4.303         0.047
RESID 851 (E):       CA        56.886        56.886        57.856        -0.970
RESID 851 (E):       CB        31.590        31.590        30.915         0.675
RESID 851 (E):        H         7.596         7.596         7.794        -0.198
RESID 852 (L):        N       119.148       119.148       120.489        -1.341
RESID 852 (L):       HA         4.894         4.894         5.398        -0.504
RESID 852 (L):       CA        52.174        52.174        51.512         0.662
RESID 852 (L):       CB        42.469        42.469        41.655         0.814
RESID 852 (L):        H         7.890         7.890         7.940        -0.050
RESID 853 (P):       HA         4.347         4.347         4.424        -0.077
RESID 853 (P):       CA        65.119        65.119        63.953         1.166
RESID 853 (P):       CB        31.631        31.631        30.473         1.158
RESID 854 (P):       HA         4.270         4.270         4.492        -0.222
RESID 854 (P):       CA        66.336        66.336        61.796         4.540
RESID 854 (P):       CB        32.256        32.256        33.194        -0.938
RESID 855 (D):        N       114.865       114.865       119.016        -4.151
RESID 855 (D):       HA         4.349         4.349         4.417        -0.068
RESID 855 (D):       CA        56.913        56.913        57.614        -0.701
RESID 855 (D):       CB        39.244        39.244        40.963        -1.719
RESID 855 (D):        H         8.801         8.801         8.247         0.554
RESID 856 (Q):        N       121.465       121.465       118.396         3.069
RESID 856 (Q):       HA         4.199         4.199         4.286        -0.087
RESID 856 (Q):       CA        58.317        58.317        59.354        -1.037
RESID 856 (Q):       CB        29.247        29.247        28.259         0.988
RESID 856 (Q):        H         7.472         7.472         8.486        -1.014
RESID 857 (A):        N       122.805       122.805       122.423         0.382
RESID 857 (A):       HA         3.799         3.799         3.895        -0.096
RESID 857 (A):       CA        56.303        56.303        56.175         0.128
RESID 857 (A):       CB        17.944        17.944        18.297        -0.352
RESID 857 (A):        H         8.882         8.882         8.210         0.672
RESID 858 (E):        N       114.094       114.094       119.097        -5.003
RESID 858 (E):       HA         4.024         4.024         4.003         0.021
RESID 858 (E):       CA        58.682        58.682        58.804        -0.122
RESID 858 (E):       CB        28.639        28.639        28.963        -0.324
RESID 858 (E):        H         8.155         8.155         7.888         0.267
RESID 859 (Y):        N       120.665       120.665       122.136        -1.471
RESID 859 (Y):       HA         4.084         4.084         4.148        -0.064
RESID 859 (Y):       CA        61.006        61.006        60.761         0.245
RESID 859 (Y):       CB        38.687        38.687        38.145         0.542
RESID 859 (Y):        H         7.708         7.708         8.476        -0.768
RESID 860 (C):        N       115.812       115.812       117.944        -2.132
RESID 860 (C):       HA         4.158         4.158         3.330         0.828
RESID 860 (C):       CA        64.254        64.254        64.117         0.137
RESID 860 (C):       CB        27.304        27.304        27.165         0.140
RESID 860 (C):        H         8.113         8.113         7.761         0.352
RESID 861 (I):        N       120.078       120.078       119.906         0.172
RESID 861 (I):       HA         3.339         3.339         3.638        -0.299
RESID 861 (I):       CA        65.643        65.643        65.370         0.273
RESID 861 (I):       CB        38.714        38.714        37.656         1.058
RESID 861 (I):        H         8.453         8.453         8.155         0.298
RESID 862 (A):        N       116.691       116.691       121.688        -4.997
RESID 862 (A):       HA         4.209         4.209         4.021         0.188
RESID 862 (A):       CA        53.222        53.222        54.747        -1.525
RESID 862 (A):       CB        19.002        19.002        18.682         0.320
RESID 862 (A):        H         7.307         7.307         8.276        -0.969
RESID 863 (R):        N       117.226       117.226       115.836         1.390
RESID 863 (R):       HA         4.274         4.274         4.502        -0.228
RESID 863 (R):       CA        56.051        56.051        56.193        -0.142
RESID 863 (R):       CB        31.389        31.389        30.889         0.500
RESID 863 (R):        H         7.358         7.358         7.417        -0.059
RESID 864 (M):        N       117.583       117.583       118.759        -1.176
RESID 864 (M):       HA         4.561         4.561         4.441         0.119
RESID 864 (M):       CA        54.927        54.927        55.747        -0.820
RESID 864 (M):       CB        37.418        37.418        34.225         3.193
RESID 864 (M):        H         7.153         7.153         7.400        -0.247
RESID 865 (A):        N       124.643       124.643       125.409        -0.766
RESID 865 (A):       HA         3.866         3.866         4.643        -0.777
RESID 865 (A):       CA        49.194        49.194        49.615        -0.421
RESID 865 (A):       CB        18.647        18.647        18.406         0.241
RESID 865 (A):        H         8.557         8.557         8.131         0.426
RESID 866 (P):       HA         4.496         4.496         4.509        -0.013
RESID 866 (P):       CA        62.724        62.724        62.906        -0.182
RESID 866 (P):       CB        31.980        31.980        30.396         1.584
RESID 867 (Y):        N       122.461       122.461       125.800        -3.339
RESID 867 (Y):       HA         4.728         4.728         4.476         0.252
RESID 867 (Y):       CA        57.096        57.096        57.096         0.000
RESID 867 (Y):       CB        39.175        39.175        37.389         1.786
RESID 867 (Y):        H         8.128         8.128         8.097         0.031
RESID 868 (T):       HA         4.351         4.351         4.645        -0.294
RESID 868 (T):       CA        60.271        60.271        59.636         0.635
RESID 868 (T):       CB        68.737        68.737        71.412        -2.675
RESID 869 (G):       CA        44.914        44.914        45.281        -0.367
RESID 870 (P):       HA         4.329         4.329         4.465        -0.136
RESID 870 (P):       CA        64.697        64.697        64.050         0.647
RESID 870 (P):       CB        31.579        31.579        32.290        -0.711
RESID 871 (D):        N       116.207       116.207       117.828        -1.621
RESID 871 (D):       HA         4.604         4.604         4.707        -0.103
RESID 871 (D):       CA        52.749        52.749        54.160        -1.411
RESID 871 (D):       CB        38.929        38.929        40.955        -2.026
RESID 871 (D):        H         9.267         9.267         8.256         1.011
RESID 872 (S):        N       112.349       112.349       115.010        -2.661
RESID 872 (S):       HA         3.497         3.497         4.529        -1.032
RESID 872 (S):       CA        59.065        59.065        57.964         1.101
RESID 872 (S):       CB        63.125        63.125        65.027        -1.902
RESID 872 (S):        H         7.487         7.487         7.225         0.262
RESID 873 (V):        N       113.567       113.567       115.756        -2.189
RESID 873 (V):       HA         4.729         4.729         4.479         0.250
RESID 873 (V):       CA        58.044        58.044        58.531        -0.487
RESID 873 (V):       CB        32.911        32.911        31.728         1.183
RESID 873 (V):        H         6.411         6.411         8.055        -1.644
RESID 874 (P):       HA         4.296         4.296         4.445        -0.149
RESID 874 (P):       CA        64.335        64.335        63.606         0.729
RESID 874 (P):       CB        31.515        31.515        31.880        -0.365
RESID 875 (G):        N       112.118       112.118       107.300         4.818
RESID 875 (G):       CA        45.557        45.557        44.813         0.744
RESID 875 (G):        H         8.800         8.800         8.049         0.751
RESID 876 (A):        N       120.262       120.262       124.326        -4.064
RESID 876 (A):       HA         4.100         4.100         5.687        -1.587
RESID 876 (A):       CA        53.073        53.073        50.235         2.838
RESID 876 (A):       CB        20.508        20.508        21.793        -1.285
RESID 876 (A):        H         7.762         7.762         7.784        -0.022
RESID 877 (L):        N       125.695       125.695       120.955         4.740
RESID 877 (L):       HA         4.776         4.776         5.187        -0.411
RESID 877 (L):       CA        54.269        54.269        53.727         0.542
RESID 877 (L):       CB        44.799        44.799        47.147        -2.348
RESID 877 (L):        H         9.595         9.595         9.345         0.250
RESID 878 (D):        N       119.823       119.823       121.258        -1.435
RESID 878 (D):       HA         4.879         4.879         4.528         0.351
RESID 878 (D):       CA        51.997        51.997        52.211        -0.214
RESID 878 (D):       CB        40.781        40.781        41.479        -0.698
RESID 878 (D):        H         9.031         9.031         8.030         1.001
RESID 879 (Y):        N       126.556       126.556       123.513         3.043
RESID 879 (Y):       HA         4.591         4.591         3.891         0.700
RESID 879 (Y):       CA        59.396        59.396        59.673        -0.277
RESID 879 (Y):       CB        37.321        37.321        37.394        -0.073
RESID 879 (Y):        H         7.456         7.456         8.012        -0.556
RESID 880 (M):        N       119.958       119.958       114.593         5.365
RESID 880 (M):       HA         4.605         4.605         4.689        -0.084
RESID 880 (M):       CA        56.044        56.044        57.106        -1.062
RESID 880 (M):       CB        30.101        30.101        33.296        -3.195
RESID 880 (M):        H         7.627         7.627         7.376         0.251
RESID 881 (S):        N       114.328       114.328       115.919        -1.591
RESID 881 (S):       HA         4.471         4.471         4.578        -0.107
RESID 881 (S):       CA        58.917        58.917        57.271         1.646
RESID 881 (S):       CB        64.447        64.447        63.633         0.814
RESID 881 (S):        H         7.726         7.726         8.040        -0.314
RESID 882 (F):        N       122.735       122.735       120.206         2.529
RESID 882 (F):       HA         4.722         4.722         4.319         0.403
RESID 882 (F):       CA        59.231        59.231        57.492         1.739
RESID 882 (F):       CB        40.285        40.285        39.138         1.147
RESID 882 (F):        H         7.385         7.385         7.275         0.110
RESID 883 (S):        N       120.156       120.156       117.292         2.864
RESID 883 (S):       HA         4.299         4.299         4.348        -0.049
RESID 883 (S):       CA        57.280        57.280        58.497        -1.217
RESID 883 (S):       CB        64.601        64.601        64.079         0.522
RESID 883 (S):        H         7.472         7.472         8.221        -0.749
RESID 884 (T):        N       110.683       110.683       114.390        -3.707
RESID 884 (T):       HA         3.966         3.966         4.156        -0.190
RESID 884 (T):       CA        63.465        63.465        62.733         0.732
RESID 884 (T):       CB        68.899        68.899        69.134        -0.235
RESID 884 (T):        H         7.996         7.996         8.150        -0.154
RESID 885 (A):        N       125.456       125.456       124.204         1.252
RESID 885 (A):       HA         4.236         4.236         4.521        -0.285
RESID 885 (A):       CA        52.030        52.030        51.040         0.990
RESID 885 (A):       CB        19.225        19.225        20.391        -1.166
RESID 885 (A):        H         7.905         7.905         7.502         0.403
RESID 886 (L):        N       120.638       120.638       120.982        -0.344
RESID 886 (L):       HA         4.002         4.002         4.430        -0.428
RESID 886 (L):       CA        55.462        55.462        54.500         0.962
RESID 886 (L):       CB        42.265        42.265        43.239        -0.974
RESID 886 (L):        H         8.079         8.079         8.395        -0.316
RESID 887 (Y):        N       121.526       121.526       118.348         3.178
RESID 887 (Y):       HA         4.356         4.356         4.651        -0.295
RESID 887 (Y):       CA        58.750        58.750        57.280         1.470
RESID 887 (Y):       CB        38.569        38.569        35.925         2.644
RESID 887 (Y):        H         8.267         8.267         8.883        -0.616
RESID 888 (G):        N       112.379       112.379       109.869         2.510
RESID 888 (G):       CA        45.090        45.090        44.490         0.600
RESID 888 (G):        H         8.087         8.087         8.190        -0.103
RESID 889 (E):        N       120.255       120.255       120.672        -0.417
RESID 889 (E):       HA         4.256         4.256         4.240         0.016
RESID 889 (E):       CA        56.445        56.445        57.413        -0.969
RESID 889 (E):       CB        30.393        30.393        29.990         0.403
RESID 889 (E):        H         7.994         7.994         7.734         0.260
RESID 890 (S):        N       116.375       116.375       117.588        -1.213
RESID 890 (S):       HA         4.415         4.415         4.697        -0.282
RESID 890 (S):       CA        58.204        58.204        58.091         0.113
RESID 890 (S):       CB        63.913        63.913        63.759         0.154
RESID 890 (S):        H         8.329         8.329         8.443        -0.114
RESID 891 (D):        N       123.017       123.017       121.079         1.938
RESID 891 (D):       HA         4.610         4.610         5.288        -0.678
RESID 891 (D):       CA        54.371        54.371        53.674         0.697
RESID 891 (D):       CB        41.013        41.013        43.046        -2.033
RESID 891 (D):        H         8.394         8.394         8.219         0.175

                         N          HA           C          CA          CB           H
RESID 743 (I):      -1.223       0.345       -----      -1.911       0.566      -0.538
RESID 744 (S):       0.253      -0.237       -----       0.143      -0.441       0.445
RESID 745 (Q):       0.605      -0.197       -----      -0.276      -0.115       0.033
RESID 746 (E):      -0.543      -0.165       -----       1.464      -0.559       0.841
RESID 747 (Q):      -0.124      -0.547       -----      -0.326       0.289      -0.561
RESID 748 (M):       3.982      -0.270       -----      -0.919      -1.407       0.372
RESID 749 (N):      -1.115      -0.024       -----      -0.112      -1.371       0.493
RESID 750 (E):       4.098       0.053       -----       1.025      -0.582      -0.477
RESID 751 (F):      -2.842       0.671       -----      -0.966      -1.507       0.057
RESID 752 (R):      -0.090       0.339       -----       1.423       1.515       1.074
RESID 753 (A):      -1.351      -0.144       -----       0.657       0.083       0.250
RESID 754 (S):       0.180       0.260       -----       2.346       0.625       0.484
RESID 755 (F):       3.024      -0.345       -----       3.056       1.363       0.767
RESID 756 (N):      -0.205       0.340       -----       3.006      -1.402       0.979
RESID 757 (H):      -1.835      -0.193       -----      -0.186      -0.075       0.638
RESID 758 (F):      -3.218      -0.529       -----       2.243      -1.769       0.016
RESID 759 (D):      -0.642       0.044       -----      -2.735      -2.556      -0.517
RESID 760 (R):      -0.808      -0.324       -----      -0.458      -0.389      -0.546
RESID 761 (D):      -0.098      -0.237       -----      -1.505      -1.137      -0.319
RESID 762 (H):      -1.582      -0.052       -----      -0.416      -2.501      -0.189
RESID 763 (S):       1.196      -0.018       -----      -0.007       1.160       0.083
RESID 764 (G):       6.640       -----       -----      -0.145       -----       2.237
RESID 765 (T):      -3.404      -0.359       -----      -2.066       1.403      -0.457
RESID 766 (L):       0.094       0.248       -----      -1.355      -0.517       0.511
RESID 767 (G):      -0.042       -----       -----       0.289       -----       0.005
RESID 768 (P):       -----      -0.209       -----       0.860      -0.086       -----
RESID 769 (E):      -3.224      -0.120       -----       0.827      -0.900      -0.409
RESID 770 (E):       2.902       0.015       -----      -0.404       1.318      -0.403
RESID 771 (F):      -4.415       0.080       -----      -2.087      -0.643       0.171
RESID 772 (K):       1.584      -0.306       -----       2.307       1.160       0.452
RESID 773 (A):      -1.804      -0.172       -----       1.229      -1.368      -0.253
RESID 774 (C):       1.551      -0.300       -----      -0.163      -0.114      -0.129
RESID 775 (L):       0.678       0.274       -----       1.704       0.021       0.739
RESID 776 (I):       2.582       1.548       -----       1.002       0.764       1.739
RESID 777 (S):       6.160       0.109       -----       2.266      -0.311       0.508
RESID 778 (L):       3.373       0.112       -----       1.540       0.579       0.651
RESID 779 (G):      -1.219       -----       -----       0.060       -----       0.658
RESID 780 (Y):       2.975      -0.429       -----       4.363      -0.162       0.681
RESID 781 (D):       6.384       0.057       -----      -1.334      -0.961      -0.279
RESID 782 (I):       9.360      -0.139       -----      -0.094      -2.461       0.403
RESID 783 (G):       6.568       -----       -----      -0.220       -----      -0.022
RESID 784 (N):       0.577       0.201       -----      -1.204      -0.938      -0.058
RESID 785 (D):      -2.113       0.041       -----       0.095      -2.390       0.340
RESID 786 (P):       -----       0.014       -----       1.275      -0.127       -----
RESID 787 (Q):       0.438      -0.163       -----       1.045      -1.073      -0.607
RESID 788 (G):       4.822       -----       -----       0.389       -----       0.798
RESID 789 (E):      -0.037      -0.125       -----       0.008       0.072       0.101
RESID 790 (A):       0.382       0.043       -----      -0.225      -0.659       0.356
RESID 791 (E):       3.541       0.579       -----      -0.501      -0.431       0.391
RESID 792 (F):      -1.223      -0.230       -----       0.848       0.031      -0.074
RESID 793 (A):      -2.074       0.530       -----       0.453      -0.210       0.406
RESID 794 (R):       1.660      -0.074       -----       0.258      -0.103       0.403
RESID 795 (I):       0.711      -0.351       -----       0.708      -0.027       0.206
RESID 796 (M):       0.566       0.205       -----      -1.508      -1.682       0.290
RESID 797 (S):       1.692      -0.161       -----       0.710      -0.997       0.173
RESID 798 (I):       4.798      -0.279       -----       0.620       0.476      -0.223
RESID 799 (V):      -2.168       0.171       -----       2.084       1.690      -0.301
RESID 800 (D):      -1.234       0.082       -----       1.618      -0.610       0.806
RESID 801 (P):       -----      -0.080       -----       0.794      -0.348       -----
RESID 802 (N):      -0.214       0.018       -----       0.337      -2.027       1.322
RESID 803 (R):       1.171      -0.399       -----      -0.038      -0.824       0.105
RESID 804 (L):       6.629      -0.551       -----       2.019       1.238       2.397
RESID 805 (G):       2.993       -----       -----      -0.768       -----       2.402
RESID 806 (V):      -4.619       0.259       -----      -0.820       1.643      -0.190
RESID 807 (V):      -0.623      -0.278       -----       0.506       0.632       0.169
RESID 808 (T):       0.756      -0.046       -----       1.985      -0.566       0.489
RESID 809 (F):       3.511      -0.817       -----       0.325       0.652       1.232
RESID 810 (Q):      -0.549      -0.603       -----       0.750      -0.306       0.648
RESID 811 (A):      -0.738      -0.076       -----       1.126       0.369      -0.007
RESID 812 (F):       0.876      -0.386       -----      -0.360       0.990       0.035
RESID 813 (I):      -0.464      -0.874       -----       0.591      -0.175       0.531
RESID 814 (D):       3.009      -0.174       -----       0.265      -0.418       0.372
RESID 815 (F):       1.149      -0.230       -----       0.212       0.276       0.063
RESID 816 (M):      -1.814      -0.302       -----      -1.114      -1.913       0.200
RESID 817 (S):       1.932      -0.052       -----       0.620      -0.125      -0.205
RESID 818 (R):       0.339      -0.028       -----       0.952       1.204      -0.774
RESID 819 (E):       1.444       0.039       -----      -1.770       1.423       0.422
RESID 820 (T):       1.478       0.303       -----      -0.712       1.261       0.336
RESID 821 (A):       1.111      -0.214       -----       1.615      -1.956       0.616
RESID 822 (D):      -2.307       0.032       -----      -0.887      -0.274      -0.049
RESID 823 (T):      -2.840      -0.263       -----       1.532      -2.116       0.518
RESID 824 (D):       0.297       0.230       -----      -2.589       0.230      -0.474
RESID 825 (T):       3.493      -0.099       -----      -1.607       0.695      -0.354
RESID 826 (A):       0.578       0.017       -----       0.298       0.551       0.160
RESID 827 (D):       0.295       0.073       -----      -1.002      -0.412       0.312
RESID 828 (Q):       2.888      -0.024       -----      -0.171      -0.267       0.489
RESID 829 (V):       0.033      -0.306       -----       0.570      -0.115       0.730
RESID 830 (M):       2.230      -0.155       -----       2.777       2.074       0.272
RESID 831 (A):      -1.018       0.670       -----       0.551       0.191       0.507
RESID 832 (S):      -1.598       0.164       -----      -0.423      -0.129       0.111
RESID 833 (F):       3.163      -0.428       -----       1.239       0.831       0.464
RESID 834 (K):      -1.940      -0.071       -----       1.008       0.172      -0.211
RESID 835 (I):      -0.938      -0.017       -----      -0.684       0.088       0.201
RESID 836 (L):       2.458       0.122       -----       0.010       0.419      -0.354
RESID 837 (A):       0.682      -0.002       -----      -0.557       0.274       0.665
RESID 838 (G):       0.672       -----       -----      -0.071       -----      -0.845
RESID 839 (D):      -2.415      -0.214       -----       0.533      -1.665       0.566
RESID 840 (K):      -3.460      -0.064       -----      -0.266       0.649       0.125
RESID 841 (N):       0.285       0.027       -----      -0.493       0.025      -0.305
RESID 842 (Y):      -1.836       0.201       -----      -1.186       0.080      -0.663
RESID 843 (I):      -6.564       0.360       -----       0.665       0.249      -0.619
RESID 844 (T):      -1.437       0.164       -----      -0.535       0.513      -0.018
RESID 845 (M):      -0.877      -0.220       -----      -0.045       0.733      -0.175
RESID 846 (D):      -1.184      -0.203       -----       1.234       0.007      -0.267
RESID 847 (E):       2.065      -0.300       -----       0.688      -0.456       0.327
RESID 848 (L):      -0.573      -0.257       -----       0.972       0.390       0.297
RESID 849 (R):      -1.240      -0.581       -----       1.725       0.762       0.291
RESID 850 (R):      -0.435      -0.201       -----       0.503       0.101       0.260
RESID 851 (E):      -3.586       0.047       -----      -0.970       0.675      -0.198
RESID 852 (L):      -1.341      -0.504       -----       0.662       0.814      -0.050
RESID 853 (P):       -----      -0.077       -----       1.166       1.158       -----
RESID 854 (P):       -----      -0.222       -----       4.540      -0.938       -----
RESID 855 (D):      -4.151      -0.068       -----      -0.701      -1.719       0.554
RESID 856 (Q):       3.069      -0.087       -----      -1.037       0.988      -1.014
RESID 857 (A):       0.382      -0.096       -----       0.128      -0.352       0.672
RESID 858 (E):      -5.003       0.021       -----      -0.122      -0.324       0.267
RESID 859 (Y):      -1.471      -0.064       -----       0.245       0.542      -0.768
RESID 860 (C):      -2.132       0.828       -----       0.137       0.140       0.352
RESID 861 (I):       0.172      -0.299       -----       0.273       1.058       0.298
RESID 862 (A):      -4.997       0.188       -----      -1.525       0.320      -0.969
RESID 863 (R):       1.390      -0.228       -----      -0.142       0.500      -0.059
RESID 864 (M):      -1.176       0.119       -----      -0.820       3.193      -0.247
RESID 865 (A):      -0.766      -0.777       -----      -0.421       0.241       0.426
RESID 866 (P):       -----      -0.013       -----      -0.182       1.584       -----
RESID 867 (Y):      -3.339       0.252       -----       0.000       1.786       0.031
RESID 868 (T):       -----      -0.294       -----       0.635      -2.675       -----
RESID 869 (G):       -----       -----       -----      -0.367       -----       -----
RESID 870 (P):       -----      -0.136       -----       0.647      -0.711       -----
RESID 871 (D):      -1.621      -0.103       -----      -1.411      -2.026       1.011
RESID 872 (S):      -2.661      -1.032       -----       1.101      -1.902       0.262
RESID 873 (V):      -2.189       0.250       -----      -0.487       1.183      -1.644
RESID 874 (P):       -----      -0.149       -----       0.729      -0.365       -----
RESID 875 (G):       4.818       -----       -----       0.744       -----       0.751
RESID 876 (A):      -4.064      -1.587       -----       2.838      -1.285      -0.022
RESID 877 (L):       4.740      -0.411       -----       0.542      -2.348       0.250
RESID 878 (D):      -1.435       0.351       -----      -0.214      -0.698       1.001
RESID 879 (Y):       3.043       0.700       -----      -0.277      -0.073      -0.556
RESID 880 (M):       5.365      -0.084       -----      -1.062      -3.195       0.251
RESID 881 (S):      -1.591      -0.107       -----       1.646       0.814      -0.314
RESID 882 (F):       2.529       0.403       -----       1.739       1.147       0.110
RESID 883 (S):       2.864      -0.049       -----      -1.217       0.522      -0.749
RESID 884 (T):      -3.707      -0.190       -----       0.732      -0.235      -0.154
RESID 885 (A):       1.252      -0.285       -----       0.990      -1.166       0.403
RESID 886 (L):      -0.344      -0.428       -----       0.962      -0.974      -0.316
RESID 887 (Y):       3.178      -0.295       -----       1.470       2.644      -0.616
RESID 888 (G):       2.510       -----       -----       0.600       -----      -0.103
RESID 889 (E):      -0.417       0.016       -----      -0.969       0.403       0.260
RESID 890 (S):      -1.213      -0.282       -----       0.113       0.154      -0.114
RESID 891 (D):       1.938      -0.678       -----       0.697      -2.033       0.175

DATA CS_STAT_INFO  N  RMS:   2.728 ppm Count: 139 Average Difference: -0.292 +/- 2.722 ppm
DATA CS_STAT_INFO  HA RMS:   0.364 ppm Count: 160 Average Difference:  0.055 +/- 0.361 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   1.241 ppm Count: 150 Average Difference: -0.287 +/- 1.212 ppm
DATA CS_STAT_INFO  CB RMS:   1.137 ppm Count: 140 Average Difference:  0.130 +/- 1.134 ppm
DATA CS_STAT_INFO  HN RMS:   0.623 ppm Count: 139 Average Difference: -0.176 +/- 0.600 ppm


############################################################################
For conformer 9:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 742 (S):       HA         4.525         4.525         4.532        -0.007
RESID 742 (S):       CA        58.148        58.148        58.106         0.042
RESID 742 (S):       CB        63.791        63.791        63.345         0.446
RESID 743 (I):        N       122.172       122.172       122.612        -0.440
RESID 743 (I):       HA         4.362         4.362         4.040         0.322
RESID 743 (I):       CA        60.421        60.421        62.165        -1.744
RESID 743 (I):       CB        39.166        39.166        38.713         0.453
RESID 743 (I):        H         8.132         8.132         8.317        -0.185
RESID 744 (S):        N       123.144       123.144       119.908         3.236
RESID 744 (S):       HA         4.449         4.449         4.562        -0.113
RESID 744 (S):       CA        57.463        57.463        56.883         0.581
RESID 744 (S):       CB        65.219        65.219        64.903         0.315
RESID 744 (S):        H         8.848         8.848         8.486         0.362
RESID 745 (Q):        N       121.619       121.619       123.921        -2.302
RESID 745 (Q):       HA         3.952         3.952         4.095        -0.143
RESID 745 (Q):       CA        58.768        58.768        59.224        -0.456
RESID 745 (Q):       CB        28.512        28.512        28.731        -0.219
RESID 745 (Q):        H         9.042         9.042         8.987         0.055
RESID 746 (E):        N       118.648       118.648       119.498        -0.850
RESID 746 (E):       HA         4.004         4.004         4.130        -0.126
RESID 746 (E):       CA        60.223        60.223        58.922         1.301
RESID 746 (E):       CB        28.854        28.854        29.475        -0.621
RESID 746 (E):        H         8.721         8.721         7.741         0.980
RESID 747 (Q):        N       120.463       120.463       119.885         0.578
RESID 747 (Q):       HA         3.766         3.766         4.140        -0.374
RESID 747 (Q):       CA        58.306        58.306        59.067        -0.761
RESID 747 (Q):       CB        28.948        28.948        28.178         0.770
RESID 747 (Q):        H         7.838         7.838         8.482        -0.644
RESID 748 (M):        N       119.252       119.252       115.781         3.471
RESID 748 (M):       HA         4.200         4.200         4.413        -0.213
RESID 748 (M):       CA        58.096        58.096        59.398        -1.302
RESID 748 (M):       CB        30.900        30.900        32.356        -1.456
RESID 748 (M):        H         8.473         8.473         8.266         0.207
RESID 749 (N):        N       117.740       117.740       118.739        -0.999
RESID 749 (N):       HA         4.474         4.474         4.441         0.033
RESID 749 (N):       CA        55.795        55.795        56.102        -0.308
RESID 749 (N):       CB        37.413        37.413        38.547        -1.134
RESID 749 (N):        H         8.334         8.334         7.591         0.743
RESID 750 (E):        N       122.848       122.848       119.404         3.444
RESID 750 (E):       HA         4.204         4.204         4.111         0.093
RESID 750 (E):       CA        59.341        59.341        58.480         0.861
RESID 750 (E):       CB        29.184        29.184        29.546        -0.362
RESID 750 (E):        H         7.838         7.838         8.309        -0.471
RESID 751 (F):        N       120.177       120.177       122.886        -2.709
RESID 751 (F):       HA         5.021         5.021         4.383         0.638
RESID 751 (F):       CA        58.353        58.353        59.578        -1.225
RESID 751 (F):       CB        37.797        37.797        39.459        -1.662
RESID 751 (F):        H         8.785         8.785         8.732         0.053
RESID 752 (R):        N       120.528       120.528       120.440         0.088
RESID 752 (R):       HA         4.160         4.160         3.953         0.207
RESID 752 (R):       CA        59.704        59.704        58.285         1.419
RESID 752 (R):       CB        29.968        29.968        28.608         1.359
RESID 752 (R):        H         9.016         9.016         8.069         0.947
RESID 753 (A):        N       121.112       121.112       122.745        -1.633
RESID 753 (A):       HA         4.245         4.245         4.470        -0.225
RESID 753 (A):       CA        55.331        55.331        54.533         0.798
RESID 753 (A):       CB        17.823        17.823        17.842        -0.019
RESID 753 (A):        H         8.100         8.100         7.866         0.234
RESID 754 (S):        N       115.589       115.589       115.374         0.215
RESID 754 (S):       HA         4.452         4.452         4.268         0.184
RESID 754 (S):       CA        62.675        62.675        60.574         2.101
RESID 754 (S):       CB        63.359        63.359        62.384         0.975
RESID 754 (S):        H         8.391         8.391         7.879         0.512
RESID 755 (F):        N       121.886       121.886       118.478         3.408
RESID 755 (F):       HA         3.642         3.642         3.918        -0.276
RESID 755 (F):       CA        61.964        61.964        58.826         3.138
RESID 755 (F):       CB        39.822        39.822        38.075         1.747
RESID 755 (F):        H         8.675         8.675         7.747         0.928
RESID 756 (N):        N       113.618       113.618       113.766        -0.148
RESID 756 (N):       HA         4.427         4.427         4.082         0.345
RESID 756 (N):       CA        55.611        55.611        52.572         3.039
RESID 756 (N):       CB        37.838        37.838        38.089        -0.251
RESID 756 (N):        H         8.593         8.593         7.773         0.820
RESID 757 (H):        N       119.679       119.679       120.560        -0.881
RESID 757 (H):       HA         4.079         4.079         4.249        -0.170
RESID 757 (H):       CA        59.344        59.344        58.688         0.656
RESID 757 (H):       CB        29.889        29.889        29.901        -0.011
RESID 757 (H):        H         8.139         8.139         7.327         0.812
RESID 758 (F):        N       113.051       113.051       116.252        -3.201
RESID 758 (F):       HA         4.061         4.061         4.407        -0.346
RESID 758 (F):       CA        60.697        60.697        57.891         2.806
RESID 758 (F):       CB        38.735        38.735        40.307        -1.572
RESID 758 (F):        H         7.585         7.585         7.480         0.105
RESID 759 (D):        N       120.916       120.916       121.580        -0.664
RESID 759 (D):       HA         4.509         4.509         4.468         0.041
RESID 759 (D):       CA        52.171        52.171        54.807        -2.636
RESID 759 (D):       CB        38.009        38.009        40.609        -2.600
RESID 759 (D):        H         7.423         7.423         7.846        -0.423
RESID 760 (R):        N       124.819       124.819       125.823        -1.004
RESID 760 (R):       HA         3.768         3.768         4.070        -0.302
RESID 760 (R):       CA        58.275        58.275        58.565        -0.290
RESID 760 (R):       CB        30.249        30.249        30.614        -0.365
RESID 760 (R):        H         7.781         7.781         8.374        -0.593
RESID 761 (D):        N       113.673       113.673       114.414        -0.741
RESID 761 (D):       HA         4.483         4.483         4.739        -0.256
RESID 761 (D):       CA        51.977        51.977        53.744        -1.767
RESID 761 (D):       CB        39.522        39.522        41.153        -1.631
RESID 761 (D):        H         7.821         7.821         8.299        -0.478
RESID 762 (H):        N       114.966       114.966       118.103        -3.137
RESID 762 (H):       HA         4.161         4.161         4.153         0.008
RESID 762 (H):       CA        56.618        56.618        56.754        -0.136
RESID 762 (H):       CB        26.380        26.380        28.628        -2.248
RESID 762 (H):        H         7.744         7.744         8.089        -0.345
RESID 763 (S):        N       115.077       115.077       113.412         1.665
RESID 763 (S):       HA         4.336         4.336         4.327         0.009
RESID 763 (S):       CA        59.860        59.860        59.402         0.458
RESID 763 (S):       CB        65.192        65.192        64.471         0.721
RESID 763 (S):        H         8.726         8.726         8.200         0.526
RESID 764 (G):        N       116.915       116.915       111.193         5.722
RESID 764 (G):       CA        45.449        45.449        45.498        -0.049
RESID 764 (G):        H        11.017        11.017         8.668         2.349
RESID 765 (T):        N       107.334       107.334       110.968        -3.634
RESID 765 (T):       HA         4.829         4.829         5.255        -0.426
RESID 765 (T):       CA        58.759        58.759        60.944        -2.185
RESID 765 (T):       CB        73.383        73.383        71.907         1.476
RESID 765 (T):        H         7.693         7.693         8.183        -0.490
RESID 766 (L):        N       124.664       124.664       124.908        -0.244
RESID 766 (L):       HA         4.900         4.900         4.781         0.119
RESID 766 (L):       CA        52.339        52.339        53.711        -1.372
RESID 766 (L):       CB        42.339        42.339        42.928        -0.589
RESID 766 (L):        H         9.209         9.209         8.820         0.389
RESID 767 (G):        N       112.024       112.024       111.871         0.153
RESID 767 (G):       CA        44.123        44.123        43.770         0.353
RESID 767 (G):        H         8.910         8.910         8.881         0.029
RESID 768 (P):       HA         4.318         4.318         4.516        -0.198
RESID 768 (P):       CA        67.127        67.127        66.223         0.904
RESID 768 (P):       CB        32.029        32.029        32.096        -0.067
RESID 769 (E):        N       115.246       115.246       116.955        -1.709
RESID 769 (E):       HA         3.971         3.971         4.123        -0.152
RESID 769 (E):       CA        59.621        59.621        58.316         1.305
RESID 769 (E):       CB        28.628        28.628        29.025        -0.397
RESID 769 (E):        H         8.622         8.622         9.012        -0.390
RESID 770 (E):        N       121.127       121.127       117.910         3.217
RESID 770 (E):       HA         4.272         4.272         4.224         0.048
RESID 770 (E):       CA        58.497        58.497        58.397         0.100
RESID 770 (E):       CB        31.372        31.372        29.953         1.419
RESID 770 (E):        H         7.493         7.493         8.076        -0.583
RESID 771 (F):        N       117.688       117.688       122.185        -4.497
RESID 771 (F):       HA         4.355         4.355         4.275         0.080
RESID 771 (F):       CA        58.625        58.625        60.677        -2.052
RESID 771 (F):       CB        38.810        38.810        39.464        -0.654
RESID 771 (F):        H         9.110         9.110         8.979         0.131
RESID 772 (K):        N       119.789       119.789       118.438         1.351
RESID 772 (K):       HA         3.313         3.313         3.700        -0.387
RESID 772 (K):       CA        60.672        60.672        58.335         2.337
RESID 772 (K):       CB        31.979        31.979        30.875         1.104
RESID 772 (K):        H         8.594         8.594         8.117         0.477
RESID 773 (A):        N       118.461       118.461       120.470        -2.009
RESID 773 (A):       HA         3.881         3.881         3.997        -0.116
RESID 773 (A):       CA        55.013        55.013        53.800         1.214
RESID 773 (A):       CB        17.629        17.629        18.915        -1.286
RESID 773 (A):        H         7.231         7.231         7.550        -0.319
RESID 774 (C):        N       120.913       120.913       118.940         1.973
RESID 774 (C):       HA         2.435         2.435         3.115        -0.680
RESID 774 (C):       CA        61.174        61.174        61.946        -0.772
RESID 774 (C):       CB        26.215        26.215        26.261        -0.046
RESID 774 (C):        H         7.498         7.498         7.729        -0.231
RESID 775 (L):        N       119.201       119.201       118.416         0.785
RESID 775 (L):       HA         3.766         3.766         3.588         0.178
RESID 775 (L):       CA        57.932        57.932        56.232         1.700
RESID 775 (L):       CB        40.950        40.950        40.910         0.041
RESID 775 (L):        H         8.372         8.372         7.648         0.724
RESID 776 (I):        N       121.051       121.051       118.842         2.209
RESID 776 (I):       HA         4.090         4.090         2.710         1.380
RESID 776 (I):       CA        65.244        65.244        64.258         0.986
RESID 776 (I):       CB        37.991        37.991        37.065         0.926
RESID 776 (I):        H         8.358         8.358         6.737         1.621
RESID 777 (S):        N       119.109       119.109       114.652         4.457
RESID 777 (S):       HA         4.291         4.291         4.203         0.088
RESID 777 (S):       CA        61.725        61.725        60.330         1.395
RESID 777 (S):       CB        62.995        62.995        62.849         0.146
RESID 777 (S):        H         7.822         7.822         7.338         0.484
RESID 778 (L):        N       121.208       121.208       117.731         3.477
RESID 778 (L):       HA         4.506         4.506         4.474         0.032
RESID 778 (L):       CA        54.999        54.999        53.794         1.205
RESID 778 (L):       CB        42.670        42.670        42.465         0.205
RESID 778 (L):        H         7.671         7.671         7.195         0.476
RESID 779 (G):        N       106.232       106.232       107.316        -1.084
RESID 779 (G):       CA        45.287        45.287        45.063         0.224
RESID 779 (G):        H         7.897         7.897         7.305         0.592
RESID 780 (Y):        N       120.772       120.772       119.673         1.099
RESID 780 (Y):       HA         4.142         4.142         4.587        -0.445
RESID 780 (Y):       CA        59.231        59.231        55.010         4.221
RESID 780 (Y):       CB        38.341        38.341        38.636        -0.295
RESID 780 (Y):        H         8.072         8.072         7.493         0.579
RESID 781 (D):        N       124.304       124.304       118.551         5.753
RESID 781 (D):       HA         4.665         4.665         4.713        -0.048
RESID 781 (D):       CA        53.148        53.148        53.879        -0.731
RESID 781 (D):       CB        39.804        39.804        40.233        -0.429
RESID 781 (D):        H         8.862         8.862         8.995        -0.133
RESID 782 (I):        N       122.271       122.271       112.492         9.779
RESID 782 (I):       HA         4.341         4.341         4.472        -0.131
RESID 782 (I):       CA        58.992        58.992        58.997        -0.005
RESID 782 (I):       CB        37.907        37.907        41.973        -4.066
RESID 782 (I):        H         7.344         7.344         6.904         0.440
RESID 783 (G):        N       112.322       112.322       107.027         5.295
RESID 783 (G):       CA        44.523        44.523        44.214         0.309
RESID 783 (G):        H         8.122         8.122         8.201        -0.079
RESID 784 (N):        N       118.727       118.727       117.914         0.813
RESID 784 (N):       HA         4.882         4.882         4.804         0.078
RESID 784 (N):       CA        52.098        52.098        52.923        -0.825
RESID 784 (N):       CB        37.424        37.424        38.992        -1.568
RESID 784 (N):        H         8.452         8.452         8.567        -0.115
RESID 785 (D):        N       119.826       119.826       120.095        -0.269
RESID 785 (D):       HA         4.778         4.778         4.642         0.136
RESID 785 (D):       CA        52.164        52.164        53.409        -1.245
RESID 785 (D):       CB        39.657        39.657        40.939        -1.282
RESID 785 (D):        H         8.145         8.145         7.707         0.438
RESID 786 (P):       HA         4.271         4.271         4.213         0.058
RESID 786 (P):       CA        66.265        66.265        65.373         0.892
RESID 786 (P):       CB        32.011        32.011        32.156        -0.145
RESID 787 (Q):        N       118.097       118.097       118.478        -0.381
RESID 787 (Q):       HA         4.141         4.141         4.286        -0.145
RESID 787 (Q):       CA        59.115        59.115        58.202         0.913
RESID 787 (Q):       CB        27.732        27.732        27.791        -0.059
RESID 787 (Q):        H         8.409         8.409         8.629        -0.220
RESID 788 (G):        N       113.421       113.421       108.961         4.460
RESID 788 (G):       CA        47.317        47.317        46.651         0.666
RESID 788 (G):        H         8.644         8.644         8.495         0.149
RESID 789 (E):        N       121.223       121.223       121.522        -0.299
RESID 789 (E):       HA         4.148         4.148         4.218        -0.070
RESID 789 (E):       CA        59.344        59.344        59.690        -0.346
RESID 789 (E):       CB        29.435        29.435        29.488        -0.053
RESID 789 (E):        H         8.514         8.514         8.674        -0.160
RESID 790 (A):        N       122.879       122.879       122.255         0.624
RESID 790 (A):       HA         4.247         4.247         4.213         0.034
RESID 790 (A):       CA        54.907        54.907        55.109        -0.202
RESID 790 (A):       CB        17.780        17.780        18.455        -0.675
RESID 790 (A):        H         8.024         8.024         7.547         0.477
RESID 791 (E):        N       122.622       122.622       119.132         3.490
RESID 791 (E):       HA         4.687         4.687         4.137         0.550
RESID 791 (E):       CA        58.134        58.134        58.596        -0.462
RESID 791 (E):       CB        29.061        29.061        29.545        -0.484
RESID 791 (E):        H         8.280         8.280         7.761         0.519
RESID 792 (F):        N       119.949       119.949       121.618        -1.669
RESID 792 (F):       HA         4.038         4.038         4.214        -0.176
RESID 792 (F):       CA        61.812        61.812        61.237         0.575
RESID 792 (F):       CB        38.598        38.598        38.552         0.046
RESID 792 (F):        H         8.722         8.722         8.854        -0.132
RESID 793 (A):        N       119.652       119.652       121.549        -1.897
RESID 793 (A):       HA         3.854         3.854         3.390         0.464
RESID 793 (A):       CA        54.902        54.902        54.520         0.382
RESID 793 (A):       CB        17.628        17.628        17.913        -0.285
RESID 793 (A):        H         8.163         8.163         7.771         0.392
RESID 794 (R):        N       121.092       121.092       119.523         1.569
RESID 794 (R):       HA         3.910         3.910         4.019        -0.109
RESID 794 (R):       CA        59.471        59.471        59.018         0.453
RESID 794 (R):       CB        30.092        30.092        30.093        -0.001
RESID 794 (R):        H         8.034         8.034         7.853         0.181
RESID 795 (I):        N       121.394       121.394       120.435         0.959
RESID 795 (I):       HA         3.388         3.388         3.754        -0.366
RESID 795 (I):       CA        65.848        65.848        65.218         0.630
RESID 795 (I):       CB        38.209        38.209        38.224        -0.015
RESID 795 (I):        H         8.049         8.049         8.205        -0.156
RESID 796 (M):        N       119.012       119.012       118.777         0.235
RESID 796 (M):       HA         4.155         4.155         3.934         0.221
RESID 796 (M):       CA        56.470        56.470        58.155        -1.685
RESID 796 (M):       CB        29.892        29.892        31.534        -1.642
RESID 796 (M):        H         8.589         8.589         8.205         0.384
RESID 797 (S):        N       114.132       114.132       112.890         1.242
RESID 797 (S):       HA         4.097         4.097         4.269        -0.172
RESID 797 (S):       CA        61.231        61.231        60.028         1.203
RESID 797 (S):       CB        62.895        62.895        63.417        -0.522
RESID 797 (S):        H         7.732         7.732         7.552         0.180
RESID 798 (I):        N       120.873       120.873       116.568         4.305
RESID 798 (I):       HA         3.818         3.818         4.190        -0.372
RESID 798 (I):       CA        63.875        63.875        63.042         0.833
RESID 798 (I):       CB        38.863        38.863        38.927        -0.064
RESID 798 (I):        H         7.352         7.352         7.722        -0.370
RESID 799 (V):        N       110.552       110.552       112.829        -2.277
RESID 799 (V):       HA         4.243         4.243         4.077         0.166
RESID 799 (V):       CA        62.616        62.616        60.760         1.856
RESID 799 (V):       CB        32.416        32.416        30.863         1.553
RESID 799 (V):        H         7.648         7.648         7.908        -0.260
RESID 800 (D):        N       119.435       119.435       120.370        -0.935
RESID 800 (D):       HA         5.225         5.225         5.101         0.124
RESID 800 (D):       CA        51.715        51.715        50.158         1.557
RESID 800 (D):       CB        41.086        41.086        41.406        -0.320
RESID 800 (D):        H         8.074         8.074         7.412         0.662
RESID 801 (P):       HA         4.331         4.331         4.431        -0.100
RESID 801 (P):       CA        64.819        64.819        64.035         0.784
RESID 801 (P):       CB        31.689        31.689        32.005        -0.316
RESID 802 (N):        N       115.164       115.164       115.810        -0.646
RESID 802 (N):       HA         4.760         4.760         4.759         0.001
RESID 802 (N):       CA        52.998        52.998        52.918         0.080
RESID 802 (N):       CB        37.952        37.952        39.657        -1.705
RESID 802 (N):        H         8.949         8.949         7.656         1.293
RESID 803 (R):        N       117.446       117.446       116.284         1.162
RESID 803 (R):       HA         3.830         3.830         4.170        -0.340
RESID 803 (R):       CA        56.888        56.888        57.026        -0.138
RESID 803 (R):       CB        26.354        26.354        27.476        -1.122
RESID 803 (R):        H         7.958         7.958         7.894         0.064
RESID 804 (L):        N       123.307       123.307       116.541         6.766
RESID 804 (L):       HA         4.156         4.156         4.718        -0.562
RESID 804 (L):       CA        56.373        56.373        54.533         1.839
RESID 804 (L):       CB        42.930        42.930        42.038         0.892
RESID 804 (L):        H        10.591        10.591         8.156         2.435
RESID 805 (G):        N       110.516       110.516       107.569         2.947
RESID 805 (G):       CA        44.944        44.944        45.778        -0.834
RESID 805 (G):        H        11.001        11.001         8.703         2.298
RESID 806 (V):        N       109.840       109.840       115.372        -5.532
RESID 806 (V):       HA         4.571         4.571         4.330         0.241
RESID 806 (V):       CA        58.566        58.566        60.219        -1.653
RESID 806 (V):       CB        36.853        36.853        35.169         1.683
RESID 806 (V):        H         6.831         6.831         7.081        -0.250
RESID 807 (V):        N       122.184       122.184       122.756        -0.572
RESID 807 (V):       HA         4.167         4.167         4.413        -0.246
RESID 807 (V):       CA        61.644        61.644        61.307         0.337
RESID 807 (V):       CB        32.383        32.383        31.776         0.607
RESID 807 (V):        H         9.007         9.007         8.893         0.114
RESID 808 (T):        N       117.391       117.391       118.177        -0.786
RESID 808 (T):       HA         4.593         4.593         4.688        -0.095
RESID 808 (T):       CA        60.615        60.615        58.683         1.932
RESID 808 (T):       CB        70.695        70.695        71.371        -0.676
RESID 808 (T):        H         7.925         7.925         7.637         0.288
RESID 809 (F):        N       122.236       122.236       118.967         3.269
RESID 809 (F):       HA         3.640         3.640         4.486        -0.846
RESID 809 (F):       CA        61.749        61.749        61.354         0.395
RESID 809 (F):       CB        38.177        38.177        37.530         0.647
RESID 809 (F):        H         9.349         9.349         8.192         1.157
RESID 810 (Q):        N       116.788       116.788       116.659         0.129
RESID 810 (Q):       HA         3.598         3.598         4.216        -0.619
RESID 810 (Q):       CA        58.582        58.582        57.779         0.803
RESID 810 (Q):       CB        28.199        28.199        28.573        -0.374
RESID 810 (Q):        H         8.572         8.572         7.836         0.736
RESID 811 (A):        N       121.208       121.208       121.822        -0.614
RESID 811 (A):       HA         4.119         4.119         4.222        -0.103
RESID 811 (A):       CA        54.911        54.911        53.692         1.219
RESID 811 (A):       CB        19.265        19.265        19.032         0.233
RESID 811 (A):        H         7.667         7.667         7.710        -0.043
RESID 812 (F):        N       119.805       119.805       118.841         0.964
RESID 812 (F):       HA         3.980         3.980         4.397        -0.417
RESID 812 (F):       CA        61.740        61.740        62.047        -0.307
RESID 812 (F):       CB        39.670        39.670        38.752         0.918
RESID 812 (F):        H         8.400         8.400         8.336         0.064
RESID 813 (I):        N       118.098       118.098       118.627        -0.529
RESID 813 (I):       HA         3.146         3.146         3.974        -0.828
RESID 813 (I):       CA        63.299        63.299        62.645         0.654
RESID 813 (I):       CB        36.202        36.202        36.342        -0.140
RESID 813 (I):        H         8.364         8.364         7.878         0.486
RESID 814 (D):        N       123.528       123.528       120.625         2.903
RESID 814 (D):       HA         4.196         4.196         4.335        -0.139
RESID 814 (D):       CA        57.680        57.680        57.903        -0.223
RESID 814 (D):       CB        40.236        40.236        40.818        -0.582
RESID 814 (D):        H         8.221         8.221         7.867         0.354
RESID 815 (F):        N       120.584       120.584       120.133         0.451
RESID 815 (F):       HA         4.129         4.129         4.417        -0.288
RESID 815 (F):       CA        61.084        61.084        60.489         0.595
RESID 815 (F):       CB        39.698        39.698        39.631         0.067
RESID 815 (F):        H         7.887         7.887         7.864         0.023
RESID 816 (M):        N       116.960       116.960       119.164        -2.204
RESID 816 (M):       HA         3.782         3.782         4.030        -0.248
RESID 816 (M):       CA        55.662        55.662        57.114        -1.452
RESID 816 (M):       CB        30.033        30.033        31.453        -1.419
RESID 816 (M):        H         8.372         8.372         8.005         0.367
RESID 817 (S):        N       114.277       114.277       113.753         0.524
RESID 817 (S):       HA         4.194         4.194         4.349        -0.155
RESID 817 (S):       CA        60.521        60.521        60.609        -0.088
RESID 817 (S):       CB        63.185        63.185        63.069         0.116
RESID 817 (S):        H         8.074         8.074         8.392        -0.318
RESID 818 (R):        N       121.493       121.493       120.058         1.435
RESID 818 (R):       HA         4.124         4.124         4.110         0.014
RESID 818 (R):       CA        57.684        57.684        58.175        -0.491
RESID 818 (R):       CB        30.315        30.315        29.857         0.458
RESID 818 (R):        H         7.288         7.288         7.713        -0.425
RESID 819 (E):        N       119.737       119.737       117.715         2.022
RESID 819 (E):       HA         4.101         4.101         4.101        -0.000
RESID 819 (E):       CA        57.066        57.066        58.300        -1.234
RESID 819 (E):       CB        30.491        30.491        28.959         1.532
RESID 819 (E):        H         8.045         8.045         7.576         0.469
RESID 820 (T):        N       112.128       112.128       108.926         3.202
RESID 820 (T):       HA         4.280         4.280         4.011         0.269
RESID 820 (T):       CA        62.055        62.055        62.093        -0.038
RESID 820 (T):       CB        69.828        69.828        68.847         0.981
RESID 820 (T):        H         7.760         7.760         7.374         0.386
RESID 821 (A):        N       126.098       126.098       123.086         3.012
RESID 821 (A):       HA         4.284         4.284         4.525        -0.241
RESID 821 (A):       CA        52.726        52.726        51.112         1.614
RESID 821 (A):       CB        19.304        19.304        21.110        -1.806
RESID 821 (A):        H         7.957         7.957         7.165         0.792
RESID 822 (D):        N       119.904       119.904       120.950        -1.046
RESID 822 (D):       HA         4.613         4.613         4.595         0.018
RESID 822 (D):       CA        54.335        54.335        55.170        -0.835
RESID 822 (D):       CB        41.032        41.032        41.445        -0.413
RESID 822 (D):        H         8.352         8.352         8.407        -0.055
RESID 823 (T):        N       114.142       114.142       114.223        -0.081
RESID 823 (T):       HA         4.278         4.278         4.758        -0.480
RESID 823 (T):       CA        62.117        62.117        60.416         1.701
RESID 823 (T):       CB        69.584        69.584        72.477        -2.893
RESID 823 (T):        H         8.079         8.079         8.315        -0.236
RESID 824 (D):        N       123.261       123.261       120.085         3.176
RESID 824 (D):       HA         4.657         4.657         4.568         0.089
RESID 824 (D):       CA        54.786        54.786        56.282        -1.496
RESID 824 (D):       CB        41.085        41.085        40.851         0.234
RESID 824 (D):        H         8.431         8.431         8.919        -0.488
RESID 825 (T):        N       114.932       114.932       112.810         2.122
RESID 825 (T):       HA         4.161         4.161         4.192        -0.031
RESID 825 (T):       CA        63.109        63.109        64.618        -1.509
RESID 825 (T):       CB        69.455        69.455        68.592         0.863
RESID 825 (T):        H         8.155         8.155         8.575        -0.420
RESID 826 (A):        N       124.961       124.961       124.667         0.294
RESID 826 (A):       HA         4.160         4.160         4.072         0.088
RESID 826 (A):       CA        54.392        54.392        54.158         0.234
RESID 826 (A):       CB        18.610        18.610        18.074         0.536
RESID 826 (A):        H         8.379         8.379         8.200         0.179
RESID 827 (D):        N       117.765       117.765       117.693         0.072
RESID 827 (D):       HA         4.425         4.425         4.368         0.057
RESID 827 (D):       CA        56.051        56.051        57.098        -1.047
RESID 827 (D):       CB        40.559        40.559        41.039        -0.480
RESID 827 (D):        H         8.250         8.250         7.790         0.460
RESID 828 (Q):        N       120.523       120.523       117.738         2.785
RESID 828 (Q):       HA         4.091         4.091         4.102        -0.011
RESID 828 (Q):       CA        57.814        57.814        58.196        -0.382
RESID 828 (Q):       CB        28.549        28.549        28.957        -0.408
RESID 828 (Q):        H         8.076         8.076         7.704         0.372
RESID 829 (V):        N       120.970       120.970       121.332        -0.362
RESID 829 (V):       HA         3.525         3.525         3.769        -0.244
RESID 829 (V):       CA        65.194        65.194        64.472         0.722
RESID 829 (V):       CB        31.541        31.541        31.935        -0.394
RESID 829 (V):        H         8.051         8.051         7.447         0.604
RESID 830 (M):        N       119.572       119.572       117.818         1.754
RESID 830 (M):       HA         4.006         4.006         3.433         0.573
RESID 830 (M):       CA        57.977        57.977        57.877         0.100
RESID 830 (M):       CB        31.995        31.995        31.741         0.254
RESID 830 (M):        H         8.110         8.110         7.945         0.165
RESID 831 (A):        N       121.059       121.059       121.984        -0.925
RESID 831 (A):       HA         4.045         4.045         3.999         0.046
RESID 831 (A):       CA        54.501        54.501        54.675        -0.174
RESID 831 (A):       CB        18.067        18.067        17.787         0.280
RESID 831 (A):        H         7.836         7.836         7.464         0.372
RESID 832 (S):        N       114.256       114.256       115.656        -1.400
RESID 832 (S):       HA         4.141         4.141         4.057         0.084
RESID 832 (S):       CA        60.845        60.845        61.289        -0.444
RESID 832 (S):       CB        62.613        62.613        62.661        -0.048
RESID 832 (S):        H         7.714         7.714         7.677         0.037
RESID 833 (F):        N       121.847       121.847       121.158         0.689
RESID 833 (F):       HA         3.823         3.823         4.226        -0.403
RESID 833 (F):       CA        58.627        58.627        59.036        -0.409
RESID 833 (F):       CB        38.127        38.127        37.328         0.799
RESID 833 (F):        H         7.740         7.740         7.367         0.373
RESID 834 (K):        N       118.759       118.759       119.967        -1.208
RESID 834 (K):       HA         3.589         3.589         3.602        -0.013
RESID 834 (K):       CA        59.384        59.384        58.374         1.010
RESID 834 (K):       CB        32.143        32.143        31.850         0.293
RESID 834 (K):        H         7.843         7.843         7.758         0.085
RESID 835 (I):        N       118.537       118.537       120.089        -1.552
RESID 835 (I):       HA         3.736         3.736         3.745        -0.009
RESID 835 (I):       CA        63.714        63.714        64.527        -0.813
RESID 835 (I):       CB        37.825        37.825        38.070        -0.245
RESID 835 (I):        H         7.315         7.315         7.403        -0.088
RESID 836 (L):        N       121.201       121.201       120.263         0.938
RESID 836 (L):       HA         3.955         3.955         3.857         0.098
RESID 836 (L):       CA        57.074        57.074        57.222        -0.148
RESID 836 (L):       CB        42.415        42.415        42.045         0.369
RESID 836 (L):        H         7.625         7.625         8.067        -0.442
RESID 837 (A):        N       119.184       119.184       117.428         1.756
RESID 837 (A):       HA         3.895         3.895         3.944        -0.049
RESID 837 (A):       CA        53.301        53.301        53.641        -0.340
RESID 837 (A):       CB        19.338        19.338        19.298         0.040
RESID 837 (A):        H         8.099         8.099         7.669         0.430
RESID 838 (G):        N       107.030       107.030       107.361        -0.331
RESID 838 (G):       CA        46.918        46.918        46.344         0.574
RESID 838 (G):        H         7.676         7.676         7.976        -0.300
RESID 839 (D):        N       122.291       122.291       124.958        -2.667
RESID 839 (D):       HA         4.477         4.477         4.859        -0.382
RESID 839 (D):       CA        54.511        54.511        53.075         1.436
RESID 839 (D):       CB        40.181        40.181        41.931        -1.750
RESID 839 (D):        H         8.704         8.704         8.358         0.346
RESID 840 (K):        N       117.582       117.582       120.232        -2.650
RESID 840 (K):       HA         4.301         4.301         4.366        -0.065
RESID 840 (K):       CA        55.780        55.780        56.110        -0.330
RESID 840 (K):       CB        33.710        33.710        32.861         0.849
RESID 840 (K):        H         7.583         7.583         7.425         0.158
RESID 841 (N):        N       116.678       116.678       116.549         0.129
RESID 841 (N):       HA         4.611         4.611         4.547         0.064
RESID 841 (N):       CA        53.466        53.466        54.349        -0.883
RESID 841 (N):       CB        39.155        39.155        38.996         0.159
RESID 841 (N):        H         8.693         8.693         9.000        -0.307
RESID 842 (Y):        N       112.236       112.236       113.605        -1.369
RESID 842 (Y):       HA         4.986         4.986         4.829         0.157
RESID 842 (Y):       CA        54.918        54.918        56.346        -1.428
RESID 842 (Y):       CB        40.595        40.595        40.255         0.340
RESID 842 (Y):        H         6.637         6.637         7.294        -0.657
RESID 843 (I):        N       115.475       115.475       121.446        -5.971
RESID 843 (I):       HA         4.792         4.792         4.614         0.178
RESID 843 (I):       CA        58.957        58.957        58.418         0.539
RESID 843 (I):       CB        43.009        43.009        42.952         0.057
RESID 843 (I):        H         8.630         8.630         9.270        -0.640
RESID 844 (T):        N       117.169       117.169       118.625        -1.456
RESID 844 (T):       HA         5.370         5.370         5.228         0.142
RESID 844 (T):       CA        60.177        60.177        60.337        -0.160
RESID 844 (T):       CB        71.088        71.088        70.470         0.618
RESID 844 (T):        H         9.330         9.330         9.285         0.045
RESID 845 (M):        N       119.860       119.860       120.290        -0.430
RESID 845 (M):       HA         3.824         3.824         3.973        -0.149
RESID 845 (M):       CA        60.321        60.321        60.669        -0.348
RESID 845 (M):       CB        33.030        33.030        32.194         0.836
RESID 845 (M):        H         8.556         8.556         8.762        -0.206
RESID 846 (D):        N       116.363       116.363       117.469        -1.106
RESID 846 (D):       HA         4.280         4.280         4.440        -0.160
RESID 846 (D):       CA        57.404        57.404        56.523         0.881
RESID 846 (D):       CB        40.584        40.584        40.258         0.326
RESID 846 (D):        H         8.377         8.377         8.657        -0.280
RESID 847 (E):        N       120.577       120.577       118.800         1.777
RESID 847 (E):       HA         3.854         3.854         4.160        -0.306
RESID 847 (E):       CA        59.657        59.657        58.626         1.031
RESID 847 (E):       CB        29.660        29.660        30.158        -0.498
RESID 847 (E):        H         7.855         7.855         7.561         0.294
RESID 848 (L):        N       118.714       118.714       119.695        -0.981
RESID 848 (L):       HA         3.822         3.822         4.056        -0.234
RESID 848 (L):       CA        58.725        58.725        57.679         1.046
RESID 848 (L):       CB        42.457        42.457        41.900         0.557
RESID 848 (L):        H         7.849         7.849         7.570         0.279
RESID 849 (R):        N       113.972       113.972       115.556        -1.584
RESID 849 (R):       HA         3.924         3.924         4.379        -0.455
RESID 849 (R):       CA        58.595        58.595        57.755         0.840
RESID 849 (R):       CB        30.100        30.100        29.608         0.492
RESID 849 (R):        H         8.053         8.053         8.028         0.025
RESID 850 (R):        N       118.178       118.178       119.111        -0.933
RESID 850 (R):       HA         4.193         4.193         4.339        -0.146
RESID 850 (R):       CA        58.245        58.245        57.973         0.272
RESID 850 (R):       CB        31.120        31.120        31.138        -0.018
RESID 850 (R):        H         7.743         7.743         7.607         0.136
RESID 851 (E):        N       115.518       115.518       118.360        -2.842
RESID 851 (E):       HA         4.350         4.350         4.265         0.085
RESID 851 (E):       CA        56.886        56.886        58.213        -1.327
RESID 851 (E):       CB        31.590        31.590        30.526         1.064
RESID 851 (E):        H         7.596         7.596         7.834        -0.238
RESID 852 (L):        N       119.148       119.148       121.721        -2.573
RESID 852 (L):       HA         4.894         4.894         5.240        -0.346
RESID 852 (L):       CA        52.174        52.174        50.892         1.282
RESID 852 (L):       CB        42.469        42.469        41.175         1.294
RESID 852 (L):        H         7.890         7.890         7.962        -0.072
RESID 853 (P):       HA         4.347         4.347         4.439        -0.092
RESID 853 (P):       CA        65.119        65.119        64.155         0.964
RESID 853 (P):       CB        31.631        31.631        30.909         0.722
RESID 854 (P):       HA         4.270         4.270         4.499        -0.229
RESID 854 (P):       CA        66.336        66.336        61.795         4.541
RESID 854 (P):       CB        32.256        32.256        33.195        -0.939
RESID 855 (D):        N       114.865       114.865       118.733        -3.868
RESID 855 (D):       HA         4.349         4.349         4.502        -0.153
RESID 855 (D):       CA        56.913        56.913        57.799        -0.886
RESID 855 (D):       CB        39.244        39.244        40.391        -1.147
RESID 855 (D):        H         8.801         8.801         8.269         0.532
RESID 856 (Q):        N       121.465       121.465       118.829         2.636
RESID 856 (Q):       HA         4.199         4.199         4.286        -0.087
RESID 856 (Q):       CA        58.317        58.317        59.652        -1.335
RESID 856 (Q):       CB        29.247        29.247        28.178         1.069
RESID 856 (Q):        H         7.472         7.472         8.529        -1.057
RESID 857 (A):        N       122.805       122.805       122.582         0.223
RESID 857 (A):       HA         3.799         3.799         3.902        -0.103
RESID 857 (A):       CA        56.303        56.303        56.206         0.097
RESID 857 (A):       CB        17.944        17.944        18.291        -0.346
RESID 857 (A):        H         8.882         8.882         8.235         0.647
RESID 858 (E):        N       114.094       114.094       118.819        -4.725
RESID 858 (E):       HA         4.024         4.024         3.985         0.039
RESID 858 (E):       CA        58.682        58.682        58.753        -0.071
RESID 858 (E):       CB        28.639        28.639        28.948        -0.309
RESID 858 (E):        H         8.155         8.155         7.913         0.242
RESID 859 (Y):        N       120.665       120.665       122.223        -1.558
RESID 859 (Y):       HA         4.084         4.084         4.123        -0.039
RESID 859 (Y):       CA        61.006        61.006        60.784         0.222
RESID 859 (Y):       CB        38.687        38.687        38.142         0.544
RESID 859 (Y):        H         7.708         7.708         8.410        -0.702
RESID 860 (C):        N       115.812       115.812       116.842        -1.030
RESID 860 (C):       HA         4.158         4.158         3.246         0.912
RESID 860 (C):       CA        64.254        64.254        64.001         0.253
RESID 860 (C):       CB        27.304        27.304        26.808         0.496
RESID 860 (C):        H         8.113         8.113         7.701         0.412
RESID 861 (I):        N       120.078       120.078       119.830         0.248
RESID 861 (I):       HA         3.339         3.339         3.561        -0.222
RESID 861 (I):       CA        65.643        65.643        65.285         0.358
RESID 861 (I):       CB        38.714        38.714        37.576         1.138
RESID 861 (I):        H         8.453         8.453         7.963         0.490
RESID 862 (A):        N       116.691       116.691       121.249        -4.558
RESID 862 (A):       HA         4.209         4.209         4.017         0.192
RESID 862 (A):       CA        53.222        53.222        54.555        -1.333
RESID 862 (A):       CB        19.002        19.002        18.583         0.419
RESID 862 (A):        H         7.307         7.307         8.296        -0.989
RESID 863 (R):        N       117.226       117.226       114.561         2.665
RESID 863 (R):       HA         4.274         4.274         4.629        -0.355
RESID 863 (R):       CA        56.051        56.051        55.423         0.628
RESID 863 (R):       CB        31.389        31.389        30.964         0.425
RESID 863 (R):        H         7.358         7.358         7.525        -0.167
RESID 864 (M):        N       117.583       117.583       118.923        -1.340
RESID 864 (M):       HA         4.561         4.561         4.390         0.171
RESID 864 (M):       CA        54.927        54.927        55.905        -0.978
RESID 864 (M):       CB        37.418        37.418        34.105         3.313
RESID 864 (M):        H         7.153         7.153         7.257        -0.104
RESID 865 (A):        N       124.643       124.643       126.311        -1.668
RESID 865 (A):       HA         3.866         3.866         4.635        -0.769
RESID 865 (A):       CA        49.194        49.194        50.071        -0.877
RESID 865 (A):       CB        18.647        18.647        18.498         0.149
RESID 865 (A):        H         8.557         8.557         8.278         0.279
RESID 866 (P):       HA         4.496         4.496         4.516        -0.020
RESID 866 (P):       CA        62.724        62.724        62.880        -0.156
RESID 866 (P):       CB        31.980        31.980        30.377         1.603
RESID 867 (Y):        N       122.461       122.461       127.332        -4.871
RESID 867 (Y):       HA         4.728         4.728         4.559         0.169
RESID 867 (Y):       CA        57.096        57.096        57.039         0.057
RESID 867 (Y):       CB        39.175        39.175        38.199         0.976
RESID 867 (Y):        H         8.128         8.128         8.090         0.038
RESID 868 (T):       HA         4.351         4.351         4.538        -0.187
RESID 868 (T):       CA        60.271        60.271        59.552         0.719
RESID 868 (T):       CB        68.737        68.737        71.401        -2.664
RESID 869 (G):       CA        44.914        44.914        45.178        -0.264
RESID 870 (P):       HA         4.329         4.329         4.416        -0.087
RESID 870 (P):       CA        64.697        64.697        64.108         0.589
RESID 870 (P):       CB        31.579        31.579        32.051        -0.472
RESID 871 (D):        N       116.207       116.207       117.670        -1.463
RESID 871 (D):       HA         4.604         4.604         4.765        -0.161
RESID 871 (D):       CA        52.749        52.749        53.930        -1.181
RESID 871 (D):       CB        38.929        38.929        41.219        -2.291
RESID 871 (D):        H         9.267         9.267         8.715         0.552
RESID 872 (S):        N       112.349       112.349       114.952        -2.603
RESID 872 (S):       HA         3.497         3.497         4.598        -1.101
RESID 872 (S):       CA        59.065        59.065        56.920         2.145
RESID 872 (S):       CB        63.125        63.125        65.943        -2.818
RESID 872 (S):        H         7.487         7.487         7.327         0.160
RESID 873 (V):        N       113.567       113.567       114.508        -0.941
RESID 873 (V):       HA         4.729         4.729         4.659         0.070
RESID 873 (V):       CA        58.044        58.044        57.712         0.332
RESID 873 (V):       CB        32.911        32.911        32.731         0.180
RESID 873 (V):        H         6.411         6.411         8.129        -1.718
RESID 874 (P):       HA         4.296         4.296         4.420        -0.124
RESID 874 (P):       CA        64.335        64.335        63.758         0.577
RESID 874 (P):       CB        31.515        31.515        31.925        -0.410
RESID 875 (G):        N       112.118       112.118       105.961         6.157
RESID 875 (G):       CA        45.557        45.557        44.514         1.043
RESID 875 (G):        H         8.800         8.800         7.971         0.829
RESID 876 (A):        N       120.262       120.262       123.671        -3.409
RESID 876 (A):       HA         4.100         4.100         5.565        -1.465
RESID 876 (A):       CA        53.073        53.073        50.390         2.683
RESID 876 (A):       CB        20.508        20.508        21.587        -1.079
RESID 876 (A):        H         7.762         7.762         7.487         0.275
RESID 877 (L):        N       125.695       125.695       121.316         4.379
RESID 877 (L):       HA         4.776         4.776         5.206        -0.430
RESID 877 (L):       CA        54.269        54.269        53.710         0.559
RESID 877 (L):       CB        44.799        44.799        47.090        -2.291
RESID 877 (L):        H         9.595         9.595         9.374         0.221
RESID 878 (D):        N       119.823       119.823       121.562        -1.739
RESID 878 (D):       HA         4.879         4.879         4.551         0.328
RESID 878 (D):       CA        51.997        51.997        52.357        -0.360
RESID 878 (D):       CB        40.781        40.781        41.326        -0.545
RESID 878 (D):        H         9.031         9.031         8.110         0.921
RESID 879 (Y):        N       126.556       126.556       124.637         1.919
RESID 879 (Y):       HA         4.591         4.591         4.279         0.312
RESID 879 (Y):       CA        59.396        59.396        59.961        -0.565
RESID 879 (Y):       CB        37.321        37.321        37.797        -0.477
RESID 879 (Y):        H         7.456         7.456         8.036        -0.580
RESID 880 (M):        N       119.958       119.958       114.805         5.153
RESID 880 (M):       HA         4.605         4.605         4.848        -0.243
RESID 880 (M):       CA        56.044        56.044        57.188        -1.144
RESID 880 (M):       CB        30.101        30.101        33.381        -3.280
RESID 880 (M):        H         7.627         7.627         7.586         0.041
RESID 881 (S):        N       114.328       114.328       115.952        -1.624
RESID 881 (S):       HA         4.471         4.471         4.625        -0.154
RESID 881 (S):       CA        58.917        58.917        57.274         1.643
RESID 881 (S):       CB        64.447        64.447        63.692         0.755
RESID 881 (S):        H         7.726         7.726         8.123        -0.397
RESID 882 (F):        N       122.735       122.735       119.563         3.172
RESID 882 (F):       HA         4.722         4.722         4.464         0.258
RESID 882 (F):       CA        59.231        59.231        57.621         1.610
RESID 882 (F):       CB        40.285        40.285        39.300         0.985
RESID 882 (F):        H         7.385         7.385         7.390        -0.005
RESID 883 (S):        N       120.156       120.156       116.993         3.163
RESID 883 (S):       HA         4.299         4.299         4.417        -0.118
RESID 883 (S):       CA        57.280        57.280        57.833        -0.553
RESID 883 (S):       CB        64.601        64.601        64.249         0.352
RESID 883 (S):        H         7.472         7.472         8.449        -0.977
RESID 884 (T):        N       110.683       110.683       117.643        -6.960
RESID 884 (T):       HA         3.966         3.966         4.308        -0.342
RESID 884 (T):       CA        63.465        63.465        62.750         0.715
RESID 884 (T):       CB        68.899        68.899        68.843         0.057
RESID 884 (T):        H         7.996         7.996         8.218        -0.222
RESID 885 (A):        N       125.456       125.456       125.583        -0.127
RESID 885 (A):       HA         4.236         4.236         4.538        -0.302
RESID 885 (A):       CA        52.030        52.030        51.091         0.939
RESID 885 (A):       CB        19.225        19.225        19.948        -0.723
RESID 885 (A):        H         7.905         7.905         7.416         0.489
RESID 886 (L):        N       120.638       120.638       125.344        -4.706
RESID 886 (L):       HA         4.002         4.002         4.224        -0.222
RESID 886 (L):       CA        55.462        55.462        55.004         0.458
RESID 886 (L):       CB        42.265        42.265        42.717        -0.452
RESID 886 (L):        H         8.079         8.079         8.567        -0.488
RESID 887 (Y):        N       121.526       121.526       119.390         2.136
RESID 887 (Y):       HA         4.356         4.356         4.185         0.171
RESID 887 (Y):       CA        58.750        58.750        59.307        -0.557
RESID 887 (Y):       CB        38.569        38.569        37.569         1.000
RESID 887 (Y):        H         8.267         8.267         8.704        -0.437
RESID 888 (G):        N       112.379       112.379       109.199         3.180
RESID 888 (G):       CA        45.090        45.090        45.474        -0.384
RESID 888 (G):        H         8.087         8.087         7.478         0.609
RESID 889 (E):        N       120.255       120.255       123.858        -3.603
RESID 889 (E):       HA         4.256         4.256         4.640        -0.384
RESID 889 (E):       CA        56.445        56.445        55.594         0.850
RESID 889 (E):       CB        30.393        30.393        29.459         0.934
RESID 889 (E):        H         7.994         7.994         8.678        -0.684
RESID 890 (S):        N       116.375       116.375       115.981         0.394
RESID 890 (S):       HA         4.415         4.415         4.576        -0.161
RESID 890 (S):       CA        58.204        58.204        58.193         0.011
RESID 890 (S):       CB        63.913        63.913        64.491        -0.578
RESID 890 (S):        H         8.329         8.329         7.797         0.532
RESID 891 (D):        N       123.017       123.017       121.079         1.938
RESID 891 (D):       HA         4.610         4.610         4.731        -0.121
RESID 891 (D):       CA        54.371        54.371        54.926        -0.555
RESID 891 (D):       CB        41.013        41.013        40.853         0.160
RESID 891 (D):        H         8.394         8.394         8.889        -0.495

                         N          HA           C          CA          CB           H
RESID 743 (I):      -0.440       0.322       -----      -1.744       0.453      -0.185
RESID 744 (S):       3.236      -0.113       -----       0.581       0.315       0.362
RESID 745 (Q):      -2.302      -0.143       -----      -0.456      -0.219       0.055
RESID 746 (E):      -0.850      -0.126       -----       1.301      -0.621       0.980
RESID 747 (Q):       0.578      -0.374       -----      -0.761       0.770      -0.644
RESID 748 (M):       3.471      -0.213       -----      -1.302      -1.456       0.207
RESID 749 (N):      -0.999       0.033       -----      -0.308      -1.134       0.743
RESID 750 (E):       3.444       0.093       -----       0.861      -0.362      -0.471
RESID 751 (F):      -2.709       0.638       -----      -1.225      -1.662       0.053
RESID 752 (R):       0.088       0.207       -----       1.419       1.359       0.947
RESID 753 (A):      -1.633      -0.225       -----       0.798      -0.019       0.234
RESID 754 (S):       0.215       0.184       -----       2.101       0.975       0.512
RESID 755 (F):       3.408      -0.276       -----       3.138       1.747       0.928
RESID 756 (N):      -0.148       0.345       -----       3.039      -0.251       0.820
RESID 757 (H):      -0.881      -0.170       -----       0.656      -0.011       0.812
RESID 758 (F):      -3.201      -0.346       -----       2.806      -1.572       0.105
RESID 759 (D):      -0.664       0.041       -----      -2.636      -2.600      -0.423
RESID 760 (R):      -1.004      -0.302       -----      -0.290      -0.365      -0.593
RESID 761 (D):      -0.741      -0.256       -----      -1.767      -1.631      -0.478
RESID 762 (H):      -3.137       0.008       -----      -0.136      -2.248      -0.345
RESID 763 (S):       1.665       0.009       -----       0.458       0.721       0.526
RESID 764 (G):       5.722       -----       -----      -0.049       -----       2.349
RESID 765 (T):      -3.634      -0.426       -----      -2.185       1.476      -0.490
RESID 766 (L):      -0.244       0.119       -----      -1.372      -0.589       0.389
RESID 767 (G):       0.153       -----       -----       0.353       -----       0.029
RESID 768 (P):       -----      -0.198       -----       0.904      -0.067       -----
RESID 769 (E):      -1.709      -0.152       -----       1.305      -0.397      -0.390
RESID 770 (E):       3.217       0.048       -----       0.100       1.419      -0.583
RESID 771 (F):      -4.497       0.080       -----      -2.052      -0.654       0.131
RESID 772 (K):       1.351      -0.387       -----       2.337       1.104       0.477
RESID 773 (A):      -2.009      -0.116       -----       1.214      -1.286      -0.319
RESID 774 (C):       1.973      -0.680       -----      -0.772      -0.046      -0.231
RESID 775 (L):       0.785       0.178       -----       1.700       0.041       0.724
RESID 776 (I):       2.209       1.380       -----       0.986       0.926       1.621
RESID 777 (S):       4.457       0.088       -----       1.395       0.146       0.484
RESID 778 (L):       3.477       0.032       -----       1.205       0.205       0.476
RESID 779 (G):      -1.084       -----       -----       0.224       -----       0.592
RESID 780 (Y):       1.099      -0.445       -----       4.221      -0.295       0.579
RESID 781 (D):       5.753      -0.048       -----      -0.731      -0.429      -0.133
RESID 782 (I):       9.779      -0.131       -----      -0.005      -4.066       0.440
RESID 783 (G):       5.295       -----       -----       0.309       -----      -0.079
RESID 784 (N):       0.813       0.078       -----      -0.825      -1.568      -0.115
RESID 785 (D):      -0.269       0.136       -----      -1.245      -1.282       0.438
RESID 786 (P):       -----       0.058       -----       0.892      -0.145       -----
RESID 787 (Q):      -0.381      -0.145       -----       0.913      -0.059      -0.220
RESID 788 (G):       4.460       -----       -----       0.666       -----       0.149
RESID 789 (E):      -0.299      -0.070       -----      -0.346      -0.053      -0.160
RESID 790 (A):       0.624       0.034       -----      -0.202      -0.675       0.477
RESID 791 (E):       3.490       0.550       -----      -0.462      -0.484       0.519
RESID 792 (F):      -1.669      -0.176       -----       0.575       0.046      -0.132
RESID 793 (A):      -1.897       0.464       -----       0.382      -0.285       0.392
RESID 794 (R):       1.569      -0.109       -----       0.453      -0.001       0.181
RESID 795 (I):       0.959      -0.366       -----       0.630      -0.015      -0.156
RESID 796 (M):       0.235       0.221       -----      -1.685      -1.642       0.384
RESID 797 (S):       1.242      -0.172       -----       1.203      -0.522       0.180
RESID 798 (I):       4.305      -0.372       -----       0.833      -0.064      -0.370
RESID 799 (V):      -2.277       0.166       -----       1.856       1.553      -0.260
RESID 800 (D):      -0.935       0.124       -----       1.557      -0.320       0.662
RESID 801 (P):       -----      -0.100       -----       0.784      -0.316       -----
RESID 802 (N):      -0.646       0.001       -----       0.080      -1.705       1.293
RESID 803 (R):       1.162      -0.340       -----      -0.138      -1.122       0.064
RESID 804 (L):       6.766      -0.562       -----       1.839       0.892       2.435
RESID 805 (G):       2.947       -----       -----      -0.834       -----       2.298
RESID 806 (V):      -5.532       0.241       -----      -1.653       1.683      -0.250
RESID 807 (V):      -0.572      -0.246       -----       0.337       0.607       0.114
RESID 808 (T):      -0.786      -0.095       -----       1.932      -0.676       0.288
RESID 809 (F):       3.269      -0.846       -----       0.395       0.647       1.157
RESID 810 (Q):       0.129      -0.619       -----       0.803      -0.374       0.736
RESID 811 (A):      -0.614      -0.103       -----       1.219       0.233      -0.043
RESID 812 (F):       0.964      -0.417       -----      -0.307       0.918       0.064
RESID 813 (I):      -0.529      -0.828       -----       0.654      -0.140       0.486
RESID 814 (D):       2.903      -0.139       -----      -0.223      -0.582       0.354
RESID 815 (F):       0.451      -0.288       -----       0.595       0.067       0.023
RESID 816 (M):      -2.204      -0.248       -----      -1.452      -1.419       0.367
RESID 817 (S):       0.524      -0.155       -----      -0.088       0.116      -0.318
RESID 818 (R):       1.435       0.014       -----      -0.491       0.458      -0.425
RESID 819 (E):       2.022      -0.000       -----      -1.234       1.532       0.469
RESID 820 (T):       3.202       0.269       -----      -0.038       0.981       0.386
RESID 821 (A):       3.012      -0.241       -----       1.614      -1.806       0.792
RESID 822 (D):      -1.046       0.018       -----      -0.835      -0.413      -0.055
RESID 823 (T):      -0.081      -0.480       -----       1.701      -2.893      -0.236
RESID 824 (D):       3.176       0.089       -----      -1.496       0.234      -0.488
RESID 825 (T):       2.122      -0.031       -----      -1.509       0.863      -0.420
RESID 826 (A):       0.294       0.088       -----       0.234       0.536       0.179
RESID 827 (D):       0.072       0.057       -----      -1.047      -0.480       0.460
RESID 828 (Q):       2.785      -0.011       -----      -0.382      -0.408       0.372
RESID 829 (V):      -0.362      -0.244       -----       0.722      -0.394       0.604
RESID 830 (M):       1.754       0.573       -----       0.100       0.254       0.165
RESID 831 (A):      -0.925       0.046       -----      -0.174       0.280       0.372
RESID 832 (S):      -1.400       0.084       -----      -0.444      -0.048       0.037
RESID 833 (F):       0.689      -0.403       -----      -0.409       0.799       0.373
RESID 834 (K):      -1.208      -0.013       -----       1.010       0.293       0.085
RESID 835 (I):      -1.552      -0.009       -----      -0.813      -0.245      -0.088
RESID 836 (L):       0.938       0.098       -----      -0.148       0.369      -0.442
RESID 837 (A):       1.756      -0.049       -----      -0.340       0.040       0.430
RESID 838 (G):      -0.331       -----       -----       0.574       -----      -0.300
RESID 839 (D):      -2.667      -0.382       -----       1.436      -1.750       0.346
RESID 840 (K):      -2.650      -0.065       -----      -0.330       0.849       0.158
RESID 841 (N):       0.129       0.064       -----      -0.883       0.159      -0.307
RESID 842 (Y):      -1.369       0.157       -----      -1.428       0.340      -0.657
RESID 843 (I):      -5.971       0.178       -----       0.539       0.057      -0.640
RESID 844 (T):      -1.456       0.142       -----      -0.160       0.618       0.045
RESID 845 (M):      -0.430      -0.149       -----      -0.348       0.836      -0.206
RESID 846 (D):      -1.106      -0.160       -----       0.881       0.326      -0.280
RESID 847 (E):       1.777      -0.306       -----       1.031      -0.498       0.294
RESID 848 (L):      -0.981      -0.234       -----       1.046       0.557       0.279
RESID 849 (R):      -1.584      -0.455       -----       0.840       0.492       0.025
RESID 850 (R):      -0.933      -0.146       -----       0.272      -0.018       0.136
RESID 851 (E):      -2.842       0.085       -----      -1.327       1.064      -0.238
RESID 852 (L):      -2.573      -0.346       -----       1.282       1.294      -0.072
RESID 853 (P):       -----      -0.092       -----       0.964       0.722       -----
RESID 854 (P):       -----      -0.229       -----       4.541      -0.939       -----
RESID 855 (D):      -3.868      -0.153       -----      -0.886      -1.147       0.532
RESID 856 (Q):       2.636      -0.087       -----      -1.335       1.069      -1.057
RESID 857 (A):       0.223      -0.103       -----       0.097      -0.346       0.647
RESID 858 (E):      -4.725       0.039       -----      -0.071      -0.309       0.242
RESID 859 (Y):      -1.558      -0.039       -----       0.222       0.544      -0.702
RESID 860 (C):      -1.030       0.912       -----       0.253       0.496       0.412
RESID 861 (I):       0.248      -0.222       -----       0.358       1.138       0.490
RESID 862 (A):      -4.558       0.192       -----      -1.333       0.419      -0.989
RESID 863 (R):       2.665      -0.355       -----       0.628       0.425      -0.167
RESID 864 (M):      -1.340       0.171       -----      -0.978       3.313      -0.104
RESID 865 (A):      -1.668      -0.769       -----      -0.877       0.149       0.279
RESID 866 (P):       -----      -0.020       -----      -0.156       1.603       -----
RESID 867 (Y):      -4.871       0.169       -----       0.057       0.976       0.038
RESID 868 (T):       -----      -0.187       -----       0.719      -2.664       -----
RESID 869 (G):       -----       -----       -----      -0.264       -----       -----
RESID 870 (P):       -----      -0.087       -----       0.589      -0.472       -----
RESID 871 (D):      -1.463      -0.161       -----      -1.181      -2.291       0.552
RESID 872 (S):      -2.603      -1.101       -----       2.145      -2.818       0.160
RESID 873 (V):      -0.941       0.070       -----       0.332       0.180      -1.718
RESID 874 (P):       -----      -0.124       -----       0.577      -0.410       -----
RESID 875 (G):       6.157       -----       -----       1.043       -----       0.829
RESID 876 (A):      -3.409      -1.465       -----       2.683      -1.079       0.275
RESID 877 (L):       4.379      -0.430       -----       0.559      -2.291       0.221
RESID 878 (D):      -1.739       0.328       -----      -0.360      -0.545       0.921
RESID 879 (Y):       1.919       0.312       -----      -0.565      -0.477      -0.580
RESID 880 (M):       5.153      -0.243       -----      -1.144      -3.280       0.041
RESID 881 (S):      -1.624      -0.154       -----       1.643       0.755      -0.397
RESID 882 (F):       3.172       0.258       -----       1.610       0.985      -0.005
RESID 883 (S):       3.163      -0.118       -----      -0.553       0.352      -0.977
RESID 884 (T):      -6.960      -0.342       -----       0.715       0.057      -0.222
RESID 885 (A):      -0.127      -0.302       -----       0.939      -0.723       0.489
RESID 886 (L):      -4.706      -0.222       -----       0.458      -0.452      -0.488
RESID 887 (Y):       2.136       0.171       -----      -0.557       1.000      -0.437
RESID 888 (G):       3.180       -----       -----      -0.384       -----       0.609
RESID 889 (E):      -3.603      -0.384       -----       0.850       0.934      -0.684
RESID 890 (S):       0.394      -0.161       -----       0.011      -0.578       0.532
RESID 891 (D):       1.938      -0.121       -----      -0.555       0.160      -0.495

DATA CS_STAT_INFO  N  RMS:   2.735 ppm Count: 139 Average Difference: -0.201 +/- 2.738 ppm
DATA CS_STAT_INFO  HA RMS:   0.341 ppm Count: 160 Average Difference:  0.058 +/- 0.337 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   1.208 ppm Count: 150 Average Difference: -0.234 +/- 1.189 ppm
DATA CS_STAT_INFO  CB RMS:   1.104 ppm Count: 140 Average Difference:  0.127 +/- 1.100 ppm
DATA CS_STAT_INFO  HN RMS:   0.615 ppm Count: 139 Average Difference: -0.149 +/- 0.599 ppm


############################################################################
For conformer 10:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 742 (S):       HA         4.525         4.525         4.754        -0.229
RESID 742 (S):       CA        58.148        58.148        56.666         1.482
RESID 742 (S):       CB        63.791        63.791        65.453        -1.662
RESID 743 (I):        N       122.172       122.172       125.811        -3.639
RESID 743 (I):       HA         4.362         4.362         4.135         0.227
RESID 743 (I):       CA        60.421        60.421        61.935        -1.514
RESID 743 (I):       CB        39.166        39.166        39.109         0.057
RESID 743 (I):        H         8.132         8.132         8.069         0.063
RESID 744 (S):        N       123.144       123.144       119.888         3.256
RESID 744 (S):       HA         4.449         4.449         4.631        -0.182
RESID 744 (S):       CA        57.463        57.463        56.352         1.111
RESID 744 (S):       CB        65.219        65.219        64.754         0.465
RESID 744 (S):        H         8.848         8.848         8.521         0.327
RESID 745 (Q):        N       121.619       121.619       124.335        -2.716
RESID 745 (Q):       HA         3.952         3.952         4.093        -0.141
RESID 745 (Q):       CA        58.768        58.768        59.234        -0.466
RESID 745 (Q):       CB        28.512        28.512        28.739        -0.227
RESID 745 (Q):        H         9.042         9.042         8.998         0.044
RESID 746 (E):        N       118.648       118.648       119.639        -0.991
RESID 746 (E):       HA         4.004         4.004         4.098        -0.094
RESID 746 (E):       CA        60.223        60.223        59.021         1.202
RESID 746 (E):       CB        28.854        28.854        29.409        -0.555
RESID 746 (E):        H         8.721         8.721         7.771         0.950
RESID 747 (Q):        N       120.463       120.463       119.759         0.704
RESID 747 (Q):       HA         3.766         3.766         4.144        -0.378
RESID 747 (Q):       CA        58.306        58.306        59.046        -0.740
RESID 747 (Q):       CB        28.948        28.948        28.214         0.734
RESID 747 (Q):        H         7.838         7.838         8.468        -0.630
RESID 748 (M):        N       119.252       119.252       115.273         3.979
RESID 748 (M):       HA         4.200         4.200         4.510        -0.310
RESID 748 (M):       CA        58.096        58.096        59.035        -0.939
RESID 748 (M):       CB        30.900        30.900        32.331        -1.431
RESID 748 (M):        H         8.473         8.473         8.219         0.254
RESID 749 (N):        N       117.740       117.740       118.849        -1.109
RESID 749 (N):       HA         4.474         4.474         4.504        -0.030
RESID 749 (N):       CA        55.795        55.795        56.031        -0.236
RESID 749 (N):       CB        37.413        37.413        38.939        -1.526
RESID 749 (N):        H         8.334         8.334         7.865         0.469
RESID 750 (E):        N       122.848       122.848       120.288         2.560
RESID 750 (E):       HA         4.204         4.204         4.169         0.035
RESID 750 (E):       CA        59.341        59.341        58.657         0.684
RESID 750 (E):       CB        29.184        29.184        29.250        -0.066
RESID 750 (E):        H         7.838         7.838         8.410        -0.572
RESID 751 (F):        N       120.177       120.177       122.524        -2.347
RESID 751 (F):       HA         5.021         5.021         4.413         0.608
RESID 751 (F):       CA        58.353        58.353        59.596        -1.243
RESID 751 (F):       CB        37.797        37.797        39.568        -1.771
RESID 751 (F):        H         8.785         8.785         8.582         0.203
RESID 752 (R):        N       120.528       120.528       120.265         0.263
RESID 752 (R):       HA         4.160         4.160         3.989         0.171
RESID 752 (R):       CA        59.704        59.704        58.282         1.422
RESID 752 (R):       CB        29.968        29.968        28.528         1.440
RESID 752 (R):        H         9.016         9.016         7.994         1.022
RESID 753 (A):        N       121.112       121.112       122.437        -1.325
RESID 753 (A):       HA         4.245         4.245         4.451        -0.206
RESID 753 (A):       CA        55.331        55.331        54.499         0.832
RESID 753 (A):       CB        17.823        17.823        17.838        -0.015
RESID 753 (A):        H         8.100         8.100         8.089         0.011
RESID 754 (S):        N       115.589       115.589       115.042         0.547
RESID 754 (S):       HA         4.452         4.452         4.206         0.246
RESID 754 (S):       CA        62.675        62.675        59.897         2.778
RESID 754 (S):       CB        63.359        63.359        62.649         0.710
RESID 754 (S):        H         8.391         8.391         7.822         0.569
RESID 755 (F):        N       121.886       121.886       118.540         3.346
RESID 755 (F):       HA         3.642         3.642         3.893        -0.251
RESID 755 (F):       CA        61.964        61.964        58.806         3.158
RESID 755 (F):       CB        39.822        39.822        38.520         1.302
RESID 755 (F):        H         8.675         8.675         7.610         1.065
RESID 756 (N):        N       113.618       113.618       113.100         0.518
RESID 756 (N):       HA         4.427         4.427         4.110         0.317
RESID 756 (N):       CA        55.611        55.611        52.296         3.315
RESID 756 (N):       CB        37.838        37.838        38.905        -1.067
RESID 756 (N):        H         8.593         8.593         7.608         0.985
RESID 757 (H):        N       119.679       119.679       120.999        -1.320
RESID 757 (H):       HA         4.079         4.079         4.263        -0.184
RESID 757 (H):       CA        59.344        59.344        58.477         0.867
RESID 757 (H):       CB        29.889        29.889        30.113        -0.224
RESID 757 (H):        H         8.139         8.139         7.529         0.610
RESID 758 (F):        N       113.051       113.051       116.759        -3.708
RESID 758 (F):       HA         4.061         4.061         4.408        -0.347
RESID 758 (F):       CA        60.697        60.697        58.102         2.595
RESID 758 (F):       CB        38.735        38.735        40.331        -1.596
RESID 758 (F):        H         7.585         7.585         7.471         0.114
RESID 759 (D):        N       120.916       120.916       121.652        -0.736
RESID 759 (D):       HA         4.509         4.509         4.479         0.030
RESID 759 (D):       CA        52.171        52.171        54.941        -2.770
RESID 759 (D):       CB        38.009        38.009        40.823        -2.814
RESID 759 (D):        H         7.423         7.423         8.052        -0.629
RESID 760 (R):        N       124.819       124.819       125.792        -0.973
RESID 760 (R):       HA         3.768         3.768         4.080        -0.312
RESID 760 (R):       CA        58.275        58.275        58.810        -0.535
RESID 760 (R):       CB        30.249        30.249        30.593        -0.344
RESID 760 (R):        H         7.781         7.781         8.356        -0.575
RESID 761 (D):        N       113.673       113.673       113.835        -0.162
RESID 761 (D):       HA         4.483         4.483         4.709        -0.226
RESID 761 (D):       CA        51.977        51.977        53.586        -1.609
RESID 761 (D):       CB        39.522        39.522        40.839        -1.317
RESID 761 (D):        H         7.821         7.821         8.092        -0.271
RESID 762 (H):        N       114.966       114.966       116.576        -1.610
RESID 762 (H):       HA         4.161         4.161         4.233        -0.072
RESID 762 (H):       CA        56.618        56.618        57.005        -0.388
RESID 762 (H):       CB        26.380        26.380        28.921        -2.541
RESID 762 (H):        H         7.744         7.744         7.902        -0.158
RESID 763 (S):        N       115.077       115.077       113.884         1.193
RESID 763 (S):       HA         4.336         4.336         4.356        -0.020
RESID 763 (S):       CA        59.860        59.860        59.882        -0.022
RESID 763 (S):       CB        65.192        65.192        64.030         1.162
RESID 763 (S):        H         8.726         8.726         8.721         0.005
RESID 764 (G):        N       116.915       116.915       110.500         6.415
RESID 764 (G):       CA        45.449        45.449        45.428         0.021
RESID 764 (G):        H        11.017        11.017         8.822         2.195
RESID 765 (T):        N       107.334       107.334       110.089        -2.755
RESID 765 (T):       HA         4.829         4.829         5.236        -0.407
RESID 765 (T):       CA        58.759        58.759        60.128        -1.369
RESID 765 (T):       CB        73.383        73.383        72.160         1.223
RESID 765 (T):        H         7.693         7.693         7.942        -0.249
RESID 766 (L):        N       124.664       124.664       124.112         0.552
RESID 766 (L):       HA         4.900         4.900         4.682         0.218
RESID 766 (L):       CA        52.339        52.339        53.741        -1.402
RESID 766 (L):       CB        42.339        42.339        42.886        -0.548
RESID 766 (L):        H         9.209         9.209         8.830         0.379
RESID 767 (G):        N       112.024       112.024       112.270        -0.246
RESID 767 (G):       CA        44.123        44.123        43.901         0.222
RESID 767 (G):        H         8.910         8.910         8.938        -0.028
RESID 768 (P):       HA         4.318         4.318         4.539        -0.221
RESID 768 (P):       CA        67.127        67.127        66.162         0.965
RESID 768 (P):       CB        32.029        32.029        32.030        -0.001
RESID 769 (E):        N       115.246       115.246       118.464        -3.218
RESID 769 (E):       HA         3.971         3.971         4.144        -0.173
RESID 769 (E):       CA        59.621        59.621        58.802         0.819
RESID 769 (E):       CB        28.628        28.628        29.043        -0.415
RESID 769 (E):        H         8.622         8.622         9.071        -0.449
RESID 770 (E):        N       121.127       121.127       118.701         2.426
RESID 770 (E):       HA         4.272         4.272         4.225         0.047
RESID 770 (E):       CA        58.497        58.497        58.947        -0.450
RESID 770 (E):       CB        31.372        31.372        29.985         1.387
RESID 770 (E):        H         7.493         7.493         7.858        -0.365
RESID 771 (F):        N       117.688       117.688       121.925        -4.237
RESID 771 (F):       HA         4.355         4.355         4.283         0.072
RESID 771 (F):       CA        58.625        58.625        60.615        -1.990
RESID 771 (F):       CB        38.810        38.810        39.446        -0.636
RESID 771 (F):        H         9.110         9.110         8.913         0.197
RESID 772 (K):        N       119.789       119.789       118.528         1.261
RESID 772 (K):       HA         3.313         3.313         3.680        -0.367
RESID 772 (K):       CA        60.672        60.672        58.519         2.153
RESID 772 (K):       CB        31.979        31.979        30.944         1.035
RESID 772 (K):        H         8.594         8.594         8.174         0.420
RESID 773 (A):        N       118.461       118.461       120.600        -2.139
RESID 773 (A):       HA         3.881         3.881         4.002        -0.121
RESID 773 (A):       CA        55.013        55.013        53.798         1.215
RESID 773 (A):       CB        17.629        17.629        18.893        -1.264
RESID 773 (A):        H         7.231         7.231         7.542        -0.311
RESID 774 (C):        N       120.913       120.913       119.333         1.580
RESID 774 (C):       HA         2.435         2.435         2.828        -0.393
RESID 774 (C):       CA        61.174        61.174        61.451        -0.277
RESID 774 (C):       CB        26.215        26.215        26.331        -0.116
RESID 774 (C):        H         7.498         7.498         7.514        -0.016
RESID 775 (L):        N       119.201       119.201       118.502         0.699
RESID 775 (L):       HA         3.766         3.766         3.541         0.225
RESID 775 (L):       CA        57.932        57.932        56.380         1.552
RESID 775 (L):       CB        40.950        40.950        40.989        -0.038
RESID 775 (L):        H         8.372         8.372         7.474         0.898
RESID 776 (I):        N       121.051       121.051       118.224         2.827
RESID 776 (I):       HA         4.090         4.090         2.457         1.633
RESID 776 (I):       CA        65.244        65.244        64.245         0.999
RESID 776 (I):       CB        37.991        37.991        37.154         0.837
RESID 776 (I):        H         8.358         8.358         6.686         1.672
RESID 777 (S):        N       119.109       119.109       113.375         5.734
RESID 777 (S):       HA         4.291         4.291         4.209         0.082
RESID 777 (S):       CA        61.725        61.725        60.168         1.557
RESID 777 (S):       CB        62.995        62.995        63.147        -0.152
RESID 777 (S):        H         7.822         7.822         7.418         0.404
RESID 778 (L):        N       121.208       121.208       117.468         3.740
RESID 778 (L):       HA         4.506         4.506         4.364         0.142
RESID 778 (L):       CA        54.999        54.999        53.490         1.508
RESID 778 (L):       CB        42.670        42.670        42.017         0.653
RESID 778 (L):        H         7.671         7.671         6.963         0.708
RESID 779 (G):        N       106.232       106.232       106.446        -0.214
RESID 779 (G):       CA        45.287        45.287        45.039         0.248
RESID 779 (G):        H         7.897         7.897         7.228         0.669
RESID 780 (Y):        N       120.772       120.772       119.435         1.337
RESID 780 (Y):       HA         4.142         4.142         4.471        -0.329
RESID 780 (Y):       CA        59.231        59.231        55.043         4.188
RESID 780 (Y):       CB        38.341        38.341        38.435        -0.094
RESID 780 (Y):        H         8.072         8.072         7.443         0.629
RESID 781 (D):        N       124.304       124.304       117.556         6.748
RESID 781 (D):       HA         4.665         4.665         4.721        -0.056
RESID 781 (D):       CA        53.148        53.148        53.415        -0.267
RESID 781 (D):       CB        39.804        39.804        40.432        -0.628
RESID 781 (D):        H         8.862         8.862         9.104        -0.242
RESID 782 (I):        N       122.271       122.271       113.029         9.242
RESID 782 (I):       HA         4.341         4.341         4.418        -0.077
RESID 782 (I):       CA        58.992        58.992        59.046        -0.054
RESID 782 (I):       CB        37.907        37.907        40.526        -2.619
RESID 782 (I):        H         7.344         7.344         6.950         0.394
RESID 783 (G):        N       112.322       112.322       106.407         5.915
RESID 783 (G):       CA        44.523        44.523        44.175         0.348
RESID 783 (G):        H         8.122         8.122         8.136        -0.014
RESID 784 (N):        N       118.727       118.727       117.533         1.194
RESID 784 (N):       HA         4.882         4.882         4.621         0.261
RESID 784 (N):       CA        52.098        52.098        52.610        -0.512
RESID 784 (N):       CB        37.424        37.424        38.734        -1.310
RESID 784 (N):        H         8.452         8.452         8.592        -0.140
RESID 785 (D):        N       119.826       119.826       120.052        -0.226
RESID 785 (D):       HA         4.778         4.778         4.714         0.064
RESID 785 (D):       CA        52.164        52.164        52.661        -0.497
RESID 785 (D):       CB        39.657        39.657        41.066        -1.409
RESID 785 (D):        H         8.145         8.145         7.647         0.498
RESID 786 (P):       HA         4.271         4.271         4.488        -0.217
RESID 786 (P):       CA        66.265        66.265        65.184         1.081
RESID 786 (P):       CB        32.011        32.011        32.336        -0.325
RESID 787 (Q):        N       118.097       118.097       117.785         0.312
RESID 787 (Q):       HA         4.141         4.141         4.153        -0.012
RESID 787 (Q):       CA        59.115        59.115        58.546         0.569
RESID 787 (Q):       CB        27.732        27.732        27.543         0.190
RESID 787 (Q):        H         8.409         8.409         8.566        -0.157
RESID 788 (G):        N       113.421       113.421       108.650         4.771
RESID 788 (G):       CA        47.317        47.317        46.709         0.608
RESID 788 (G):        H         8.644         8.644         8.415         0.229
RESID 789 (E):        N       121.223       121.223       121.861        -0.638
RESID 789 (E):       HA         4.148         4.148         4.184        -0.036
RESID 789 (E):       CA        59.344        59.344        59.141         0.204
RESID 789 (E):       CB        29.435        29.435        29.691        -0.256
RESID 789 (E):        H         8.514         8.514         8.758        -0.244
RESID 790 (A):        N       122.879       122.879       122.524         0.355
RESID 790 (A):       HA         4.247         4.247         4.192         0.055
RESID 790 (A):       CA        54.907        54.907        55.129        -0.222
RESID 790 (A):       CB        17.780        17.780        18.321        -0.541
RESID 790 (A):        H         8.024         8.024         7.549         0.475
RESID 791 (E):        N       122.622       122.622       119.072         3.550
RESID 791 (E):       HA         4.687         4.687         4.095         0.592
RESID 791 (E):       CA        58.134        58.134        58.715        -0.581
RESID 791 (E):       CB        29.061        29.061        29.485        -0.424
RESID 791 (E):        H         8.280         8.280         7.835         0.445
RESID 792 (F):        N       119.949       119.949       121.500        -1.551
RESID 792 (F):       HA         4.038         4.038         4.215        -0.177
RESID 792 (F):       CA        61.812        61.812        61.159         0.653
RESID 792 (F):       CB        38.598        38.598        38.642        -0.044
RESID 792 (F):        H         8.722         8.722         8.782        -0.060
RESID 793 (A):        N       119.652       119.652       121.771        -2.119
RESID 793 (A):       HA         3.854         3.854         3.371         0.483
RESID 793 (A):       CA        54.902        54.902        54.625         0.277
RESID 793 (A):       CB        17.628        17.628        17.886        -0.258
RESID 793 (A):        H         8.163         8.163         8.087         0.076
RESID 794 (R):        N       121.092       121.092       119.298         1.794
RESID 794 (R):       HA         3.910         3.910         3.979        -0.069
RESID 794 (R):       CA        59.471        59.471        59.215         0.256
RESID 794 (R):       CB        30.092        30.092        30.209        -0.117
RESID 794 (R):        H         8.034         8.034         7.743         0.291
RESID 795 (I):        N       121.394       121.394       120.330         1.064
RESID 795 (I):       HA         3.388         3.388         3.700        -0.312
RESID 795 (I):       CA        65.848        65.848        65.335         0.513
RESID 795 (I):       CB        38.209        38.209        38.209         0.000
RESID 795 (I):        H         8.049         8.049         7.811         0.238
RESID 796 (M):        N       119.012       119.012       118.472         0.540
RESID 796 (M):       HA         4.155         4.155         3.896         0.259
RESID 796 (M):       CA        56.470        56.470        57.937        -1.467
RESID 796 (M):       CB        29.892        29.892        31.371        -1.479
RESID 796 (M):        H         8.589         8.589         8.214         0.375
RESID 797 (S):        N       114.132       114.132       112.544         1.588
RESID 797 (S):       HA         4.097         4.097         4.282        -0.185
RESID 797 (S):       CA        61.231        61.231        60.481         0.750
RESID 797 (S):       CB        62.895        62.895        63.752        -0.857
RESID 797 (S):        H         7.732         7.732         7.576         0.156
RESID 798 (I):        N       120.873       120.873       115.740         5.133
RESID 798 (I):       HA         3.818         3.818         4.131        -0.313
RESID 798 (I):       CA        63.875        63.875        63.069         0.805
RESID 798 (I):       CB        38.863        38.863        38.513         0.350
RESID 798 (I):        H         7.352         7.352         7.679        -0.327
RESID 799 (V):        N       110.552       110.552       112.539        -1.987
RESID 799 (V):       HA         4.243         4.243         4.028         0.215
RESID 799 (V):       CA        62.616        62.616        61.241         1.375
RESID 799 (V):       CB        32.416        32.416        31.322         1.094
RESID 799 (V):        H         7.648         7.648         7.767        -0.119
RESID 800 (D):        N       119.435       119.435       119.650        -0.215
RESID 800 (D):       HA         5.225         5.225         5.095         0.130
RESID 800 (D):       CA        51.715        51.715        49.869         1.846
RESID 800 (D):       CB        41.086        41.086        41.453        -0.367
RESID 800 (D):        H         8.074         8.074         7.613         0.461
RESID 801 (P):       HA         4.331         4.331         4.404        -0.073
RESID 801 (P):       CA        64.819        64.819        63.798         1.021
RESID 801 (P):       CB        31.689        31.689        31.971        -0.282
RESID 802 (N):        N       115.164       115.164       116.297        -1.133
RESID 802 (N):       HA         4.760         4.760         4.709         0.051
RESID 802 (N):       CA        52.998        52.998        52.735         0.263
RESID 802 (N):       CB        37.952        37.952        39.708        -1.756
RESID 802 (N):        H         8.949         8.949         7.626         1.323
RESID 803 (R):        N       117.446       117.446       116.085         1.361
RESID 803 (R):       HA         3.830         3.830         4.235        -0.405
RESID 803 (R):       CA        56.888        56.888        56.938        -0.049
RESID 803 (R):       CB        26.354        26.354        27.170        -0.816
RESID 803 (R):        H         7.958         7.958         7.942         0.016
RESID 804 (L):        N       123.307       123.307       116.553         6.754
RESID 804 (L):       HA         4.156         4.156         4.714        -0.558
RESID 804 (L):       CA        56.373        56.373        54.275         2.098
RESID 804 (L):       CB        42.930        42.930        41.672         1.258
RESID 804 (L):        H        10.591        10.591         8.215         2.376
RESID 805 (G):        N       110.516       110.516       107.457         3.059
RESID 805 (G):       CA        44.944        44.944        45.781        -0.837
RESID 805 (G):        H        11.001        11.001         8.482         2.519
RESID 806 (V):        N       109.840       109.840       115.301        -5.461
RESID 806 (V):       HA         4.571         4.571         4.409         0.162
RESID 806 (V):       CA        58.566        58.566        59.525        -0.959
RESID 806 (V):       CB        36.853        36.853        34.508         2.345
RESID 806 (V):        H         6.831         6.831         7.105        -0.274
RESID 807 (V):        N       122.184       122.184       122.110         0.074
RESID 807 (V):       HA         4.167         4.167         4.350        -0.183
RESID 807 (V):       CA        61.644        61.644        60.778         0.866
RESID 807 (V):       CB        32.383        32.383        32.134         0.249
RESID 807 (V):        H         9.007         9.007         8.818         0.189
RESID 808 (T):        N       117.391       117.391       118.141        -0.750
RESID 808 (T):       HA         4.593         4.593         4.705        -0.112
RESID 808 (T):       CA        60.615        60.615        58.731         1.884
RESID 808 (T):       CB        70.695        70.695        71.302        -0.607
RESID 808 (T):        H         7.925         7.925         7.736         0.189
RESID 809 (F):        N       122.236       122.236       118.850         3.386
RESID 809 (F):       HA         3.640         3.640         4.482        -0.842
RESID 809 (F):       CA        61.749        61.749        61.422         0.327
RESID 809 (F):       CB        38.177        38.177        37.569         0.608
RESID 809 (F):        H         9.349         9.349         8.283         1.066
RESID 810 (Q):        N       116.788       116.788       116.710         0.078
RESID 810 (Q):       HA         3.598         3.598         4.207        -0.609
RESID 810 (Q):       CA        58.582        58.582        57.867         0.715
RESID 810 (Q):       CB        28.199        28.199        28.489        -0.290
RESID 810 (Q):        H         8.572         8.572         7.709         0.863
RESID 811 (A):        N       121.208       121.208       122.136        -0.928
RESID 811 (A):       HA         4.119         4.119         4.165        -0.047
RESID 811 (A):       CA        54.911        54.911        53.826         1.085
RESID 811 (A):       CB        19.265        19.265        18.761         0.504
RESID 811 (A):        H         7.667         7.667         7.655         0.012
RESID 812 (F):        N       119.805       119.805       118.688         1.117
RESID 812 (F):       HA         3.980         3.980         4.397        -0.417
RESID 812 (F):       CA        61.740        61.740        62.049        -0.309
RESID 812 (F):       CB        39.670        39.670        38.727         0.943
RESID 812 (F):        H         8.400         8.400         8.314         0.086
RESID 813 (I):        N       118.098       118.098       118.658        -0.560
RESID 813 (I):       HA         3.146         3.146         3.962        -0.816
RESID 813 (I):       CA        63.299        63.299        62.596         0.703
RESID 813 (I):       CB        36.202        36.202        36.323        -0.121
RESID 813 (I):        H         8.364         8.364         7.886         0.478
RESID 814 (D):        N       123.528       123.528       120.654         2.874
RESID 814 (D):       HA         4.196         4.196         4.326        -0.130
RESID 814 (D):       CA        57.680        57.680        57.793        -0.113
RESID 814 (D):       CB        40.236        40.236        40.793        -0.557
RESID 814 (D):        H         8.221         8.221         7.930         0.291
RESID 815 (F):        N       120.584       120.584       119.763         0.821
RESID 815 (F):       HA         4.129         4.129         4.386        -0.257
RESID 815 (F):       CA        61.084        61.084        60.561         0.523
RESID 815 (F):       CB        39.698        39.698        39.615         0.083
RESID 815 (F):        H         7.887         7.887         7.843         0.044
RESID 816 (M):        N       116.960       116.960       119.725        -2.765
RESID 816 (M):       HA         3.782         3.782         4.039        -0.257
RESID 816 (M):       CA        55.662        55.662        57.157        -1.495
RESID 816 (M):       CB        30.033        30.033        31.472        -1.439
RESID 816 (M):        H         8.372         8.372         8.111         0.261
RESID 817 (S):        N       114.277       114.277       112.361         1.916
RESID 817 (S):       HA         4.194         4.194         4.349        -0.155
RESID 817 (S):       CA        60.521        60.521        60.217         0.304
RESID 817 (S):       CB        63.185        63.185        63.414        -0.229
RESID 817 (S):        H         8.074         8.074         8.296        -0.222
RESID 818 (R):        N       121.493       121.493       120.840         0.653
RESID 818 (R):       HA         4.124         4.124         4.162        -0.038
RESID 818 (R):       CA        57.684        57.684        58.380        -0.696
RESID 818 (R):       CB        30.315        30.315        29.806         0.509
RESID 818 (R):        H         7.288         7.288         8.072        -0.784
RESID 819 (E):        N       119.737       119.737       118.930         0.807
RESID 819 (E):       HA         4.101         4.101         4.129        -0.028
RESID 819 (E):       CA        57.066        57.066        58.362        -1.296
RESID 819 (E):       CB        30.491        30.491        29.214         1.277
RESID 819 (E):        H         8.045         8.045         7.667         0.378
RESID 820 (T):        N       112.128       112.128       110.592         1.536
RESID 820 (T):       HA         4.280         4.280         4.149         0.131
RESID 820 (T):       CA        62.055        62.055        62.034         0.021
RESID 820 (T):       CB        69.828        69.828        69.099         0.729
RESID 820 (T):        H         7.760         7.760         7.397         0.363
RESID 821 (A):        N       126.098       126.098       124.033         2.065
RESID 821 (A):       HA         4.284         4.284         4.406        -0.122
RESID 821 (A):       CA        52.726        52.726        50.855         1.871
RESID 821 (A):       CB        19.304        19.304        21.201        -1.897
RESID 821 (A):        H         7.957         7.957         7.313         0.644
RESID 822 (D):        N       119.904       119.904       120.822        -0.918
RESID 822 (D):       HA         4.613         4.613         4.498         0.115
RESID 822 (D):       CA        54.335        54.335        55.047        -0.713
RESID 822 (D):       CB        41.032        41.032        41.248        -0.215
RESID 822 (D):        H         8.352         8.352         8.358        -0.006
RESID 823 (T):        N       114.142       114.142       114.908        -0.766
RESID 823 (T):       HA         4.278         4.278         4.622        -0.344
RESID 823 (T):       CA        62.117        62.117        61.125         0.992
RESID 823 (T):       CB        69.584        69.584        71.429        -1.845
RESID 823 (T):        H         8.079         8.079         8.119        -0.040
RESID 824 (D):        N       123.261       123.261       122.355         0.906
RESID 824 (D):       HA         4.657         4.657         4.549         0.108
RESID 824 (D):       CA        54.786        54.786        56.928        -2.142
RESID 824 (D):       CB        41.085        41.085        41.024         0.061
RESID 824 (D):        H         8.431         8.431         8.989        -0.558
RESID 825 (T):        N       114.932       114.932       112.981         1.951
RESID 825 (T):       HA         4.161         4.161         4.237        -0.076
RESID 825 (T):       CA        63.109        63.109        64.274        -1.165
RESID 825 (T):       CB        69.455        69.455        68.507         0.948
RESID 825 (T):        H         8.155         8.155         8.464        -0.309
RESID 826 (A):        N       124.961       124.961       124.691         0.270
RESID 826 (A):       HA         4.160         4.160         3.990         0.170
RESID 826 (A):       CA        54.392        54.392        55.024        -0.632
RESID 826 (A):       CB        18.610        18.610        18.300         0.310
RESID 826 (A):        H         8.379         8.379         7.377         1.002
RESID 827 (D):        N       117.765       117.765       117.674         0.091
RESID 827 (D):       HA         4.425         4.425         4.267         0.158
RESID 827 (D):       CA        56.051        56.051        57.071        -1.020
RESID 827 (D):       CB        40.559        40.559        40.971        -0.412
RESID 827 (D):        H         8.250         8.250         8.208         0.042
RESID 828 (Q):        N       120.523       120.523       118.119         2.404
RESID 828 (Q):       HA         4.091         4.091         4.085         0.006
RESID 828 (Q):       CA        57.814        57.814        58.268        -0.454
RESID 828 (Q):       CB        28.549        28.549        28.736        -0.187
RESID 828 (Q):        H         8.076         8.076         7.976         0.100
RESID 829 (V):        N       120.970       120.970       120.034         0.936
RESID 829 (V):       HA         3.525         3.525         3.867        -0.342
RESID 829 (V):       CA        65.194        65.194        63.958         1.236
RESID 829 (V):       CB        31.541        31.541        31.971        -0.430
RESID 829 (V):        H         8.051         8.051         7.395         0.656
RESID 830 (M):        N       119.572       119.572       118.270         1.302
RESID 830 (M):       HA         4.006         4.006         3.395         0.611
RESID 830 (M):       CA        57.977        57.977        57.995        -0.018
RESID 830 (M):       CB        31.995        31.995        31.835         0.160
RESID 830 (M):        H         8.110         8.110         8.112        -0.002
RESID 831 (A):        N       121.059       121.059       121.873        -0.814
RESID 831 (A):       HA         4.045         4.045         3.987         0.058
RESID 831 (A):       CA        54.501        54.501        54.181         0.320
RESID 831 (A):       CB        18.067        18.067        17.793         0.274
RESID 831 (A):        H         7.836         7.836         7.580         0.256
RESID 832 (S):        N       114.256       114.256       115.172        -0.916
RESID 832 (S):       HA         4.141         4.141         4.058         0.083
RESID 832 (S):       CA        60.845        60.845        60.806         0.039
RESID 832 (S):       CB        62.613        62.613        62.854        -0.241
RESID 832 (S):        H         7.714         7.714         7.593         0.121
RESID 833 (F):        N       121.847       121.847       121.006         0.841
RESID 833 (F):       HA         3.823         3.823         4.242        -0.419
RESID 833 (F):       CA        58.627        58.627        58.423         0.203
RESID 833 (F):       CB        38.127        38.127        37.673         0.454
RESID 833 (F):        H         7.740         7.740         7.457         0.283
RESID 834 (K):        N       118.759       118.759       120.313        -1.554
RESID 834 (K):       HA         3.589         3.589         3.402         0.187
RESID 834 (K):       CA        59.384        59.384        58.336         1.048
RESID 834 (K):       CB        32.143        32.143        31.786         0.357
RESID 834 (K):        H         7.843         7.843         7.628         0.215
RESID 835 (I):        N       118.537       118.537       120.018        -1.481
RESID 835 (I):       HA         3.736         3.736         3.734         0.002
RESID 835 (I):       CA        63.714        63.714        64.559        -0.845
RESID 835 (I):       CB        37.825        37.825        38.059        -0.234
RESID 835 (I):        H         7.315         7.315         7.370        -0.055
RESID 836 (L):        N       121.201       121.201       120.092         1.109
RESID 836 (L):       HA         3.955         3.955         3.866         0.089
RESID 836 (L):       CA        57.074        57.074        57.174        -0.100
RESID 836 (L):       CB        42.415        42.415        42.122         0.293
RESID 836 (L):        H         7.625         7.625         8.015        -0.390
RESID 837 (A):        N       119.184       119.184       118.172         1.012
RESID 837 (A):       HA         3.895         3.895         3.922        -0.027
RESID 837 (A):       CA        53.301        53.301        53.825        -0.524
RESID 837 (A):       CB        19.338        19.338        19.252         0.086
RESID 837 (A):        H         8.099         8.099         7.667         0.432
RESID 838 (G):        N       107.030       107.030       106.640         0.390
RESID 838 (G):       CA        46.918        46.918        46.191         0.726
RESID 838 (G):        H         7.676         7.676         7.979        -0.303
RESID 839 (D):        N       122.291       122.291       124.686        -2.395
RESID 839 (D):       HA         4.477         4.477         4.839        -0.362
RESID 839 (D):       CA        54.511        54.511        53.103         1.408
RESID 839 (D):       CB        40.181        40.181        41.370        -1.189
RESID 839 (D):        H         8.704         8.704         8.210         0.494
RESID 840 (K):        N       117.582       117.582       119.622        -2.040
RESID 840 (K):       HA         4.301         4.301         4.541        -0.240
RESID 840 (K):       CA        55.780        55.780        55.889        -0.109
RESID 840 (K):       CB        33.710        33.710        33.579         0.131
RESID 840 (K):        H         7.583         7.583         7.315         0.268
RESID 841 (N):        N       116.678       116.678       117.367        -0.689
RESID 841 (N):       HA         4.611         4.611         4.600         0.011
RESID 841 (N):       CA        53.466        53.466        54.276        -0.810
RESID 841 (N):       CB        39.155        39.155        38.983         0.172
RESID 841 (N):        H         8.693         8.693         8.942        -0.249
RESID 842 (Y):        N       112.236       112.236       114.174        -1.938
RESID 842 (Y):       HA         4.986         4.986         4.758         0.228
RESID 842 (Y):       CA        54.918        54.918        56.003        -1.085
RESID 842 (Y):       CB        40.595        40.595        40.689        -0.094
RESID 842 (Y):        H         6.637         6.637         7.368        -0.731
RESID 843 (I):        N       115.475       115.475       120.434        -4.959
RESID 843 (I):       HA         4.792         4.792         4.604         0.188
RESID 843 (I):       CA        58.957        58.957        58.343         0.614
RESID 843 (I):       CB        43.009        43.009        43.001         0.008
RESID 843 (I):        H         8.630         8.630         9.219        -0.589
RESID 844 (T):        N       117.169       117.169       118.905        -1.736
RESID 844 (T):       HA         5.370         5.370         5.127         0.243
RESID 844 (T):       CA        60.177        60.177        60.938        -0.761
RESID 844 (T):       CB        71.088        71.088        70.415         0.673
RESID 844 (T):        H         9.330         9.330         9.359        -0.029
RESID 845 (M):        N       119.860       119.860       120.392        -0.532
RESID 845 (M):       HA         3.824         3.824         3.958        -0.134
RESID 845 (M):       CA        60.321        60.321        60.468        -0.147
RESID 845 (M):       CB        33.030        33.030        32.236         0.794
RESID 845 (M):        H         8.556         8.556         8.844        -0.288
RESID 846 (D):        N       116.363       116.363       117.931        -1.568
RESID 846 (D):       HA         4.280         4.280         4.427        -0.147
RESID 846 (D):       CA        57.404        57.404        56.379         1.025
RESID 846 (D):       CB        40.584        40.584        40.098         0.486
RESID 846 (D):        H         8.377         8.377         8.621        -0.244
RESID 847 (E):        N       120.577       120.577       118.789         1.788
RESID 847 (E):       HA         3.854         3.854         4.113        -0.259
RESID 847 (E):       CA        59.657        59.657        58.727         0.930
RESID 847 (E):       CB        29.660        29.660        30.061        -0.401
RESID 847 (E):        H         7.855         7.855         7.703         0.152
RESID 848 (L):        N       118.714       118.714       119.636        -0.922
RESID 848 (L):       HA         3.822         3.822         3.944        -0.122
RESID 848 (L):       CA        58.725        58.725        57.724         1.001
RESID 848 (L):       CB        42.457        42.457        41.865         0.592
RESID 848 (L):        H         7.849         7.849         7.542         0.307
RESID 849 (R):        N       113.972       113.972       114.894        -0.922
RESID 849 (R):       HA         3.924         3.924         4.463        -0.539
RESID 849 (R):       CA        58.595        58.595        57.201         1.394
RESID 849 (R):       CB        30.100        30.100        29.219         0.881
RESID 849 (R):        H         8.053         8.053         7.952         0.101
RESID 850 (R):        N       118.178       118.178       118.292        -0.114
RESID 850 (R):       HA         4.193         4.193         4.419        -0.226
RESID 850 (R):       CA        58.245        58.245        57.552         0.693
RESID 850 (R):       CB        31.120        31.120        31.657        -0.536
RESID 850 (R):        H         7.743         7.743         7.908        -0.165
RESID 851 (E):        N       115.518       115.518       119.492        -3.974
RESID 851 (E):       HA         4.350         4.350         4.389        -0.039
RESID 851 (E):       CA        56.886        56.886        57.578        -0.692
RESID 851 (E):       CB        31.590        31.590        31.135         0.455
RESID 851 (E):        H         7.596         7.596         7.810        -0.214
RESID 852 (L):        N       119.148       119.148       120.971        -1.823
RESID 852 (L):       HA         4.894         4.894         5.328        -0.434
RESID 852 (L):       CA        52.174        52.174        51.389         0.785
RESID 852 (L):       CB        42.469        42.469        41.992         0.477
RESID 852 (L):        H         7.890         7.890         8.126        -0.236
RESID 853 (P):       HA         4.347         4.347         4.477        -0.130
RESID 853 (P):       CA        65.119        65.119        63.920         1.199
RESID 853 (P):       CB        31.631        31.631        30.277         1.354
RESID 854 (P):       HA         4.270         4.270         4.486        -0.216
RESID 854 (P):       CA        66.336        66.336        61.943         4.393
RESID 854 (P):       CB        32.256        32.256        33.268        -1.012
RESID 855 (D):        N       114.865       114.865       119.334        -4.469
RESID 855 (D):       HA         4.349         4.349         4.262         0.087
RESID 855 (D):       CA        56.913        56.913        58.028        -1.115
RESID 855 (D):       CB        39.244        39.244        40.794        -1.550
RESID 855 (D):        H         8.801         8.801         8.255         0.546
RESID 856 (Q):        N       121.465       121.465       118.352         3.113
RESID 856 (Q):       HA         4.199         4.199         4.295        -0.096
RESID 856 (Q):       CA        58.317        58.317        59.340        -1.023
RESID 856 (Q):       CB        29.247        29.247        28.207         1.040
RESID 856 (Q):        H         7.472         7.472         8.605        -1.133
RESID 857 (A):        N       122.805       122.805       122.305         0.500
RESID 857 (A):       HA         3.799         3.799         3.853        -0.054
RESID 857 (A):       CA        56.303        56.303        56.243         0.060
RESID 857 (A):       CB        17.944        17.944        18.317        -0.373
RESID 857 (A):        H         8.882         8.882         8.200         0.682
RESID 858 (E):        N       114.094       114.094       119.081        -4.987
RESID 858 (E):       HA         4.024         4.024         4.032        -0.008
RESID 858 (E):       CA        58.682        58.682        58.865        -0.183
RESID 858 (E):       CB        28.639        28.639        29.016        -0.377
RESID 858 (E):        H         8.155         8.155         7.801         0.354
RESID 859 (Y):        N       120.665       120.665       122.278        -1.613
RESID 859 (Y):       HA         4.084         4.084         4.212        -0.128
RESID 859 (Y):       CA        61.006        61.006        61.089        -0.083
RESID 859 (Y):       CB        38.687        38.687        38.213         0.474
RESID 859 (Y):        H         7.708         7.708         8.484        -0.776
RESID 860 (C):        N       115.812       115.812       117.744        -1.932
RESID 860 (C):       HA         4.158         4.158         3.394         0.764
RESID 860 (C):       CA        64.254        64.254        63.831         0.422
RESID 860 (C):       CB        27.304        27.304        26.766         0.538
RESID 860 (C):        H         8.113         8.113         7.722         0.391
RESID 861 (I):        N       120.078       120.078       121.195        -1.117
RESID 861 (I):       HA         3.339         3.339         3.623        -0.284
RESID 861 (I):       CA        65.643        65.643        65.374         0.269
RESID 861 (I):       CB        38.714        38.714        37.648         1.066
RESID 861 (I):        H         8.453         8.453         8.251         0.202
RESID 862 (A):        N       116.691       116.691       120.942        -4.251
RESID 862 (A):       HA         4.209         4.209         4.277        -0.068
RESID 862 (A):       CA        53.222        53.222        54.228        -1.006
RESID 862 (A):       CB        19.002        19.002        18.911         0.091
RESID 862 (A):        H         7.307         7.307         8.363        -1.056
RESID 863 (R):        N       117.226       117.226       114.770         2.456
RESID 863 (R):       HA         4.274         4.274         4.624        -0.350
RESID 863 (R):       CA        56.051        56.051        54.935         1.116
RESID 863 (R):       CB        31.389        31.389        30.759         0.630
RESID 863 (R):        H         7.358         7.358         7.541        -0.183
RESID 864 (M):        N       117.583       117.583       118.855        -1.272
RESID 864 (M):       HA         4.561         4.561         4.559         0.002
RESID 864 (M):       CA        54.927        54.927        55.257        -0.330
RESID 864 (M):       CB        37.418        37.418        35.252         2.166
RESID 864 (M):        H         7.153         7.153         7.507        -0.354
RESID 865 (A):        N       124.643       124.643       123.355         1.288
RESID 865 (A):       HA         3.866         3.866         4.953        -1.087
RESID 865 (A):       CA        49.194        49.194        48.750         0.444
RESID 865 (A):       CB        18.647        18.647        18.572         0.075
RESID 865 (A):        H         8.557         8.557         8.137         0.420
RESID 866 (P):       HA         4.496         4.496         4.487         0.009
RESID 866 (P):       CA        62.724        62.724        62.912        -0.188
RESID 866 (P):       CB        31.980        31.980        30.291         1.689
RESID 867 (Y):        N       122.461       122.461       125.260        -2.799
RESID 867 (Y):       HA         4.728         4.728         4.571         0.157
RESID 867 (Y):       CA        57.096        57.096        56.757         0.339
RESID 867 (Y):       CB        39.175        39.175        38.045         1.130
RESID 867 (Y):        H         8.128         8.128         8.101         0.027
RESID 868 (T):       HA         4.351         4.351         4.617        -0.266
RESID 868 (T):       CA        60.271        60.271        60.205         0.066
RESID 868 (T):       CB        68.737        68.737        71.360        -2.623
RESID 869 (G):       CA        44.914        44.914        44.684         0.230
RESID 870 (P):       HA         4.329         4.329         4.432        -0.103
RESID 870 (P):       CA        64.697        64.697        64.151         0.546
RESID 870 (P):       CB        31.579        31.579        32.076        -0.497
RESID 871 (D):        N       116.207       116.207       117.468        -1.261
RESID 871 (D):       HA         4.604         4.604         4.759        -0.155
RESID 871 (D):       CA        52.749        52.749        53.241        -0.492
RESID 871 (D):       CB        38.929        38.929        41.018        -2.089
RESID 871 (D):        H         9.267         9.267         8.538         0.729
RESID 872 (S):        N       112.349       112.349       114.572        -2.223
RESID 872 (S):       HA         3.497         3.497         4.549        -1.052
RESID 872 (S):       CA        59.065        59.065        56.863         2.202
RESID 872 (S):       CB        63.125        63.125        64.525        -1.400
RESID 872 (S):        H         7.487         7.487         7.301         0.186
RESID 873 (V):        N       113.567       113.567       114.543        -0.976
RESID 873 (V):       HA         4.729         4.729         4.599         0.130
RESID 873 (V):       CA        58.044        58.044        57.930         0.114
RESID 873 (V):       CB        32.911        32.911        33.058        -0.147
RESID 873 (V):        H         6.411         6.411         8.097        -1.686
RESID 874 (P):       HA         4.296         4.296         4.439        -0.143
RESID 874 (P):       CA        64.335        64.335        63.327         1.008
RESID 874 (P):       CB        31.515        31.515        30.476         1.039
RESID 875 (G):        N       112.118       112.118       111.767         0.351
RESID 875 (G):       CA        45.557        45.557        44.969         0.587
RESID 875 (G):        H         8.800         8.800         8.109         0.691
RESID 876 (A):        N       120.262       120.262       123.304        -3.042
RESID 876 (A):       HA         4.100         4.100         5.458        -1.358
RESID 876 (A):       CA        53.073        53.073        50.561         2.512
RESID 876 (A):       CB        20.508        20.508        21.819        -1.311
RESID 876 (A):        H         7.762         7.762         7.788        -0.026
RESID 877 (L):        N       125.695       125.695       121.565         4.130
RESID 877 (L):       HA         4.776         4.776         5.211        -0.435
RESID 877 (L):       CA        54.269        54.269        53.649         0.620
RESID 877 (L):       CB        44.799        44.799        46.980        -2.180
RESID 877 (L):        H         9.595         9.595         9.302         0.293
RESID 878 (D):        N       119.823       119.823       122.034        -2.211
RESID 878 (D):       HA         4.879         4.879         4.526         0.353
RESID 878 (D):       CA        51.997        51.997        52.910        -0.913
RESID 878 (D):       CB        40.781        40.781        41.779        -0.998
RESID 878 (D):        H         9.031         9.031         7.864         1.167
RESID 879 (Y):        N       126.556       126.556       123.804         2.752
RESID 879 (Y):       HA         4.591         4.591         4.358         0.233
RESID 879 (Y):       CA        59.396        59.396        60.315        -0.919
RESID 879 (Y):       CB        37.321        37.321        37.828        -0.507
RESID 879 (Y):        H         7.456         7.456         8.162        -0.706
RESID 880 (M):        N       119.958       119.958       115.103         4.855
RESID 880 (M):       HA         4.605         4.605         4.802        -0.197
RESID 880 (M):       CA        56.044        56.044        57.473        -1.429
RESID 880 (M):       CB        30.101        30.101        33.301        -3.200
RESID 880 (M):        H         7.627         7.627         7.394         0.233
RESID 881 (S):        N       114.328       114.328       116.027        -1.699
RESID 881 (S):       HA         4.471         4.471         4.575        -0.104
RESID 881 (S):       CA        58.917        58.917        57.411         1.506
RESID 881 (S):       CB        64.447        64.447        63.586         0.862
RESID 881 (S):        H         7.726         7.726         8.279        -0.553
RESID 882 (F):        N       122.735       122.735       119.423         3.312
RESID 882 (F):       HA         4.722         4.722         4.383         0.339
RESID 882 (F):       CA        59.231        59.231        57.334         1.897
RESID 882 (F):       CB        40.285        40.285        38.994         1.291
RESID 882 (F):        H         7.385         7.385         7.395        -0.010
RESID 883 (S):        N       120.156       120.156       117.337         2.819
RESID 883 (S):       HA         4.299         4.299         4.315        -0.016
RESID 883 (S):       CA        57.280        57.280        59.038        -1.758
RESID 883 (S):       CB        64.601        64.601        63.851         0.750
RESID 883 (S):        H         7.472         7.472         8.129        -0.657
RESID 884 (T):        N       110.683       110.683       114.380        -3.697
RESID 884 (T):       HA         3.966         3.966         3.972        -0.006
RESID 884 (T):       CA        63.465        63.465        62.822         0.643
RESID 884 (T):       CB        68.899        68.899        68.885         0.015
RESID 884 (T):        H         7.996         7.996         8.096        -0.100
RESID 885 (A):        N       125.456       125.456       124.734         0.722
RESID 885 (A):       HA         4.236         4.236         4.511        -0.275
RESID 885 (A):       CA        52.030        52.030        50.737         1.293
RESID 885 (A):       CB        19.225        19.225        20.521        -1.296
RESID 885 (A):        H         7.905         7.905         7.455         0.450
RESID 886 (L):        N       120.638       120.638       124.849        -4.211
RESID 886 (L):       HA         4.002         4.002         3.846         0.156
RESID 886 (L):       CA        55.462        55.462        55.481        -0.019
RESID 886 (L):       CB        42.265        42.265        41.921         0.344
RESID 886 (L):        H         8.079         8.079         8.504        -0.425
RESID 887 (Y):        N       121.526       121.526       117.627         3.899
RESID 887 (Y):       HA         4.356         4.356         4.322         0.034
RESID 887 (Y):       CA        58.750        58.750        58.395         0.355
RESID 887 (Y):       CB        38.569        38.569        34.963         3.606
RESID 887 (Y):        H         8.267         8.267         8.045         0.222
RESID 888 (G):        N       112.379       112.379       105.765         6.614
RESID 888 (G):       CA        45.090        45.090        45.185        -0.095
RESID 888 (G):        H         8.087         8.087         7.875         0.212
RESID 889 (E):        N       120.255       120.255       117.688         2.567
RESID 889 (E):       HA         4.256         4.256         4.281        -0.025
RESID 889 (E):       CA        56.445        56.445        56.207         0.238
RESID 889 (E):       CB        30.393        30.393        29.923         0.470
RESID 889 (E):        H         7.994         7.994         7.552         0.442
RESID 890 (S):        N       116.375       116.375       117.550        -1.175
RESID 890 (S):       HA         4.415         4.415         4.469        -0.054
RESID 890 (S):       CA        58.204        58.204        59.240        -1.036
RESID 890 (S):       CB        63.913        63.913        63.512         0.401
RESID 890 (S):        H         8.329         8.329         7.547         0.782
RESID 891 (D):        N       123.017       123.017       127.360        -4.343
RESID 891 (D):       HA         4.610         4.610         4.599         0.011
RESID 891 (D):       CA        54.371        54.371        55.260        -0.889
RESID 891 (D):       CB        41.013        41.013        41.378        -0.365
RESID 891 (D):        H         8.394         8.394         8.765        -0.371

                         N          HA           C          CA          CB           H
RESID 743 (I):      -3.639       0.227       -----      -1.514       0.057       0.063
RESID 744 (S):       3.256      -0.182       -----       1.111       0.465       0.327
RESID 745 (Q):      -2.716      -0.141       -----      -0.466      -0.227       0.044
RESID 746 (E):      -0.991      -0.094       -----       1.202      -0.555       0.950
RESID 747 (Q):       0.704      -0.378       -----      -0.740       0.734      -0.630
RESID 748 (M):       3.979      -0.310       -----      -0.939      -1.431       0.254
RESID 749 (N):      -1.109      -0.030       -----      -0.236      -1.526       0.469
RESID 750 (E):       2.560       0.035       -----       0.684      -0.066      -0.572
RESID 751 (F):      -2.347       0.608       -----      -1.243      -1.771       0.203
RESID 752 (R):       0.263       0.171       -----       1.422       1.440       1.022
RESID 753 (A):      -1.325      -0.206       -----       0.832      -0.015       0.011
RESID 754 (S):       0.547       0.246       -----       2.778       0.710       0.569
RESID 755 (F):       3.346      -0.251       -----       3.158       1.302       1.065
RESID 756 (N):       0.518       0.317       -----       3.315      -1.067       0.985
RESID 757 (H):      -1.320      -0.184       -----       0.867      -0.224       0.610
RESID 758 (F):      -3.708      -0.347       -----       2.595      -1.596       0.114
RESID 759 (D):      -0.736       0.030       -----      -2.770      -2.814      -0.629
RESID 760 (R):      -0.973      -0.312       -----      -0.535      -0.344      -0.575
RESID 761 (D):      -0.162      -0.226       -----      -1.609      -1.317      -0.271
RESID 762 (H):      -1.610      -0.072       -----      -0.388      -2.541      -0.158
RESID 763 (S):       1.193      -0.020       -----      -0.022       1.162       0.005
RESID 764 (G):       6.415       -----       -----       0.021       -----       2.195
RESID 765 (T):      -2.755      -0.407       -----      -1.369       1.223      -0.249
RESID 766 (L):       0.552       0.218       -----      -1.402      -0.548       0.379
RESID 767 (G):      -0.246       -----       -----       0.222       -----      -0.028
RESID 768 (P):       -----      -0.221       -----       0.965      -0.001       -----
RESID 769 (E):      -3.218      -0.173       -----       0.819      -0.415      -0.449
RESID 770 (E):       2.426       0.047       -----      -0.450       1.387      -0.365
RESID 771 (F):      -4.237       0.072       -----      -1.990      -0.636       0.197
RESID 772 (K):       1.261      -0.367       -----       2.153       1.035       0.420
RESID 773 (A):      -2.139      -0.121       -----       1.215      -1.264      -0.311
RESID 774 (C):       1.580      -0.393       -----      -0.277      -0.116      -0.016
RESID 775 (L):       0.699       0.225       -----       1.552      -0.038       0.898
RESID 776 (I):       2.827       1.633       -----       0.999       0.837       1.672
RESID 777 (S):       5.734       0.082       -----       1.557      -0.152       0.404
RESID 778 (L):       3.740       0.142       -----       1.508       0.653       0.708
RESID 779 (G):      -0.214       -----       -----       0.248       -----       0.669
RESID 780 (Y):       1.337      -0.329       -----       4.188      -0.094       0.629
RESID 781 (D):       6.748      -0.056       -----      -0.267      -0.628      -0.242
RESID 782 (I):       9.242      -0.077       -----      -0.054      -2.619       0.394
RESID 783 (G):       5.915       -----       -----       0.348       -----      -0.014
RESID 784 (N):       1.194       0.261       -----      -0.512      -1.310      -0.140
RESID 785 (D):      -0.226       0.064       -----      -0.497      -1.409       0.498
RESID 786 (P):       -----      -0.217       -----       1.081      -0.325       -----
RESID 787 (Q):       0.312      -0.012       -----       0.569       0.190      -0.157
RESID 788 (G):       4.771       -----       -----       0.608       -----       0.229
RESID 789 (E):      -0.638      -0.036       -----       0.204      -0.256      -0.244
RESID 790 (A):       0.355       0.055       -----      -0.222      -0.541       0.475
RESID 791 (E):       3.550       0.592       -----      -0.581      -0.424       0.445
RESID 792 (F):      -1.551      -0.177       -----       0.653      -0.044      -0.060
RESID 793 (A):      -2.119       0.483       -----       0.277      -0.258       0.076
RESID 794 (R):       1.794      -0.069       -----       0.256      -0.117       0.291
RESID 795 (I):       1.064      -0.312       -----       0.513       0.000       0.238
RESID 796 (M):       0.540       0.259       -----      -1.467      -1.479       0.375
RESID 797 (S):       1.588      -0.185       -----       0.750      -0.857       0.156
RESID 798 (I):       5.133      -0.313       -----       0.805       0.350      -0.327
RESID 799 (V):      -1.987       0.215       -----       1.375       1.094      -0.119
RESID 800 (D):      -0.215       0.130       -----       1.846      -0.367       0.461
RESID 801 (P):       -----      -0.073       -----       1.021      -0.282       -----
RESID 802 (N):      -1.133       0.051       -----       0.263      -1.756       1.323
RESID 803 (R):       1.361      -0.405       -----      -0.049      -0.816       0.016
RESID 804 (L):       6.754      -0.558       -----       2.098       1.258       2.376
RESID 805 (G):       3.059       -----       -----      -0.837       -----       2.519
RESID 806 (V):      -5.461       0.162       -----      -0.959       2.345      -0.274
RESID 807 (V):       0.074      -0.183       -----       0.866       0.249       0.189
RESID 808 (T):      -0.750      -0.112       -----       1.884      -0.607       0.189
RESID 809 (F):       3.386      -0.842       -----       0.327       0.608       1.066
RESID 810 (Q):       0.078      -0.609       -----       0.715      -0.290       0.863
RESID 811 (A):      -0.928      -0.047       -----       1.085       0.504       0.012
RESID 812 (F):       1.117      -0.417       -----      -0.309       0.943       0.086
RESID 813 (I):      -0.560      -0.816       -----       0.703      -0.121       0.478
RESID 814 (D):       2.874      -0.130       -----      -0.113      -0.557       0.291
RESID 815 (F):       0.821      -0.257       -----       0.523       0.083       0.044
RESID 816 (M):      -2.765      -0.257       -----      -1.495      -1.439       0.261
RESID 817 (S):       1.916      -0.155       -----       0.304      -0.229      -0.222
RESID 818 (R):       0.653      -0.038       -----      -0.696       0.509      -0.784
RESID 819 (E):       0.807      -0.028       -----      -1.296       1.277       0.378
RESID 820 (T):       1.536       0.131       -----       0.021       0.729       0.363
RESID 821 (A):       2.065      -0.122       -----       1.871      -1.897       0.644
RESID 822 (D):      -0.918       0.115       -----      -0.713      -0.215      -0.006
RESID 823 (T):      -0.766      -0.344       -----       0.992      -1.845      -0.040
RESID 824 (D):       0.906       0.108       -----      -2.142       0.061      -0.558
RESID 825 (T):       1.951      -0.076       -----      -1.165       0.948      -0.309
RESID 826 (A):       0.270       0.170       -----      -0.632       0.310       1.002
RESID 827 (D):       0.091       0.158       -----      -1.020      -0.412       0.042
RESID 828 (Q):       2.404       0.006       -----      -0.454      -0.187       0.100
RESID 829 (V):       0.936      -0.342       -----       1.236      -0.430       0.656
RESID 830 (M):       1.302       0.611       -----      -0.018       0.160      -0.002
RESID 831 (A):      -0.814       0.058       -----       0.320       0.274       0.256
RESID 832 (S):      -0.916       0.083       -----       0.039      -0.241       0.121
RESID 833 (F):       0.841      -0.419       -----       0.203       0.454       0.283
RESID 834 (K):      -1.554       0.187       -----       1.048       0.357       0.215
RESID 835 (I):      -1.481       0.002       -----      -0.845      -0.234      -0.055
RESID 836 (L):       1.109       0.089       -----      -0.100       0.293      -0.390
RESID 837 (A):       1.012      -0.027       -----      -0.524       0.086       0.432
RESID 838 (G):       0.390       -----       -----       0.726       -----      -0.303
RESID 839 (D):      -2.395      -0.362       -----       1.408      -1.189       0.494
RESID 840 (K):      -2.040      -0.240       -----      -0.109       0.131       0.268
RESID 841 (N):      -0.689       0.011       -----      -0.810       0.172      -0.249
RESID 842 (Y):      -1.938       0.228       -----      -1.085      -0.094      -0.731
RESID 843 (I):      -4.959       0.188       -----       0.614       0.008      -0.589
RESID 844 (T):      -1.736       0.243       -----      -0.761       0.673      -0.029
RESID 845 (M):      -0.532      -0.134       -----      -0.147       0.794      -0.288
RESID 846 (D):      -1.568      -0.147       -----       1.025       0.486      -0.244
RESID 847 (E):       1.788      -0.259       -----       0.930      -0.401       0.152
RESID 848 (L):      -0.922      -0.122       -----       1.001       0.592       0.307
RESID 849 (R):      -0.922      -0.539       -----       1.394       0.881       0.101
RESID 850 (R):      -0.114      -0.226       -----       0.693      -0.536      -0.165
RESID 851 (E):      -3.974      -0.039       -----      -0.692       0.455      -0.214
RESID 852 (L):      -1.823      -0.434       -----       0.785       0.477      -0.236
RESID 853 (P):       -----      -0.130       -----       1.199       1.354       -----
RESID 854 (P):       -----      -0.216       -----       4.393      -1.012       -----
RESID 855 (D):      -4.469       0.087       -----      -1.115      -1.550       0.546
RESID 856 (Q):       3.113      -0.096       -----      -1.023       1.040      -1.133
RESID 857 (A):       0.500      -0.054       -----       0.060      -0.373       0.682
RESID 858 (E):      -4.987      -0.008       -----      -0.183      -0.377       0.354
RESID 859 (Y):      -1.613      -0.128       -----      -0.083       0.474      -0.776
RESID 860 (C):      -1.932       0.764       -----       0.422       0.538       0.391
RESID 861 (I):      -1.117      -0.284       -----       0.269       1.066       0.202
RESID 862 (A):      -4.251      -0.068       -----      -1.006       0.091      -1.056
RESID 863 (R):       2.456      -0.350       -----       1.116       0.630      -0.183
RESID 864 (M):      -1.272       0.002       -----      -0.330       2.166      -0.354
RESID 865 (A):       1.288      -1.087       -----       0.444       0.075       0.420
RESID 866 (P):       -----       0.009       -----      -0.188       1.689       -----
RESID 867 (Y):      -2.799       0.157       -----       0.339       1.130       0.027
RESID 868 (T):       -----      -0.266       -----       0.066      -2.623       -----
RESID 869 (G):       -----       -----       -----       0.230       -----       -----
RESID 870 (P):       -----      -0.103       -----       0.546      -0.497       -----
RESID 871 (D):      -1.261      -0.155       -----      -0.492      -2.089       0.729
RESID 872 (S):      -2.223      -1.052       -----       2.202      -1.400       0.186
RESID 873 (V):      -0.976       0.130       -----       0.114      -0.147      -1.686
RESID 874 (P):       -----      -0.143       -----       1.008       1.039       -----
RESID 875 (G):       0.351       -----       -----       0.587       -----       0.691
RESID 876 (A):      -3.042      -1.358       -----       2.512      -1.311      -0.026
RESID 877 (L):       4.130      -0.435       -----       0.620      -2.180       0.293
RESID 878 (D):      -2.211       0.353       -----      -0.913      -0.998       1.167
RESID 879 (Y):       2.752       0.233       -----      -0.919      -0.507      -0.706
RESID 880 (M):       4.855      -0.197       -----      -1.429      -3.200       0.233
RESID 881 (S):      -1.699      -0.104       -----       1.506       0.862      -0.553
RESID 882 (F):       3.312       0.339       -----       1.897       1.291      -0.010
RESID 883 (S):       2.819      -0.016       -----      -1.758       0.750      -0.657
RESID 884 (T):      -3.697      -0.006       -----       0.643       0.015      -0.100
RESID 885 (A):       0.722      -0.275       -----       1.293      -1.296       0.450
RESID 886 (L):      -4.211       0.156       -----      -0.019       0.344      -0.425
RESID 887 (Y):       3.899       0.034       -----       0.355       3.606       0.222
RESID 888 (G):       6.614       -----       -----      -0.095       -----       0.212
RESID 889 (E):       2.567      -0.025       -----       0.238       0.470       0.442
RESID 890 (S):      -1.175      -0.054       -----      -1.036       0.401       0.782
RESID 891 (D):      -4.343       0.011       -----      -0.889      -0.365      -0.371

DATA CS_STAT_INFO  N  RMS:   2.713 ppm Count: 139 Average Difference: -0.251 +/- 2.711 ppm
DATA CS_STAT_INFO  HA RMS:   0.343 ppm Count: 160 Average Difference:  0.047 +/- 0.341 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   1.204 ppm Count: 150 Average Difference: -0.282 +/- 1.175 ppm
DATA CS_STAT_INFO  CB RMS:   1.073 ppm Count: 140 Average Difference:  0.121 +/- 1.070 ppm
DATA CS_STAT_INFO  HN RMS:   0.620 ppm Count: 139 Average Difference: -0.164 +/- 0.600 ppm


############################################################################
For conformer 11:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 742 (S):       HA         4.525         4.525         3.961         0.564
RESID 742 (S):       CA        58.148        58.148        61.450        -3.302
RESID 742 (S):       CB        63.791        63.791        62.545         1.246
RESID 743 (I):        N       122.172       122.172       121.366         0.806
RESID 743 (I):       HA         4.362         4.362         4.371        -0.009
RESID 743 (I):       CA        60.421        60.421        59.802         0.619
RESID 743 (I):       CB        39.166        39.166        40.434        -1.268
RESID 743 (I):        H         8.132         8.132         7.861         0.271
RESID 744 (S):        N       123.144       123.144       122.314         0.830
RESID 744 (S):       HA         4.449         4.449         4.780        -0.331
RESID 744 (S):       CA        57.463        57.463        57.319         0.144
RESID 744 (S):       CB        65.219        65.219        65.827        -0.608
RESID 744 (S):        H         8.848         8.848         8.389         0.459
RESID 745 (Q):        N       121.619       121.619       121.150         0.469
RESID 745 (Q):       HA         3.952         3.952         4.164        -0.212
RESID 745 (Q):       CA        58.768        58.768        58.965        -0.197
RESID 745 (Q):       CB        28.512        28.512        28.661        -0.149
RESID 745 (Q):        H         9.042         9.042         9.118        -0.076
RESID 746 (E):        N       118.648       118.648       119.536        -0.888
RESID 746 (E):       HA         4.004         4.004         4.162        -0.158
RESID 746 (E):       CA        60.223        60.223        58.807         1.416
RESID 746 (E):       CB        28.854        28.854        29.298        -0.444
RESID 746 (E):        H         8.721         8.721         8.453         0.268
RESID 747 (Q):        N       120.463       120.463       120.610        -0.147
RESID 747 (Q):       HA         3.766         3.766         4.404        -0.638
RESID 747 (Q):       CA        58.306        58.306        58.584        -0.278
RESID 747 (Q):       CB        28.948        28.948        28.680         0.268
RESID 747 (Q):        H         7.838         7.838         8.296        -0.458
RESID 748 (M):        N       119.252       119.252       115.403         3.849
RESID 748 (M):       HA         4.200         4.200         4.465        -0.265
RESID 748 (M):       CA        58.096        58.096        59.175        -1.079
RESID 748 (M):       CB        30.900        30.900        32.356        -1.456
RESID 748 (M):        H         8.473         8.473         8.031         0.442
RESID 749 (N):        N       117.740       117.740       118.639        -0.899
RESID 749 (N):       HA         4.474         4.474         4.477        -0.003
RESID 749 (N):       CA        55.795        55.795        56.045        -0.250
RESID 749 (N):       CB        37.413        37.413        38.675        -1.262
RESID 749 (N):        H         8.334         8.334         7.664         0.670
RESID 750 (E):        N       122.848       122.848       119.741         3.107
RESID 750 (E):       HA         4.204         4.204         4.136         0.068
RESID 750 (E):       CA        59.341        59.341        58.536         0.805
RESID 750 (E):       CB        29.184        29.184        29.544        -0.360
RESID 750 (E):        H         7.838         7.838         8.427        -0.589
RESID 751 (F):        N       120.177       120.177       122.962        -2.785
RESID 751 (F):       HA         5.021         5.021         4.404         0.617
RESID 751 (F):       CA        58.353        58.353        59.338        -0.985
RESID 751 (F):       CB        37.797        37.797        39.434        -1.637
RESID 751 (F):        H         8.785         8.785         8.579         0.206
RESID 752 (R):        N       120.528       120.528       120.150         0.378
RESID 752 (R):       HA         4.160         4.160         3.940         0.220
RESID 752 (R):       CA        59.704        59.704        58.191         1.513
RESID 752 (R):       CB        29.968        29.968        28.500         1.468
RESID 752 (R):        H         9.016         9.016         8.128         0.888
RESID 753 (A):        N       121.112       121.112       122.537        -1.425
RESID 753 (A):       HA         4.245         4.245         4.382        -0.137
RESID 753 (A):       CA        55.331        55.331        54.728         0.603
RESID 753 (A):       CB        17.823        17.823        17.846        -0.023
RESID 753 (A):        H         8.100         8.100         7.787         0.313
RESID 754 (S):        N       115.589       115.589       115.165         0.424
RESID 754 (S):       HA         4.452         4.452         4.190         0.262
RESID 754 (S):       CA        62.675        62.675        60.518         2.157
RESID 754 (S):       CB        63.359        63.359        62.815         0.545
RESID 754 (S):        H         8.391         8.391         7.762         0.629
RESID 755 (F):        N       121.886       121.886       119.693         2.193
RESID 755 (F):       HA         3.642         3.642         3.882        -0.240
RESID 755 (F):       CA        61.964        61.964        58.800         3.164
RESID 755 (F):       CB        39.822        39.822        38.624         1.198
RESID 755 (F):        H         8.675         8.675         7.643         1.032
RESID 756 (N):        N       113.618       113.618       112.907         0.711
RESID 756 (N):       HA         4.427         4.427         4.189         0.238
RESID 756 (N):       CA        55.611        55.611        52.158         3.453
RESID 756 (N):       CB        37.838        37.838        39.041        -1.203
RESID 756 (N):        H         8.593         8.593         7.671         0.922
RESID 757 (H):        N       119.679       119.679       121.307        -1.628
RESID 757 (H):       HA         4.079         4.079         4.267        -0.188
RESID 757 (H):       CA        59.344        59.344        58.454         0.890
RESID 757 (H):       CB        29.889        29.889        30.156        -0.267
RESID 757 (H):        H         8.139         8.139         7.642         0.497
RESID 758 (F):        N       113.051       113.051       116.617        -3.566
RESID 758 (F):       HA         4.061         4.061         4.381        -0.320
RESID 758 (F):       CA        60.697        60.697        58.167         2.530
RESID 758 (F):       CB        38.735        38.735        40.417        -1.682
RESID 758 (F):        H         7.585         7.585         7.499         0.086
RESID 759 (D):        N       120.916       120.916       121.486        -0.570
RESID 759 (D):       HA         4.509         4.509         4.422         0.087
RESID 759 (D):       CA        52.171        52.171        54.897        -2.725
RESID 759 (D):       CB        38.009        38.009        40.557        -2.548
RESID 759 (D):        H         7.423         7.423         7.817        -0.394
RESID 760 (R):        N       124.819       124.819       126.276        -1.457
RESID 760 (R):       HA         3.768         3.768         4.069        -0.301
RESID 760 (R):       CA        58.275        58.275        58.631        -0.356
RESID 760 (R):       CB        30.249        30.249        30.661        -0.412
RESID 760 (R):        H         7.781         7.781         8.290        -0.509
RESID 761 (D):        N       113.673       113.673       112.809         0.864
RESID 761 (D):       HA         4.483         4.483         4.713        -0.230
RESID 761 (D):       CA        51.977        51.977        53.332        -1.355
RESID 761 (D):       CB        39.522        39.522        41.234        -1.712
RESID 761 (D):        H         7.821         7.821         8.112        -0.291
RESID 762 (H):        N       114.966       114.966       116.951        -1.985
RESID 762 (H):       HA         4.161         4.161         4.206        -0.045
RESID 762 (H):       CA        56.618        56.618        56.725        -0.107
RESID 762 (H):       CB        26.380        26.380        28.680        -2.300
RESID 762 (H):        H         7.744         7.744         7.973        -0.229
RESID 763 (S):        N       115.077       115.077       113.429         1.648
RESID 763 (S):       HA         4.336         4.336         4.367        -0.031
RESID 763 (S):       CA        59.860        59.860        59.140         0.720
RESID 763 (S):       CB        65.192        65.192        64.297         0.895
RESID 763 (S):        H         8.726         8.726         7.973         0.753
RESID 764 (G):        N       116.915       116.915       110.425         6.490
RESID 764 (G):       CA        45.449        45.449        45.696        -0.247
RESID 764 (G):        H        11.017        11.017         8.711         2.306
RESID 765 (T):        N       107.334       107.334       110.542        -3.208
RESID 765 (T):       HA         4.829         4.829         5.242        -0.413
RESID 765 (T):       CA        58.759        58.759        60.726        -1.967
RESID 765 (T):       CB        73.383        73.383        72.208         1.175
RESID 765 (T):        H         7.693         7.693         7.966        -0.273
RESID 766 (L):        N       124.664       124.664       125.001        -0.337
RESID 766 (L):       HA         4.900         4.900         4.798         0.102
RESID 766 (L):       CA        52.339        52.339        53.856        -1.517
RESID 766 (L):       CB        42.339        42.339        43.491        -1.152
RESID 766 (L):        H         9.209         9.209         8.708         0.501
RESID 767 (G):        N       112.024       112.024       111.717         0.307
RESID 767 (G):       CA        44.123        44.123        43.820         0.303
RESID 767 (G):        H         8.910         8.910         9.094        -0.184
RESID 768 (P):       HA         4.318         4.318         4.540        -0.222
RESID 768 (P):       CA        67.127        67.127        66.217         0.910
RESID 768 (P):       CB        32.029        32.029        32.002         0.027
RESID 769 (E):        N       115.246       115.246       116.861        -1.615
RESID 769 (E):       HA         3.971         3.971         4.095        -0.124
RESID 769 (E):       CA        59.621        59.621        58.526         1.095
RESID 769 (E):       CB        28.628        28.628        28.709        -0.081
RESID 769 (E):        H         8.622         8.622         9.060        -0.438
RESID 770 (E):        N       121.127       121.127       118.622         2.505
RESID 770 (E):       HA         4.272         4.272         4.210         0.062
RESID 770 (E):       CA        58.497        58.497        58.575        -0.078
RESID 770 (E):       CB        31.372        31.372        29.852         1.520
RESID 770 (E):        H         7.493         7.493         8.171        -0.678
RESID 771 (F):        N       117.688       117.688       122.606        -4.918
RESID 771 (F):       HA         4.355         4.355         4.288         0.067
RESID 771 (F):       CA        58.625        58.625        60.659        -2.034
RESID 771 (F):       CB        38.810        38.810        39.197        -0.387
RESID 771 (F):        H         9.110         9.110         8.894         0.216
RESID 772 (K):        N       119.789       119.789       118.341         1.448
RESID 772 (K):       HA         3.313         3.313         3.600        -0.287
RESID 772 (K):       CA        60.672        60.672        58.410         2.262
RESID 772 (K):       CB        31.979        31.979        30.756         1.222
RESID 772 (K):        H         8.594         8.594         8.180         0.414
RESID 773 (A):        N       118.461       118.461       120.928        -2.467
RESID 773 (A):       HA         3.881         3.881         3.966        -0.085
RESID 773 (A):       CA        55.013        55.013        53.942         1.071
RESID 773 (A):       CB        17.629        17.629        18.953        -1.324
RESID 773 (A):        H         7.231         7.231         7.363        -0.132
RESID 774 (C):        N       120.913       120.913       117.905         3.008
RESID 774 (C):       HA         2.435         2.435         2.930        -0.495
RESID 774 (C):       CA        61.174        61.174        62.402        -1.228
RESID 774 (C):       CB        26.215        26.215        27.667        -1.452
RESID 774 (C):        H         7.498         7.498         7.494         0.004
RESID 775 (L):        N       119.201       119.201       119.340        -0.139
RESID 775 (L):       HA         3.766         3.766         3.568         0.198
RESID 775 (L):       CA        57.932        57.932        56.825         1.107
RESID 775 (L):       CB        40.950        40.950        41.428        -0.478
RESID 775 (L):        H         8.372         8.372         7.684         0.688
RESID 776 (I):        N       121.051       121.051       117.027         4.024
RESID 776 (I):       HA         4.090         4.090         2.445         1.645
RESID 776 (I):       CA        65.244        65.244        63.877         1.367
RESID 776 (I):       CB        37.991        37.991        37.230         0.762
RESID 776 (I):        H         8.358         8.358         6.639         1.719
RESID 777 (S):        N       119.109       119.109       113.511         5.598
RESID 777 (S):       HA         4.291         4.291         4.213         0.078
RESID 777 (S):       CA        61.725        61.725        60.316         1.409
RESID 777 (S):       CB        62.995        62.995        63.082        -0.087
RESID 777 (S):        H         7.822         7.822         7.240         0.582
RESID 778 (L):        N       121.208       121.208       118.993         2.215
RESID 778 (L):       HA         4.506         4.506         4.547        -0.041
RESID 778 (L):       CA        54.999        54.999        54.172         0.827
RESID 778 (L):       CB        42.670        42.670        43.153        -0.483
RESID 778 (L):        H         7.671         7.671         7.275         0.396
RESID 779 (G):        N       106.232       106.232       106.195         0.037
RESID 779 (G):       CA        45.287        45.287        44.919         0.368
RESID 779 (G):        H         7.897         7.897         7.417         0.480
RESID 780 (Y):        N       120.772       120.772       119.410         1.362
RESID 780 (Y):       HA         4.142         4.142         4.661        -0.519
RESID 780 (Y):       CA        59.231        59.231        55.345         3.886
RESID 780 (Y):       CB        38.341        38.341        38.513        -0.172
RESID 780 (Y):        H         8.072         8.072         7.388         0.684
RESID 781 (D):        N       124.304       124.304       117.677         6.627
RESID 781 (D):       HA         4.665         4.665         4.713        -0.048
RESID 781 (D):       CA        53.148        53.148        53.470        -0.322
RESID 781 (D):       CB        39.804        39.804        40.482        -0.678
RESID 781 (D):        H         8.862         8.862         9.086        -0.224
RESID 782 (I):        N       122.271       122.271       112.867         9.404
RESID 782 (I):       HA         4.341         4.341         4.428        -0.087
RESID 782 (I):       CA        58.992        58.992        59.060        -0.068
RESID 782 (I):       CB        37.907        37.907        40.529        -2.622
RESID 782 (I):        H         7.344         7.344         6.978         0.366
RESID 783 (G):        N       112.322       112.322       105.844         6.478
RESID 783 (G):       CA        44.523        44.523        44.127         0.396
RESID 783 (G):        H         8.122         8.122         8.179        -0.057
RESID 784 (N):        N       118.727       118.727       118.704         0.023
RESID 784 (N):       HA         4.882         4.882         4.889        -0.007
RESID 784 (N):       CA        52.098        52.098        53.034        -0.936
RESID 784 (N):       CB        37.424        37.424        38.687        -1.263
RESID 784 (N):        H         8.452         8.452         8.541        -0.089
RESID 785 (D):        N       119.826       119.826       121.108        -1.282
RESID 785 (D):       HA         4.778         4.778         4.788        -0.010
RESID 785 (D):       CA        52.164        52.164        52.408        -0.244
RESID 785 (D):       CB        39.657        39.657        41.104        -1.447
RESID 785 (D):        H         8.145         8.145         7.617         0.528
RESID 786 (P):       HA         4.271         4.271         4.236         0.035
RESID 786 (P):       CA        66.265        66.265        65.251         1.014
RESID 786 (P):       CB        32.011        32.011        32.123        -0.112
RESID 787 (Q):        N       118.097       118.097       118.085         0.012
RESID 787 (Q):       HA         4.141         4.141         4.337        -0.196
RESID 787 (Q):       CA        59.115        59.115        57.780         1.335
RESID 787 (Q):       CB        27.732        27.732        28.645        -0.913
RESID 787 (Q):        H         8.409         8.409         8.421        -0.012
RESID 788 (G):        N       113.421       113.421       109.145         4.276
RESID 788 (G):       CA        47.317        47.317        46.855         0.462
RESID 788 (G):        H         8.644         8.644         8.465         0.179
RESID 789 (E):        N       121.223       121.223       121.396        -0.173
RESID 789 (E):       HA         4.148         4.148         4.272        -0.124
RESID 789 (E):       CA        59.344        59.344        59.294         0.050
RESID 789 (E):       CB        29.435        29.435        29.352         0.083
RESID 789 (E):        H         8.514         8.514         8.432         0.082
RESID 790 (A):        N       122.879       122.879       122.475         0.404
RESID 790 (A):       HA         4.247         4.247         4.205         0.042
RESID 790 (A):       CA        54.907        54.907        55.125        -0.218
RESID 790 (A):       CB        17.780        17.780        18.453        -0.673
RESID 790 (A):        H         8.024         8.024         7.612         0.412
RESID 791 (E):        N       122.622       122.622       119.132         3.490
RESID 791 (E):       HA         4.687         4.687         4.101         0.586
RESID 791 (E):       CA        58.134        58.134        58.620        -0.486
RESID 791 (E):       CB        29.061        29.061        29.462        -0.400
RESID 791 (E):        H         8.280         8.280         7.832         0.448
RESID 792 (F):        N       119.949       119.949       121.543        -1.594
RESID 792 (F):       HA         4.038         4.038         4.188        -0.150
RESID 792 (F):       CA        61.812        61.812        61.160         0.652
RESID 792 (F):       CB        38.598        38.598        38.383         0.215
RESID 792 (F):        H         8.722         8.722         8.800        -0.078
RESID 793 (A):        N       119.652       119.652       121.159        -1.507
RESID 793 (A):       HA         3.854         3.854         3.235         0.619
RESID 793 (A):       CA        54.902        54.902        54.347         0.555
RESID 793 (A):       CB        17.628        17.628        17.811        -0.183
RESID 793 (A):        H         8.163         8.163         7.651         0.512
RESID 794 (R):        N       121.092       121.092       119.275         1.817
RESID 794 (R):       HA         3.910         3.910         4.000        -0.090
RESID 794 (R):       CA        59.471        59.471        59.080         0.391
RESID 794 (R):       CB        30.092        30.092        30.234        -0.142
RESID 794 (R):        H         8.034         8.034         7.660         0.374
RESID 795 (I):        N       121.394       121.394       120.309         1.085
RESID 795 (I):       HA         3.388         3.388         3.731        -0.343
RESID 795 (I):       CA        65.848        65.848        65.301         0.547
RESID 795 (I):       CB        38.209        38.209        38.390        -0.181
RESID 795 (I):        H         8.049         8.049         8.141        -0.092
RESID 796 (M):        N       119.012       119.012       118.422         0.590
RESID 796 (M):       HA         4.155         4.155         3.971         0.184
RESID 796 (M):       CA        56.470        56.470        58.264        -1.794
RESID 796 (M):       CB        29.892        29.892        31.738        -1.846
RESID 796 (M):        H         8.589         8.589         8.227         0.362
RESID 797 (S):        N       114.132       114.132       112.437         1.695
RESID 797 (S):       HA         4.097         4.097         4.333        -0.236
RESID 797 (S):       CA        61.231        61.231        59.870         1.361
RESID 797 (S):       CB        62.895        62.895        63.445        -0.550
RESID 797 (S):        H         7.732         7.732         7.554         0.178
RESID 798 (I):        N       120.873       120.873       116.595         4.278
RESID 798 (I):       HA         3.818         3.818         4.240        -0.422
RESID 798 (I):       CA        63.875        63.875        62.818         1.057
RESID 798 (I):       CB        38.863        38.863        38.850         0.013
RESID 798 (I):        H         7.352         7.352         7.844        -0.492
RESID 799 (V):        N       110.552       110.552       114.133        -3.581
RESID 799 (V):       HA         4.243         4.243         4.088         0.155
RESID 799 (V):       CA        62.616        62.616        61.365         1.251
RESID 799 (V):       CB        32.416        32.416        30.564         1.852
RESID 799 (V):        H         7.648         7.648         7.847        -0.199
RESID 800 (D):        N       119.435       119.435       117.705         1.730
RESID 800 (D):       HA         5.225         5.225         4.952         0.273
RESID 800 (D):       CA        51.715        51.715        50.519         1.196
RESID 800 (D):       CB        41.086        41.086        41.388        -0.302
RESID 800 (D):        H         8.074         8.074         7.827         0.247
RESID 801 (P):       HA         4.331         4.331         4.348        -0.017
RESID 801 (P):       CA        64.819        64.819        64.307         0.512
RESID 801 (P):       CB        31.689        31.689        31.514         0.175
RESID 802 (N):        N       115.164       115.164       115.453        -0.289
RESID 802 (N):       HA         4.760         4.760         4.754         0.006
RESID 802 (N):       CA        52.998        52.998        52.815         0.183
RESID 802 (N):       CB        37.952        37.952        39.553        -1.601
RESID 802 (N):        H         8.949         8.949         7.892         1.057
RESID 803 (R):        N       117.446       117.446       116.152         1.294
RESID 803 (R):       HA         3.830         3.830         4.229        -0.399
RESID 803 (R):       CA        56.888        56.888        56.773         0.115
RESID 803 (R):       CB        26.354        26.354        27.107        -0.753
RESID 803 (R):        H         7.958         7.958         8.395        -0.437
RESID 804 (L):        N       123.307       123.307       116.773         6.534
RESID 804 (L):       HA         4.156         4.156         4.653        -0.497
RESID 804 (L):       CA        56.373        56.373        54.238         2.135
RESID 804 (L):       CB        42.930        42.930        41.392         1.538
RESID 804 (L):        H        10.591        10.591         7.651         2.940
RESID 805 (G):        N       110.516       110.516       108.456         2.060
RESID 805 (G):       CA        44.944        44.944        45.847        -0.903
RESID 805 (G):        H        11.001        11.001         8.446         2.555
RESID 806 (V):        N       109.840       109.840       114.042        -4.202
RESID 806 (V):       HA         4.571         4.571         4.262         0.309
RESID 806 (V):       CA        58.566        58.566        59.796        -1.230
RESID 806 (V):       CB        36.853        36.853        35.429         1.424
RESID 806 (V):        H         6.831         6.831         7.024        -0.193
RESID 807 (V):        N       122.184       122.184       122.054         0.130
RESID 807 (V):       HA         4.167         4.167         4.471        -0.304
RESID 807 (V):       CA        61.644        61.644        60.668         0.976
RESID 807 (V):       CB        32.383        32.383        30.979         1.404
RESID 807 (V):        H         9.007         9.007         8.891         0.116
RESID 808 (T):        N       117.391       117.391       117.404        -0.013
RESID 808 (T):       HA         4.593         4.593         4.590         0.003
RESID 808 (T):       CA        60.615        60.615        58.936         1.679
RESID 808 (T):       CB        70.695        70.695        71.449        -0.754
RESID 808 (T):        H         7.925         7.925         7.424         0.501
RESID 809 (F):        N       122.236       122.236       118.940         3.296
RESID 809 (F):       HA         3.640         3.640         4.477        -0.837
RESID 809 (F):       CA        61.749        61.749        61.284         0.465
RESID 809 (F):       CB        38.177        38.177        37.442         0.735
RESID 809 (F):        H         9.349         9.349         8.100         1.249
RESID 810 (Q):        N       116.788       116.788       117.178        -0.390
RESID 810 (Q):       HA         3.598         3.598         4.191        -0.593
RESID 810 (Q):       CA        58.582        58.582        57.859         0.723
RESID 810 (Q):       CB        28.199        28.199        28.503        -0.304
RESID 810 (Q):        H         8.572         8.572         7.901         0.671
RESID 811 (A):        N       121.208       121.208       121.972        -0.764
RESID 811 (A):       HA         4.119         4.119         4.192        -0.073
RESID 811 (A):       CA        54.911        54.911        53.811         1.100
RESID 811 (A):       CB        19.265        19.265        18.869         0.396
RESID 811 (A):        H         7.667         7.667         7.649         0.018
RESID 812 (F):        N       119.805       119.805       118.852         0.953
RESID 812 (F):       HA         3.980         3.980         4.360        -0.380
RESID 812 (F):       CA        61.740        61.740        62.104        -0.364
RESID 812 (F):       CB        39.670        39.670        38.635         1.035
RESID 812 (F):        H         8.400         8.400         8.393         0.007
RESID 813 (I):        N       118.098       118.098       118.773        -0.675
RESID 813 (I):       HA         3.146         3.146         4.007        -0.861
RESID 813 (I):       CA        63.299        63.299        62.504         0.795
RESID 813 (I):       CB        36.202        36.202        36.393        -0.191
RESID 813 (I):        H         8.364         8.364         7.907         0.457
RESID 814 (D):        N       123.528       123.528       120.572         2.956
RESID 814 (D):       HA         4.196         4.196         4.371        -0.175
RESID 814 (D):       CA        57.680        57.680        57.517         0.163
RESID 814 (D):       CB        40.236        40.236        40.768        -0.532
RESID 814 (D):        H         8.221         8.221         7.911         0.310
RESID 815 (F):        N       120.584       120.584       119.759         0.825
RESID 815 (F):       HA         4.129         4.129         4.456        -0.327
RESID 815 (F):       CA        61.084        61.084        60.627         0.457
RESID 815 (F):       CB        39.698        39.698        39.690         0.008
RESID 815 (F):        H         7.887         7.887         7.880         0.007
RESID 816 (M):        N       116.960       116.960       118.411        -1.451
RESID 816 (M):       HA         3.782         3.782         4.112        -0.330
RESID 816 (M):       CA        55.662        55.662        56.879        -1.217
RESID 816 (M):       CB        30.033        30.033        31.750        -1.717
RESID 816 (M):        H         8.372         8.372         8.045         0.327
RESID 817 (S):        N       114.277       114.277       112.940         1.337
RESID 817 (S):       HA         4.194         4.194         4.350        -0.156
RESID 817 (S):       CA        60.521        60.521        60.883        -0.362
RESID 817 (S):       CB        63.185        63.185        63.593        -0.408
RESID 817 (S):        H         8.074         8.074         8.377        -0.303
RESID 818 (R):        N       121.493       121.493       121.452         0.041
RESID 818 (R):       HA         4.124         4.124         4.021         0.103
RESID 818 (R):       CA        57.684        57.684        57.913        -0.229
RESID 818 (R):       CB        30.315        30.315        29.187         1.128
RESID 818 (R):        H         7.288         7.288         7.316        -0.028
RESID 819 (E):        N       119.737       119.737       118.469         1.268
RESID 819 (E):       HA         4.101         4.101         4.071         0.030
RESID 819 (E):       CA        57.066        57.066        58.864        -1.798
RESID 819 (E):       CB        30.491        30.491        29.187         1.304
RESID 819 (E):        H         8.045         8.045         7.679         0.366
RESID 820 (T):        N       112.128       112.128       109.422         2.706
RESID 820 (T):       HA         4.280         4.280         2.905         1.375
RESID 820 (T):       CA        62.055        62.055        62.493        -0.438
RESID 820 (T):       CB        69.828        69.828        68.207         1.621
RESID 820 (T):        H         7.760         7.760         7.271         0.489
RESID 821 (A):        N       126.098       126.098       123.446         2.652
RESID 821 (A):       HA         4.284         4.284         4.285        -0.001
RESID 821 (A):       CA        52.726        52.726        51.093         1.633
RESID 821 (A):       CB        19.304        19.304        19.925        -0.621
RESID 821 (A):        H         7.957         7.957         7.223         0.734
RESID 822 (D):        N       119.904       119.904       117.482         2.422
RESID 822 (D):       HA         4.613         4.613         4.877        -0.264
RESID 822 (D):       CA        54.335        54.335        53.645         0.690
RESID 822 (D):       CB        41.032        41.032        42.791        -1.759
RESID 822 (D):        H         8.352         8.352         8.325         0.027
RESID 823 (T):        N       114.142       114.142       114.047         0.095
RESID 823 (T):       HA         4.278         4.278         4.728        -0.450
RESID 823 (T):       CA        62.117        62.117        61.338         0.779
RESID 823 (T):       CB        69.584        69.584        72.382        -2.797
RESID 823 (T):        H         8.079         8.079         8.282        -0.203
RESID 824 (D):        N       123.261       123.261       120.949         2.312
RESID 824 (D):       HA         4.657         4.657         4.660        -0.003
RESID 824 (D):       CA        54.786        54.786        56.606        -1.820
RESID 824 (D):       CB        41.085        41.085        41.261        -0.176
RESID 824 (D):        H         8.431         8.431         8.863        -0.432
RESID 825 (T):        N       114.932       114.932       114.053         0.879
RESID 825 (T):       HA         4.161         4.161         4.146         0.015
RESID 825 (T):       CA        63.109        63.109        65.051        -1.942
RESID 825 (T):       CB        69.455        69.455        68.138         1.317
RESID 825 (T):        H         8.155         8.155         8.627        -0.472
RESID 826 (A):        N       124.961       124.961       125.165        -0.204
RESID 826 (A):       HA         4.160         4.160         4.018         0.142
RESID 826 (A):       CA        54.392        54.392        54.463        -0.071
RESID 826 (A):       CB        18.610        18.610        18.038         0.572
RESID 826 (A):        H         8.379         8.379         8.083         0.296
RESID 827 (D):        N       117.765       117.765       117.792        -0.027
RESID 827 (D):       HA         4.425         4.425         4.306         0.119
RESID 827 (D):       CA        56.051        56.051        57.169        -1.118
RESID 827 (D):       CB        40.559        40.559        41.032        -0.473
RESID 827 (D):        H         8.250         8.250         7.811         0.439
RESID 828 (Q):        N       120.523       120.523       117.862         2.661
RESID 828 (Q):       HA         4.091         4.091         4.072         0.019
RESID 828 (Q):       CA        57.814        57.814        58.187        -0.373
RESID 828 (Q):       CB        28.549        28.549        28.984        -0.435
RESID 828 (Q):        H         8.076         8.076         7.792         0.284
RESID 829 (V):        N       120.970       120.970       118.699         2.271
RESID 829 (V):       HA         3.525         3.525         3.850        -0.325
RESID 829 (V):       CA        65.194        65.194        64.232         0.962
RESID 829 (V):       CB        31.541        31.541        32.589        -1.048
RESID 829 (V):        H         8.051         8.051         7.294         0.757
RESID 830 (M):        N       119.572       119.572       118.477         1.095
RESID 830 (M):       HA         4.006         4.006         3.300         0.706
RESID 830 (M):       CA        57.977        57.977        56.855         1.122
RESID 830 (M):       CB        31.995        31.995        30.956         1.039
RESID 830 (M):        H         8.110         8.110         8.319        -0.209
RESID 831 (A):        N       121.059       121.059       122.798        -1.739
RESID 831 (A):       HA         4.045         4.045         3.950         0.095
RESID 831 (A):       CA        54.501        54.501        54.378         0.123
RESID 831 (A):       CB        18.067        18.067        17.753         0.314
RESID 831 (A):        H         7.836         7.836         7.844        -0.008
RESID 832 (S):        N       114.256       114.256       115.702        -1.446
RESID 832 (S):       HA         4.141         4.141         4.094         0.047
RESID 832 (S):       CA        60.845        60.845        61.485        -0.640
RESID 832 (S):       CB        62.613        62.613        62.785        -0.172
RESID 832 (S):        H         7.714         7.714         7.631         0.083
RESID 833 (F):        N       121.847       121.847       120.122         1.725
RESID 833 (F):       HA         3.823         3.823         4.116        -0.293
RESID 833 (F):       CA        58.627        58.627        58.973        -0.346
RESID 833 (F):       CB        38.127        38.127        37.967         0.160
RESID 833 (F):        H         7.740         7.740         7.619         0.121
RESID 834 (K):        N       118.759       118.759       119.946        -1.187
RESID 834 (K):       HA         3.589         3.589         3.779        -0.190
RESID 834 (K):       CA        59.384        59.384        58.324         1.060
RESID 834 (K):       CB        32.143        32.143        31.857         0.286
RESID 834 (K):        H         7.843         7.843         7.720         0.123
RESID 835 (I):        N       118.537       118.537       119.529        -0.992
RESID 835 (I):       HA         3.736         3.736         3.801        -0.065
RESID 835 (I):       CA        63.714        63.714        64.295        -0.581
RESID 835 (I):       CB        37.825        37.825        38.173        -0.348
RESID 835 (I):        H         7.315         7.315         7.378        -0.063
RESID 836 (L):        N       121.201       121.201       119.981         1.220
RESID 836 (L):       HA         3.955         3.955         3.818         0.137
RESID 836 (L):       CA        57.074        57.074        57.297        -0.223
RESID 836 (L):       CB        42.415        42.415        42.275         0.140
RESID 836 (L):        H         7.625         7.625         7.950        -0.325
RESID 837 (A):        N       119.184       119.184       118.108         1.076
RESID 837 (A):       HA         3.895         3.895         3.922        -0.027
RESID 837 (A):       CA        53.301        53.301        54.054        -0.753
RESID 837 (A):       CB        19.338        19.338        18.951         0.387
RESID 837 (A):        H         8.099         8.099         7.783         0.316
RESID 838 (G):        N       107.030       107.030       106.759         0.271
RESID 838 (G):       CA        46.918        46.918        46.654         0.264
RESID 838 (G):        H         7.676         7.676         8.124        -0.448
RESID 839 (D):        N       122.291       122.291       124.243        -1.952
RESID 839 (D):       HA         4.477         4.477         4.874        -0.397
RESID 839 (D):       CA        54.511        54.511        53.536         0.975
RESID 839 (D):       CB        40.181        40.181        42.415        -2.234
RESID 839 (D):        H         8.704         8.704         8.087         0.617
RESID 840 (K):        N       117.582       117.582       120.427        -2.845
RESID 840 (K):       HA         4.301         4.301         4.324        -0.023
RESID 840 (K):       CA        55.780        55.780        56.102        -0.322
RESID 840 (K):       CB        33.710        33.710        32.776         0.934
RESID 840 (K):        H         7.583         7.583         7.510         0.073
RESID 841 (N):        N       116.678       116.678       116.658         0.020
RESID 841 (N):       HA         4.611         4.611         4.580         0.031
RESID 841 (N):       CA        53.466        53.466        54.141        -0.675
RESID 841 (N):       CB        39.155        39.155        39.075         0.080
RESID 841 (N):        H         8.693         8.693         8.986        -0.293
RESID 842 (Y):        N       112.236       112.236       113.823        -1.587
RESID 842 (Y):       HA         4.986         4.986         4.833         0.153
RESID 842 (Y):       CA        54.918        54.918        56.376        -1.458
RESID 842 (Y):       CB        40.595        40.595        40.331         0.264
RESID 842 (Y):        H         6.637         6.637         7.264        -0.627
RESID 843 (I):        N       115.475       115.475       121.478        -6.003
RESID 843 (I):       HA         4.792         4.792         4.787         0.005
RESID 843 (I):       CA        58.957        58.957        58.253         0.704
RESID 843 (I):       CB        43.009        43.009        43.014        -0.005
RESID 843 (I):        H         8.630         8.630         9.286        -0.656
RESID 844 (T):        N       117.169       117.169       118.153        -0.984
RESID 844 (T):       HA         5.370         5.370         5.243         0.127
RESID 844 (T):       CA        60.177        60.177        60.163         0.014
RESID 844 (T):       CB        71.088        71.088        70.673         0.415
RESID 844 (T):        H         9.330         9.330         9.215         0.115
RESID 845 (M):        N       119.860       119.860       120.384        -0.524
RESID 845 (M):       HA         3.824         3.824         4.015        -0.191
RESID 845 (M):       CA        60.321        60.321        60.587        -0.266
RESID 845 (M):       CB        33.030        33.030        32.145         0.885
RESID 845 (M):        H         8.556         8.556         8.651        -0.095
RESID 846 (D):        N       116.363       116.363       118.358        -1.995
RESID 846 (D):       HA         4.280         4.280         4.396        -0.116
RESID 846 (D):       CA        57.404        57.404        56.776         0.628
RESID 846 (D):       CB        40.584        40.584        40.712        -0.127
RESID 846 (D):        H         8.377         8.377         8.659        -0.282
RESID 847 (E):        N       120.577       120.577       118.035         2.542
RESID 847 (E):       HA         3.854         3.854         4.137        -0.283
RESID 847 (E):       CA        59.657        59.657        58.730         0.927
RESID 847 (E):       CB        29.660        29.660        30.061        -0.401
RESID 847 (E):        H         7.855         7.855         7.653         0.202
RESID 848 (L):        N       118.714       118.714       119.748        -1.034
RESID 848 (L):       HA         3.822         3.822         4.075        -0.253
RESID 848 (L):       CA        58.725        58.725        57.784         0.941
RESID 848 (L):       CB        42.457        42.457        41.933         0.524
RESID 848 (L):        H         7.849         7.849         7.632         0.217
RESID 849 (R):        N       113.972       113.972       115.494        -1.522
RESID 849 (R):       HA         3.924         3.924         4.389        -0.465
RESID 849 (R):       CA        58.595        58.595        57.630         0.965
RESID 849 (R):       CB        30.100        30.100        29.745         0.354
RESID 849 (R):        H         8.053         8.053         8.029         0.024
RESID 850 (R):        N       118.178       118.178       119.015        -0.837
RESID 850 (R):       HA         4.193         4.193         4.337        -0.144
RESID 850 (R):       CA        58.245        58.245        58.164         0.081
RESID 850 (R):       CB        31.120        31.120        30.831         0.289
RESID 850 (R):        H         7.743         7.743         7.584         0.159
RESID 851 (E):        N       115.518       115.518       119.030        -3.512
RESID 851 (E):       HA         4.350         4.350         4.328         0.022
RESID 851 (E):       CA        56.886        56.886        57.650        -0.764
RESID 851 (E):       CB        31.590        31.590        30.737         0.853
RESID 851 (E):        H         7.596         7.596         7.738        -0.142
RESID 852 (L):        N       119.148       119.148       122.644        -3.496
RESID 852 (L):       HA         4.894         4.894         4.940        -0.046
RESID 852 (L):       CA        52.174        52.174        50.929         1.245
RESID 852 (L):       CB        42.469        42.469        42.007         0.462
RESID 852 (L):        H         7.890         7.890         8.017        -0.127
RESID 853 (P):       HA         4.347         4.347         4.548        -0.201
RESID 853 (P):       CA        65.119        65.119        63.783         1.336
RESID 853 (P):       CB        31.631        31.631        30.661         0.970
RESID 854 (P):       HA         4.270         4.270         4.537        -0.267
RESID 854 (P):       CA        66.336        66.336        62.283         4.053
RESID 854 (P):       CB        32.256        32.256        32.831        -0.575
RESID 855 (D):        N       114.865       114.865       118.182        -3.317
RESID 855 (D):       HA         4.349         4.349         4.325         0.024
RESID 855 (D):       CA        56.913        56.913        57.492        -0.579
RESID 855 (D):       CB        39.244        39.244        39.588        -0.344
RESID 855 (D):        H         8.801         8.801         8.884        -0.083
RESID 856 (Q):        N       121.465       121.465       118.739         2.726
RESID 856 (Q):       HA         4.199         4.199         4.268        -0.069
RESID 856 (Q):       CA        58.317        58.317        58.835        -0.518
RESID 856 (Q):       CB        29.247        29.247        28.111         1.136
RESID 856 (Q):        H         7.472         7.472         8.116        -0.644
RESID 857 (A):        N       122.805       122.805       122.122         0.683
RESID 857 (A):       HA         3.799         3.799         3.949        -0.150
RESID 857 (A):       CA        56.303        56.303        56.051         0.252
RESID 857 (A):       CB        17.944        17.944        18.350        -0.406
RESID 857 (A):        H         8.882         8.882         8.246         0.636
RESID 858 (E):        N       114.094       114.094       118.861        -4.767
RESID 858 (E):       HA         4.024         4.024         4.033        -0.009
RESID 858 (E):       CA        58.682        58.682        58.691        -0.009
RESID 858 (E):       CB        28.639        28.639        29.039        -0.400
RESID 858 (E):        H         8.155         8.155         7.746         0.409
RESID 859 (Y):        N       120.665       120.665       122.258        -1.593
RESID 859 (Y):       HA         4.084         4.084         4.165        -0.081
RESID 859 (Y):       CA        61.006        61.006        61.101        -0.095
RESID 859 (Y):       CB        38.687        38.687        38.118         0.569
RESID 859 (Y):        H         7.708         7.708         8.425        -0.717
RESID 860 (C):        N       115.812       115.812       116.983        -1.171
RESID 860 (C):       HA         4.158         4.158         3.332         0.826
RESID 860 (C):       CA        64.254        64.254        64.248         0.006
RESID 860 (C):       CB        27.304        27.304        26.982         0.322
RESID 860 (C):        H         8.113         8.113         7.687         0.426
RESID 861 (I):        N       120.078       120.078       120.108        -0.030
RESID 861 (I):       HA         3.339         3.339         3.598        -0.259
RESID 861 (I):       CA        65.643        65.643        65.348         0.295
RESID 861 (I):       CB        38.714        38.714        37.661         1.053
RESID 861 (I):        H         8.453         8.453         7.904         0.549
RESID 862 (A):        N       116.691       116.691       122.419        -5.728
RESID 862 (A):       HA         4.209         4.209         4.069         0.140
RESID 862 (A):       CA        53.222        53.222        55.027        -1.805
RESID 862 (A):       CB        19.002        19.002        18.806         0.196
RESID 862 (A):        H         7.307         7.307         8.206        -0.899
RESID 863 (R):        N       117.226       117.226       115.897         1.329
RESID 863 (R):       HA         4.274         4.274         4.385        -0.111
RESID 863 (R):       CA        56.051        56.051        56.787        -0.736
RESID 863 (R):       CB        31.389        31.389        30.667         0.722
RESID 863 (R):        H         7.358         7.358         7.531        -0.173
RESID 864 (M):        N       117.583       117.583       118.329        -0.746
RESID 864 (M):       HA         4.561         4.561         4.457         0.104
RESID 864 (M):       CA        54.927        54.927        55.656        -0.729
RESID 864 (M):       CB        37.418        37.418        34.359         3.059
RESID 864 (M):        H         7.153         7.153         7.410        -0.257
RESID 865 (A):        N       124.643       124.643       124.864        -0.221
RESID 865 (A):       HA         3.866         3.866         4.736        -0.870
RESID 865 (A):       CA        49.194        49.194        49.271        -0.077
RESID 865 (A):       CB        18.647        18.647        18.448         0.199
RESID 865 (A):        H         8.557         8.557         8.139         0.418
RESID 866 (P):       HA         4.496         4.496         4.503        -0.007
RESID 866 (P):       CA        62.724        62.724        62.825        -0.101
RESID 866 (P):       CB        31.980        31.980        30.425         1.555
RESID 867 (Y):        N       122.461       122.461       125.887        -3.426
RESID 867 (Y):       HA         4.728         4.728         4.594         0.134
RESID 867 (Y):       CA        57.096        57.096        56.161         0.935
RESID 867 (Y):       CB        39.175        39.175        37.484         1.691
RESID 867 (Y):        H         8.128         8.128         8.107         0.021
RESID 868 (T):       HA         4.351         4.351         4.653        -0.302
RESID 868 (T):       CA        60.271        60.271        59.756         0.515
RESID 868 (T):       CB        68.737        68.737        71.884        -3.147
RESID 869 (G):       CA        44.914        44.914        45.426        -0.512
RESID 870 (P):       HA         4.329         4.329         4.455        -0.126
RESID 870 (P):       CA        64.697        64.697        64.021         0.676
RESID 870 (P):       CB        31.579        31.579        32.220        -0.641
RESID 871 (D):        N       116.207       116.207       117.950        -1.743
RESID 871 (D):       HA         4.604         4.604         4.696        -0.092
RESID 871 (D):       CA        52.749        52.749        54.266        -1.517
RESID 871 (D):       CB        38.929        38.929        41.009        -2.080
RESID 871 (D):        H         9.267         9.267         8.603         0.664
RESID 872 (S):        N       112.349       112.349       114.872        -2.523
RESID 872 (S):       HA         3.497         3.497         4.593        -1.096
RESID 872 (S):       CA        59.065        59.065        57.051         2.014
RESID 872 (S):       CB        63.125        63.125        64.386        -1.261
RESID 872 (S):        H         7.487         7.487         7.436         0.051
RESID 873 (V):        N       113.567       113.567       114.108        -0.541
RESID 873 (V):       HA         4.729         4.729         4.599         0.130
RESID 873 (V):       CA        58.044        58.044        57.982         0.062
RESID 873 (V):       CB        32.911        32.911        31.968         0.943
RESID 873 (V):        H         6.411         6.411         8.291        -1.880
RESID 874 (P):       HA         4.296         4.296         4.456        -0.160
RESID 874 (P):       CA        64.335        64.335        63.988         0.347
RESID 874 (P):       CB        31.515        31.515        31.452         0.063
RESID 875 (G):        N       112.118       112.118       107.310         4.808
RESID 875 (G):       CA        45.557        45.557        44.361         1.196
RESID 875 (G):        H         8.800         8.800         7.887         0.913
RESID 876 (A):        N       120.262       120.262       124.071        -3.809
RESID 876 (A):       HA         4.100         4.100         5.561        -1.461
RESID 876 (A):       CA        53.073        53.073        50.310         2.763
RESID 876 (A):       CB        20.508        20.508        21.666        -1.158
RESID 876 (A):        H         7.762         7.762         7.649         0.113
RESID 877 (L):        N       125.695       125.695       121.099         4.596
RESID 877 (L):       HA         4.776         4.776         5.128        -0.352
RESID 877 (L):       CA        54.269        54.269        53.719         0.550
RESID 877 (L):       CB        44.799        44.799        47.002        -2.203
RESID 877 (L):        H         9.595         9.595         9.346         0.249
RESID 878 (D):        N       119.823       119.823       121.481        -1.658
RESID 878 (D):       HA         4.879         4.879         4.619         0.260
RESID 878 (D):       CA        51.997        51.997        52.543        -0.546
RESID 878 (D):       CB        40.781        40.781        41.655        -0.874
RESID 878 (D):        H         9.031         9.031         7.813         1.218
RESID 879 (Y):        N       126.556       126.556       124.409         2.147
RESID 879 (Y):       HA         4.591         4.591         4.162         0.429
RESID 879 (Y):       CA        59.396        59.396        60.004        -0.608
RESID 879 (Y):       CB        37.321        37.321        37.704        -0.383
RESID 879 (Y):        H         7.456         7.456         8.076        -0.620
RESID 880 (M):        N       119.958       119.958       113.402         6.556
RESID 880 (M):       HA         4.605         4.605         4.792        -0.187
RESID 880 (M):       CA        56.044        56.044        57.037        -0.993
RESID 880 (M):       CB        30.101        30.101        33.322        -3.221
RESID 880 (M):        H         7.627         7.627         7.373         0.254
RESID 881 (S):        N       114.328       114.328       115.854        -1.526
RESID 881 (S):       HA         4.471         4.471         4.670        -0.199
RESID 881 (S):       CA        58.917        58.917        57.268         1.649
RESID 881 (S):       CB        64.447        64.447        63.605         0.842
RESID 881 (S):        H         7.726         7.726         8.130        -0.404
RESID 882 (F):        N       122.735       122.735       120.140         2.595
RESID 882 (F):       HA         4.722         4.722         4.365         0.357
RESID 882 (F):       CA        59.231        59.231        57.223         2.008
RESID 882 (F):       CB        40.285        40.285        39.053         1.232
RESID 882 (F):        H         7.385         7.385         7.435        -0.050
RESID 883 (S):        N       120.156       120.156       117.837         2.319
RESID 883 (S):       HA         4.299         4.299         4.355        -0.056
RESID 883 (S):       CA        57.280        57.280        58.846        -1.566
RESID 883 (S):       CB        64.601        64.601        63.734         0.867
RESID 883 (S):        H         7.472         7.472         8.127        -0.655
RESID 884 (T):        N       110.683       110.683       118.957        -8.274
RESID 884 (T):       HA         3.966         3.966         3.891         0.075
RESID 884 (T):       CA        63.465        63.465        64.281        -0.816
RESID 884 (T):       CB        68.899        68.899        68.782         0.117
RESID 884 (T):        H         7.996         7.996         8.288        -0.292
RESID 885 (A):        N       125.456       125.456       122.287         3.169
RESID 885 (A):       HA         4.236         4.236         4.485        -0.249
RESID 885 (A):       CA        52.030        52.030        51.234         0.796
RESID 885 (A):       CB        19.225        19.225        18.831         0.395
RESID 885 (A):        H         7.905         7.905         8.270        -0.365
RESID 886 (L):        N       120.638       120.638       118.180         2.458
RESID 886 (L):       HA         4.002         4.002         3.811         0.191
RESID 886 (L):       CA        55.462        55.462        56.657        -1.194
RESID 886 (L):       CB        42.265        42.265        40.238         2.027
RESID 886 (L):        H         8.079         8.079         7.386         0.693
RESID 887 (Y):        N       121.526       121.526       116.200         5.326
RESID 887 (Y):       HA         4.356         4.356         4.710        -0.354
RESID 887 (Y):       CA        58.750        58.750        57.838         0.912
RESID 887 (Y):       CB        38.569        38.569        37.126         1.443
RESID 887 (Y):        H         8.267         8.267         7.699         0.568
RESID 888 (G):        N       112.379       112.379       107.379         5.000
RESID 888 (G):       CA        45.090        45.090        44.804         0.285
RESID 888 (G):        H         8.087         8.087         7.762         0.325
RESID 889 (E):        N       120.255       120.255       120.283        -0.028
RESID 889 (E):       HA         4.256         4.256         4.229         0.027
RESID 889 (E):       CA        56.445        56.445        57.187        -0.742
RESID 889 (E):       CB        30.393        30.393        29.924         0.469
RESID 889 (E):        H         7.994         7.994         7.749         0.245
RESID 890 (S):        N       116.375       116.375       118.565        -2.190
RESID 890 (S):       HA         4.415         4.415         4.919        -0.504
RESID 890 (S):       CA        58.204        58.204        57.752         0.452
RESID 890 (S):       CB        63.913        63.913        64.388        -0.475
RESID 890 (S):        H         8.329         8.329         8.406        -0.077
RESID 891 (D):        N       123.017       123.017       119.613         3.404
RESID 891 (D):       HA         4.610         4.610         4.964        -0.354
RESID 891 (D):       CA        54.371        54.371        53.536         0.835
RESID 891 (D):       CB        41.013        41.013        41.968        -0.955
RESID 891 (D):        H         8.394         8.394         8.280         0.114

                         N          HA           C          CA          CB           H
RESID 743 (I):       0.806      -0.009       -----       0.619      -1.268       0.271
RESID 744 (S):       0.830      -0.331       -----       0.144      -0.608       0.459
RESID 745 (Q):       0.469      -0.212       -----      -0.197      -0.149      -0.076
RESID 746 (E):      -0.888      -0.158       -----       1.416      -0.444       0.268
RESID 747 (Q):      -0.147      -0.638       -----      -0.278       0.268      -0.458
RESID 748 (M):       3.849      -0.265       -----      -1.079      -1.456       0.442
RESID 749 (N):      -0.899      -0.003       -----      -0.250      -1.262       0.670
RESID 750 (E):       3.107       0.068       -----       0.805      -0.360      -0.589
RESID 751 (F):      -2.785       0.617       -----      -0.985      -1.637       0.206
RESID 752 (R):       0.378       0.220       -----       1.513       1.468       0.888
RESID 753 (A):      -1.425      -0.137       -----       0.603      -0.023       0.313
RESID 754 (S):       0.424       0.262       -----       2.157       0.545       0.629
RESID 755 (F):       2.193      -0.240       -----       3.164       1.198       1.032
RESID 756 (N):       0.711       0.238       -----       3.453      -1.203       0.922
RESID 757 (H):      -1.628      -0.188       -----       0.890      -0.267       0.497
RESID 758 (F):      -3.566      -0.320       -----       2.530      -1.682       0.086
RESID 759 (D):      -0.570       0.087       -----      -2.725      -2.548      -0.394
RESID 760 (R):      -1.457      -0.301       -----      -0.356      -0.412      -0.509
RESID 761 (D):       0.864      -0.230       -----      -1.355      -1.712      -0.291
RESID 762 (H):      -1.985      -0.045       -----      -0.107      -2.300      -0.229
RESID 763 (S):       1.648      -0.031       -----       0.720       0.895       0.753
RESID 764 (G):       6.490       -----       -----      -0.247       -----       2.306
RESID 765 (T):      -3.208      -0.413       -----      -1.967       1.175      -0.273
RESID 766 (L):      -0.337       0.102       -----      -1.517      -1.152       0.501
RESID 767 (G):       0.307       -----       -----       0.303       -----      -0.184
RESID 768 (P):       -----      -0.222       -----       0.910       0.027       -----
RESID 769 (E):      -1.615      -0.124       -----       1.095      -0.081      -0.438
RESID 770 (E):       2.505       0.062       -----      -0.078       1.520      -0.678
RESID 771 (F):      -4.918       0.067       -----      -2.034      -0.387       0.216
RESID 772 (K):       1.448      -0.287       -----       2.262       1.222       0.414
RESID 773 (A):      -2.467      -0.085       -----       1.071      -1.324      -0.132
RESID 774 (C):       3.008      -0.495       -----      -1.228      -1.452       0.004
RESID 775 (L):      -0.139       0.198       -----       1.107      -0.478       0.688
RESID 776 (I):       4.024       1.645       -----       1.367       0.762       1.719
RESID 777 (S):       5.598       0.078       -----       1.409      -0.087       0.582
RESID 778 (L):       2.215      -0.041       -----       0.827      -0.483       0.396
RESID 779 (G):       0.037       -----       -----       0.368       -----       0.480
RESID 780 (Y):       1.362      -0.519       -----       3.886      -0.172       0.684
RESID 781 (D):       6.627      -0.048       -----      -0.322      -0.678      -0.224
RESID 782 (I):       9.404      -0.087       -----      -0.068      -2.622       0.366
RESID 783 (G):       6.478       -----       -----       0.396       -----      -0.057
RESID 784 (N):       0.023      -0.007       -----      -0.936      -1.263      -0.089
RESID 785 (D):      -1.282      -0.010       -----      -0.244      -1.447       0.528
RESID 786 (P):       -----       0.035       -----       1.014      -0.112       -----
RESID 787 (Q):       0.012      -0.196       -----       1.335      -0.913      -0.012
RESID 788 (G):       4.276       -----       -----       0.462       -----       0.179
RESID 789 (E):      -0.173      -0.124       -----       0.050       0.083       0.082
RESID 790 (A):       0.404       0.042       -----      -0.218      -0.673       0.412
RESID 791 (E):       3.490       0.586       -----      -0.486      -0.400       0.448
RESID 792 (F):      -1.594      -0.150       -----       0.652       0.215      -0.078
RESID 793 (A):      -1.507       0.619       -----       0.555      -0.183       0.512
RESID 794 (R):       1.817      -0.090       -----       0.391      -0.142       0.374
RESID 795 (I):       1.085      -0.343       -----       0.547      -0.181      -0.092
RESID 796 (M):       0.590       0.184       -----      -1.794      -1.846       0.362
RESID 797 (S):       1.695      -0.236       -----       1.361      -0.550       0.178
RESID 798 (I):       4.278      -0.422       -----       1.057       0.013      -0.492
RESID 799 (V):      -3.581       0.155       -----       1.251       1.852      -0.199
RESID 800 (D):       1.730       0.273       -----       1.196      -0.302       0.247
RESID 801 (P):       -----      -0.017       -----       0.512       0.175       -----
RESID 802 (N):      -0.289       0.006       -----       0.183      -1.601       1.057
RESID 803 (R):       1.294      -0.399       -----       0.115      -0.753      -0.437
RESID 804 (L):       6.534      -0.497       -----       2.135       1.538       2.940
RESID 805 (G):       2.060       -----       -----      -0.903       -----       2.555
RESID 806 (V):      -4.202       0.309       -----      -1.230       1.424      -0.193
RESID 807 (V):       0.130      -0.304       -----       0.976       1.404       0.116
RESID 808 (T):      -0.013       0.003       -----       1.679      -0.754       0.501
RESID 809 (F):       3.296      -0.837       -----       0.465       0.735       1.249
RESID 810 (Q):      -0.390      -0.593       -----       0.723      -0.304       0.671
RESID 811 (A):      -0.764      -0.073       -----       1.100       0.396       0.018
RESID 812 (F):       0.953      -0.380       -----      -0.364       1.035       0.007
RESID 813 (I):      -0.675      -0.861       -----       0.795      -0.191       0.457
RESID 814 (D):       2.956      -0.175       -----       0.163      -0.532       0.310
RESID 815 (F):       0.825      -0.327       -----       0.457       0.008       0.007
RESID 816 (M):      -1.451      -0.330       -----      -1.217      -1.717       0.327
RESID 817 (S):       1.337      -0.156       -----      -0.362      -0.408      -0.303
RESID 818 (R):       0.041       0.103       -----      -0.229       1.128      -0.028
RESID 819 (E):       1.268       0.030       -----      -1.798       1.304       0.366
RESID 820 (T):       2.706       1.375       -----      -0.438       1.621       0.489
RESID 821 (A):       2.652      -0.001       -----       1.633      -0.621       0.734
RESID 822 (D):       2.422      -0.264       -----       0.690      -1.759       0.027
RESID 823 (T):       0.095      -0.450       -----       0.779      -2.797      -0.203
RESID 824 (D):       2.312      -0.003       -----      -1.820      -0.176      -0.432
RESID 825 (T):       0.879       0.015       -----      -1.942       1.317      -0.472
RESID 826 (A):      -0.204       0.142       -----      -0.071       0.572       0.296
RESID 827 (D):      -0.027       0.119       -----      -1.118      -0.473       0.439
RESID 828 (Q):       2.661       0.019       -----      -0.373      -0.435       0.284
RESID 829 (V):       2.271      -0.325       -----       0.962      -1.048       0.757
RESID 830 (M):       1.095       0.706       -----       1.122       1.039      -0.209
RESID 831 (A):      -1.739       0.095       -----       0.123       0.314      -0.008
RESID 832 (S):      -1.446       0.047       -----      -0.640      -0.172       0.083
RESID 833 (F):       1.725      -0.293       -----      -0.346       0.160       0.121
RESID 834 (K):      -1.187      -0.190       -----       1.060       0.286       0.123
RESID 835 (I):      -0.992      -0.065       -----      -0.581      -0.348      -0.063
RESID 836 (L):       1.220       0.137       -----      -0.223       0.140      -0.325
RESID 837 (A):       1.076      -0.027       -----      -0.753       0.387       0.316
RESID 838 (G):       0.271       -----       -----       0.264       -----      -0.448
RESID 839 (D):      -1.952      -0.397       -----       0.975      -2.234       0.617
RESID 840 (K):      -2.845      -0.023       -----      -0.322       0.934       0.073
RESID 841 (N):       0.020       0.031       -----      -0.675       0.080      -0.293
RESID 842 (Y):      -1.587       0.153       -----      -1.458       0.264      -0.627
RESID 843 (I):      -6.003       0.005       -----       0.704      -0.005      -0.656
RESID 844 (T):      -0.984       0.127       -----       0.014       0.415       0.115
RESID 845 (M):      -0.524      -0.191       -----      -0.266       0.885      -0.095
RESID 846 (D):      -1.995      -0.116       -----       0.628      -0.127      -0.282
RESID 847 (E):       2.542      -0.283       -----       0.927      -0.401       0.202
RESID 848 (L):      -1.034      -0.253       -----       0.941       0.524       0.217
RESID 849 (R):      -1.522      -0.465       -----       0.965       0.354       0.024
RESID 850 (R):      -0.837      -0.144       -----       0.081       0.289       0.159
RESID 851 (E):      -3.512       0.022       -----      -0.764       0.853      -0.142
RESID 852 (L):      -3.496      -0.046       -----       1.245       0.462      -0.127
RESID 853 (P):       -----      -0.201       -----       1.336       0.970       -----
RESID 854 (P):       -----      -0.267       -----       4.053      -0.575       -----
RESID 855 (D):      -3.317       0.024       -----      -0.579      -0.344      -0.083
RESID 856 (Q):       2.726      -0.069       -----      -0.518       1.136      -0.644
RESID 857 (A):       0.683      -0.150       -----       0.252      -0.406       0.636
RESID 858 (E):      -4.767      -0.009       -----      -0.009      -0.400       0.409
RESID 859 (Y):      -1.593      -0.081       -----      -0.095       0.569      -0.717
RESID 860 (C):      -1.171       0.826       -----       0.006       0.322       0.426
RESID 861 (I):      -0.030      -0.259       -----       0.295       1.053       0.549
RESID 862 (A):      -5.728       0.140       -----      -1.805       0.196      -0.899
RESID 863 (R):       1.329      -0.111       -----      -0.736       0.722      -0.173
RESID 864 (M):      -0.746       0.104       -----      -0.729       3.059      -0.257
RESID 865 (A):      -0.221      -0.870       -----      -0.077       0.199       0.418
RESID 866 (P):       -----      -0.007       -----      -0.101       1.555       -----
RESID 867 (Y):      -3.426       0.134       -----       0.935       1.691       0.021
RESID 868 (T):       -----      -0.302       -----       0.515      -3.147       -----
RESID 869 (G):       -----       -----       -----      -0.512       -----       -----
RESID 870 (P):       -----      -0.126       -----       0.676      -0.641       -----
RESID 871 (D):      -1.743      -0.092       -----      -1.517      -2.080       0.664
RESID 872 (S):      -2.523      -1.096       -----       2.014      -1.261       0.051
RESID 873 (V):      -0.541       0.130       -----       0.062       0.943      -1.880
RESID 874 (P):       -----      -0.160       -----       0.347       0.063       -----
RESID 875 (G):       4.808       -----       -----       1.196       -----       0.913
RESID 876 (A):      -3.809      -1.461       -----       2.763      -1.158       0.113
RESID 877 (L):       4.596      -0.352       -----       0.550      -2.203       0.249
RESID 878 (D):      -1.658       0.260       -----      -0.546      -0.874       1.218
RESID 879 (Y):       2.147       0.429       -----      -0.608      -0.383      -0.620
RESID 880 (M):       6.556      -0.187       -----      -0.993      -3.221       0.254
RESID 881 (S):      -1.526      -0.199       -----       1.649       0.842      -0.404
RESID 882 (F):       2.595       0.357       -----       2.008       1.232      -0.050
RESID 883 (S):       2.319      -0.056       -----      -1.566       0.867      -0.655
RESID 884 (T):      -8.274       0.075       -----      -0.816       0.117      -0.292
RESID 885 (A):       3.169      -0.249       -----       0.796       0.395      -0.365
RESID 886 (L):       2.458       0.191       -----      -1.194       2.027       0.693
RESID 887 (Y):       5.326      -0.354       -----       0.912       1.443       0.568
RESID 888 (G):       5.000       -----       -----       0.285       -----       0.325
RESID 889 (E):      -0.028       0.027       -----      -0.742       0.469       0.245
RESID 890 (S):      -2.190      -0.504       -----       0.452      -0.475      -0.077
RESID 891 (D):       3.404      -0.354       -----       0.835      -0.955       0.114

DATA CS_STAT_INFO  N  RMS:   2.809 ppm Count: 139 Average Difference: -0.409 +/- 2.789 ppm
DATA CS_STAT_INFO  HA RMS:   0.372 ppm Count: 160 Average Difference:  0.052 +/- 0.369 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   1.215 ppm Count: 150 Average Difference: -0.230 +/- 1.197 ppm
DATA CS_STAT_INFO  CB RMS:   1.124 ppm Count: 140 Average Difference:  0.120 +/- 1.121 ppm
DATA CS_STAT_INFO  HN RMS:   0.626 ppm Count: 139 Average Difference: -0.178 +/- 0.603 ppm


############################################################################
For conformer 12:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 742 (S):       HA         4.525         4.525         4.084         0.441
RESID 742 (S):       CA        58.148        58.148        59.844        -1.696
RESID 742 (S):       CB        63.791        63.791        62.891         0.900
RESID 743 (I):        N       122.172       122.172       121.511         0.661
RESID 743 (I):       HA         4.362         4.362         4.004         0.358
RESID 743 (I):       CA        60.421        60.421        62.283        -1.862
RESID 743 (I):       CB        39.166        39.166        38.568         0.598
RESID 743 (I):        H         8.132         8.132         8.433        -0.301
RESID 744 (S):        N       123.144       123.144       120.603         2.541
RESID 744 (S):       HA         4.449         4.449         4.594        -0.145
RESID 744 (S):       CA        57.463        57.463        56.795         0.668
RESID 744 (S):       CB        65.219        65.219        64.937         0.282
RESID 744 (S):        H         8.848         8.848         8.577         0.271
RESID 745 (Q):        N       121.619       121.619       124.451        -2.832
RESID 745 (Q):       HA         3.952         3.952         4.111        -0.159
RESID 745 (Q):       CA        58.768        58.768        59.141        -0.373
RESID 745 (Q):       CB        28.512        28.512        28.692        -0.180
RESID 745 (Q):        H         9.042         9.042         9.001         0.041
RESID 746 (E):        N       118.648       118.648       119.076        -0.428
RESID 746 (E):       HA         4.004         4.004         4.167        -0.163
RESID 746 (E):       CA        60.223        60.223        58.813         1.410
RESID 746 (E):       CB        28.854        28.854        29.650        -0.796
RESID 746 (E):        H         8.721         8.721         7.723         0.998
RESID 747 (Q):        N       120.463       120.463       119.875         0.588
RESID 747 (Q):       HA         3.766         3.766         4.138        -0.372
RESID 747 (Q):       CA        58.306        58.306        59.030        -0.724
RESID 747 (Q):       CB        28.948        28.948        28.194         0.754
RESID 747 (Q):        H         7.838         7.838         8.476        -0.638
RESID 748 (M):        N       119.252       119.252       115.222         4.030
RESID 748 (M):       HA         4.200         4.200         4.443        -0.243
RESID 748 (M):       CA        58.096        58.096        59.208        -1.111
RESID 748 (M):       CB        30.900        30.900        32.367        -1.467
RESID 748 (M):        H         8.473         8.473         8.329         0.144
RESID 749 (N):        N       117.740       117.740       118.916        -1.176
RESID 749 (N):       HA         4.474         4.474         4.508        -0.034
RESID 749 (N):       CA        55.795        55.795        55.939        -0.144
RESID 749 (N):       CB        37.413        37.413        38.697        -1.284
RESID 749 (N):        H         8.334         8.334         7.582         0.752
RESID 750 (E):        N       122.848       122.848       119.982         2.866
RESID 750 (E):       HA         4.204         4.204         4.124         0.080
RESID 750 (E):       CA        59.341        59.341        58.740         0.601
RESID 750 (E):       CB        29.184        29.184        29.322        -0.138
RESID 750 (E):        H         7.838         7.838         8.350        -0.512
RESID 751 (F):        N       120.177       120.177       122.451        -2.274
RESID 751 (F):       HA         5.021         5.021         4.353         0.668
RESID 751 (F):       CA        58.353        58.353        59.688        -1.335
RESID 751 (F):       CB        37.797        37.797        39.565        -1.768
RESID 751 (F):        H         8.785         8.785         8.464         0.321
RESID 752 (R):        N       120.528       120.528       120.133         0.395
RESID 752 (R):       HA         4.160         4.160         3.957         0.203
RESID 752 (R):       CA        59.704        59.704        58.312         1.392
RESID 752 (R):       CB        29.968        29.968        28.660         1.308
RESID 752 (R):        H         9.016         9.016         8.146         0.870
RESID 753 (A):        N       121.112       121.112       122.443        -1.331
RESID 753 (A):       HA         4.245         4.245         4.479        -0.234
RESID 753 (A):       CA        55.331        55.331        54.578         0.753
RESID 753 (A):       CB        17.823        17.823        17.831        -0.008
RESID 753 (A):        H         8.100         8.100         7.785         0.315
RESID 754 (S):        N       115.589       115.589       115.080         0.509
RESID 754 (S):       HA         4.452         4.452         4.191         0.261
RESID 754 (S):       CA        62.675        62.675        59.729         2.946
RESID 754 (S):       CB        63.359        63.359        62.629         0.730
RESID 754 (S):        H         8.391         8.391         7.789         0.602
RESID 755 (F):        N       121.886       121.886       118.922         2.964
RESID 755 (F):       HA         3.642         3.642         3.940        -0.298
RESID 755 (F):       CA        61.964        61.964        59.141         2.823
RESID 755 (F):       CB        39.822        39.822        38.593         1.229
RESID 755 (F):        H         8.675         8.675         7.731         0.944
RESID 756 (N):        N       113.618       113.618       113.936        -0.318
RESID 756 (N):       HA         4.427         4.427         4.037         0.390
RESID 756 (N):       CA        55.611        55.611        52.835         2.776
RESID 756 (N):       CB        37.838        37.838        39.026        -1.188
RESID 756 (N):        H         8.593         8.593         7.501         1.092
RESID 757 (H):        N       119.679       119.679       121.541        -1.862
RESID 757 (H):       HA         4.079         4.079         4.252        -0.173
RESID 757 (H):       CA        59.344        59.344        59.308         0.036
RESID 757 (H):       CB        29.889        29.889        29.913        -0.024
RESID 757 (H):        H         8.139         8.139         7.428         0.711
RESID 758 (F):        N       113.051       113.051       116.491        -3.440
RESID 758 (F):       HA         4.061         4.061         4.367        -0.306
RESID 758 (F):       CA        60.697        60.697        58.351         2.346
RESID 758 (F):       CB        38.735        38.735        40.603        -1.868
RESID 758 (F):        H         7.585         7.585         7.467         0.118
RESID 759 (D):        N       120.916       120.916       121.375        -0.459
RESID 759 (D):       HA         4.509         4.509         4.435         0.074
RESID 759 (D):       CA        52.171        52.171        54.859        -2.688
RESID 759 (D):       CB        38.009        38.009        40.520        -2.511
RESID 759 (D):        H         7.423         7.423         7.910        -0.487
RESID 760 (R):        N       124.819       124.819       125.406        -0.587
RESID 760 (R):       HA         3.768         3.768         4.055        -0.287
RESID 760 (R):       CA        58.275        58.275        58.704        -0.429
RESID 760 (R):       CB        30.249        30.249        30.630        -0.381
RESID 760 (R):        H         7.781         7.781         8.268        -0.487
RESID 761 (D):        N       113.673       113.673       113.537         0.136
RESID 761 (D):       HA         4.483         4.483         4.709        -0.226
RESID 761 (D):       CA        51.977        51.977        53.421        -1.444
RESID 761 (D):       CB        39.522        39.522        40.653        -1.131
RESID 761 (D):        H         7.821         7.821         8.091        -0.270
RESID 762 (H):        N       114.966       114.966       116.827        -1.861
RESID 762 (H):       HA         4.161         4.161         4.261        -0.100
RESID 762 (H):       CA        56.618        56.618        56.931        -0.313
RESID 762 (H):       CB        26.380        26.380        28.975        -2.595
RESID 762 (H):        H         7.744         7.744         7.853        -0.109
RESID 763 (S):        N       115.077       115.077       113.869         1.208
RESID 763 (S):       HA         4.336         4.336         4.362        -0.026
RESID 763 (S):       CA        59.860        59.860        59.823         0.037
RESID 763 (S):       CB        65.192        65.192        64.052         1.140
RESID 763 (S):        H         8.726         8.726         8.739        -0.013
RESID 764 (G):        N       116.915       116.915       110.655         6.260
RESID 764 (G):       CA        45.449        45.449        45.378         0.071
RESID 764 (G):        H        11.017        11.017         8.822         2.195
RESID 765 (T):        N       107.334       107.334       109.979        -2.645
RESID 765 (T):       HA         4.829         4.829         5.082        -0.253
RESID 765 (T):       CA        58.759        58.759        60.188        -1.429
RESID 765 (T):       CB        73.383        73.383        72.196         1.187
RESID 765 (T):        H         7.693         7.693         8.040        -0.347
RESID 766 (L):        N       124.664       124.664       123.837         0.827
RESID 766 (L):       HA         4.900         4.900         4.706         0.194
RESID 766 (L):       CA        52.339        52.339        53.928        -1.589
RESID 766 (L):       CB        42.339        42.339        42.990        -0.651
RESID 766 (L):        H         9.209         9.209         8.700         0.509
RESID 767 (G):        N       112.024       112.024       111.910         0.114
RESID 767 (G):       CA        44.123        44.123        43.851         0.272
RESID 767 (G):        H         8.910         8.910         8.322         0.588
RESID 768 (P):       HA         4.318         4.318         4.551        -0.233
RESID 768 (P):       CA        67.127        67.127        66.246         0.881
RESID 768 (P):       CB        32.029        32.029        32.088        -0.059
RESID 769 (E):        N       115.246       115.246       118.207        -2.961
RESID 769 (E):       HA         3.971         3.971         4.004        -0.033
RESID 769 (E):       CA        59.621        59.621        58.816         0.805
RESID 769 (E):       CB        28.628        28.628        28.918        -0.290
RESID 769 (E):        H         8.622         8.622         8.989        -0.367
RESID 770 (E):        N       121.127       121.127       118.625         2.502
RESID 770 (E):       HA         4.272         4.272         4.248         0.024
RESID 770 (E):       CA        58.497        58.497        58.376         0.121
RESID 770 (E):       CB        31.372        31.372        30.023         1.349
RESID 770 (E):        H         7.493         7.493         7.894        -0.401
RESID 771 (F):        N       117.688       117.688       122.140        -4.452
RESID 771 (F):       HA         4.355         4.355         4.281         0.074
RESID 771 (F):       CA        58.625        58.625        60.590        -1.965
RESID 771 (F):       CB        38.810        38.810        39.477        -0.667
RESID 771 (F):        H         9.110         9.110         8.944         0.166
RESID 772 (K):        N       119.789       119.789       118.487         1.302
RESID 772 (K):       HA         3.313         3.313         3.647        -0.334
RESID 772 (K):       CA        60.672        60.672        58.266         2.406
RESID 772 (K):       CB        31.979        31.979        30.830         1.149
RESID 772 (K):        H         8.594         8.594         8.040         0.554
RESID 773 (A):        N       118.461       118.461       120.724        -2.263
RESID 773 (A):       HA         3.881         3.881         3.992        -0.111
RESID 773 (A):       CA        55.013        55.013        53.671         1.342
RESID 773 (A):       CB        17.629        17.629        19.032        -1.403
RESID 773 (A):        H         7.231         7.231         7.399        -0.168
RESID 774 (C):        N       120.913       120.913       118.945         1.968
RESID 774 (C):       HA         2.435         2.435         2.755        -0.320
RESID 774 (C):       CA        61.174        61.174        62.130        -0.957
RESID 774 (C):       CB        26.215        26.215        27.575        -1.360
RESID 774 (C):        H         7.498         7.498         7.575        -0.077
RESID 775 (L):        N       119.201       119.201       118.611         0.590
RESID 775 (L):       HA         3.766         3.766         3.554         0.212
RESID 775 (L):       CA        57.932        57.932        56.412         1.520
RESID 775 (L):       CB        40.950        40.950        41.139        -0.189
RESID 775 (L):        H         8.372         8.372         7.535         0.837
RESID 776 (I):        N       121.051       121.051       118.422         2.629
RESID 776 (I):       HA         4.090         4.090         2.483         1.607
RESID 776 (I):       CA        65.244        65.244        64.230         1.014
RESID 776 (I):       CB        37.991        37.991        37.161         0.830
RESID 776 (I):        H         8.358         8.358         6.674         1.684
RESID 777 (S):        N       119.109       119.109       114.424         4.685
RESID 777 (S):       HA         4.291         4.291         4.213         0.078
RESID 777 (S):       CA        61.725        61.725        60.921         0.804
RESID 777 (S):       CB        62.995        62.995        63.077        -0.082
RESID 777 (S):        H         7.822         7.822         7.516         0.306
RESID 778 (L):        N       121.208       121.208       116.717         4.491
RESID 778 (L):       HA         4.506         4.506         4.310         0.196
RESID 778 (L):       CA        54.999        54.999        53.932         1.067
RESID 778 (L):       CB        42.670        42.670        41.934         0.736
RESID 778 (L):        H         7.671         7.671         7.070         0.601
RESID 779 (G):        N       106.232       106.232       106.470        -0.238
RESID 779 (G):       CA        45.287        45.287        44.943         0.344
RESID 779 (G):        H         7.897         7.897         7.288         0.609
RESID 780 (Y):        N       120.772       120.772       119.553         1.219
RESID 780 (Y):       HA         4.142         4.142         4.639        -0.497
RESID 780 (Y):       CA        59.231        59.231        55.290         3.941
RESID 780 (Y):       CB        38.341        38.341        38.552        -0.211
RESID 780 (Y):        H         8.072         8.072         7.579         0.493
RESID 781 (D):        N       124.304       124.304       117.900         6.404
RESID 781 (D):       HA         4.665         4.665         4.654         0.011
RESID 781 (D):       CA        53.148        53.148        53.970        -0.822
RESID 781 (D):       CB        39.804        39.804        40.555        -0.751
RESID 781 (D):        H         8.862         8.862         9.061        -0.199
RESID 782 (I):        N       122.271       122.271       113.011         9.260
RESID 782 (I):       HA         4.341         4.341         4.496        -0.155
RESID 782 (I):       CA        58.992        58.992        59.056        -0.064
RESID 782 (I):       CB        37.907        37.907        40.458        -2.550
RESID 782 (I):        H         7.344         7.344         6.907         0.437
RESID 783 (G):        N       112.322       112.322       106.230         6.092
RESID 783 (G):       CA        44.523        44.523        44.223         0.300
RESID 783 (G):        H         8.122         8.122         8.234        -0.112
RESID 784 (N):        N       118.727       118.727       117.385         1.342
RESID 784 (N):       HA         4.882         4.882         4.753         0.129
RESID 784 (N):       CA        52.098        52.098        52.801        -0.703
RESID 784 (N):       CB        37.424        37.424        39.103        -1.679
RESID 784 (N):        H         8.452         8.452         8.557        -0.105
RESID 785 (D):        N       119.826       119.826       119.225         0.601
RESID 785 (D):       HA         4.778         4.778         4.729         0.049
RESID 785 (D):       CA        52.164        52.164        52.519        -0.355
RESID 785 (D):       CB        39.657        39.657        40.930        -1.273
RESID 785 (D):        H         8.145         8.145         7.908         0.237
RESID 786 (P):       HA         4.271         4.271         4.329        -0.058
RESID 786 (P):       CA        66.265        66.265        65.371         0.894
RESID 786 (P):       CB        32.011        32.011        32.170        -0.159
RESID 787 (Q):        N       118.097       118.097       117.271         0.826
RESID 787 (Q):       HA         4.141         4.141         4.099         0.042
RESID 787 (Q):       CA        59.115        59.115        58.630         0.485
RESID 787 (Q):       CB        27.732        27.732        28.194        -0.462
RESID 787 (Q):        H         8.409         8.409         8.618        -0.209
RESID 788 (G):        N       113.421       113.421       107.367         6.054
RESID 788 (G):       CA        47.317        47.317        45.964         1.353
RESID 788 (G):        H         8.644         8.644         7.633         1.011
RESID 789 (E):        N       121.223       121.223       122.596        -1.373
RESID 789 (E):       HA         4.148         4.148         4.258        -0.110
RESID 789 (E):       CA        59.344        59.344        59.490        -0.146
RESID 789 (E):       CB        29.435        29.435        29.672        -0.237
RESID 789 (E):        H         8.514         8.514         8.710        -0.196
RESID 790 (A):        N       122.879       122.879       122.173         0.706
RESID 790 (A):       HA         4.247         4.247         4.140         0.107
RESID 790 (A):       CA        54.907        54.907        55.322        -0.415
RESID 790 (A):       CB        17.780        17.780        18.237        -0.457
RESID 790 (A):        H         8.024         8.024         7.673         0.351
RESID 791 (E):        N       122.622       122.622       118.772         3.850
RESID 791 (E):       HA         4.687         4.687         4.146         0.541
RESID 791 (E):       CA        58.134        58.134        58.358        -0.224
RESID 791 (E):       CB        29.061        29.061        29.486        -0.425
RESID 791 (E):        H         8.280         8.280         7.699         0.581
RESID 792 (F):        N       119.949       119.949       121.623        -1.674
RESID 792 (F):       HA         4.038         4.038         4.229        -0.191
RESID 792 (F):       CA        61.812        61.812        61.165         0.647
RESID 792 (F):       CB        38.598        38.598        38.505         0.093
RESID 792 (F):        H         8.722         8.722         8.780        -0.058
RESID 793 (A):        N       119.652       119.652       121.486        -1.834
RESID 793 (A):       HA         3.854         3.854         3.302         0.552
RESID 793 (A):       CA        54.902        54.902        54.397         0.505
RESID 793 (A):       CB        17.628        17.628        17.825        -0.196
RESID 793 (A):        H         8.163         8.163         8.119         0.044
RESID 794 (R):        N       121.092       121.092       119.376         1.716
RESID 794 (R):       HA         3.910         3.910         4.005        -0.095
RESID 794 (R):       CA        59.471        59.471        59.081         0.390
RESID 794 (R):       CB        30.092        30.092        30.205        -0.113
RESID 794 (R):        H         8.034         8.034         7.554         0.480
RESID 795 (I):        N       121.394       121.394       120.457         0.937
RESID 795 (I):       HA         3.388         3.388         3.722        -0.334
RESID 795 (I):       CA        65.848        65.848        65.337         0.511
RESID 795 (I):       CB        38.209        38.209        38.343        -0.134
RESID 795 (I):        H         8.049         8.049         8.199        -0.150
RESID 796 (M):        N       119.012       119.012       118.260         0.752
RESID 796 (M):       HA         4.155         4.155         3.946         0.209
RESID 796 (M):       CA        56.470        56.470        58.519        -2.049
RESID 796 (M):       CB        29.892        29.892        31.801        -1.909
RESID 796 (M):        H         8.589         8.589         8.160         0.429
RESID 797 (S):        N       114.132       114.132       112.780         1.352
RESID 797 (S):       HA         4.097         4.097         4.296        -0.199
RESID 797 (S):       CA        61.231        61.231        59.821         1.410
RESID 797 (S):       CB        62.895        62.895        63.449        -0.554
RESID 797 (S):        H         7.732         7.732         7.498         0.234
RESID 798 (I):        N       120.873       120.873       116.318         4.555
RESID 798 (I):       HA         3.818         3.818         4.173        -0.355
RESID 798 (I):       CA        63.875        63.875        62.975         0.900
RESID 798 (I):       CB        38.863        38.863        39.060        -0.197
RESID 798 (I):        H         7.352         7.352         7.678        -0.326
RESID 799 (V):        N       110.552       110.552       112.569        -2.017
RESID 799 (V):       HA         4.243         4.243         4.068         0.175
RESID 799 (V):       CA        62.616        62.616        61.200         1.416
RESID 799 (V):       CB        32.416        32.416        31.340         1.076
RESID 799 (V):        H         7.648         7.648         7.790        -0.142
RESID 800 (D):        N       119.435       119.435       120.008        -0.573
RESID 800 (D):       HA         5.225         5.225         5.047         0.178
RESID 800 (D):       CA        51.715        51.715        50.185         1.530
RESID 800 (D):       CB        41.086        41.086        41.959        -0.874
RESID 800 (D):        H         8.074         8.074         7.494         0.580
RESID 801 (P):       HA         4.331         4.331         4.436        -0.105
RESID 801 (P):       CA        64.819        64.819        63.958         0.861
RESID 801 (P):       CB        31.689        31.689        31.977        -0.288
RESID 802 (N):        N       115.164       115.164       115.940        -0.776
RESID 802 (N):       HA         4.760         4.760         4.783        -0.023
RESID 802 (N):       CA        52.998        52.998        52.967         0.031
RESID 802 (N):       CB        37.952        37.952        39.927        -1.975
RESID 802 (N):        H         8.949         8.949         7.743         1.206
RESID 803 (R):        N       117.446       117.446       116.697         0.749
RESID 803 (R):       HA         3.830         3.830         4.146        -0.316
RESID 803 (R):       CA        56.888        56.888        57.002        -0.113
RESID 803 (R):       CB        26.354        26.354        27.544        -1.190
RESID 803 (R):        H         7.958         7.958         7.860         0.098
RESID 804 (L):        N       123.307       123.307       117.273         6.034
RESID 804 (L):       HA         4.156         4.156         4.627        -0.471
RESID 804 (L):       CA        56.373        56.373        54.687         1.686
RESID 804 (L):       CB        42.930        42.930        42.146         0.784
RESID 804 (L):        H        10.591        10.591         7.856         2.735
RESID 805 (G):        N       110.516       110.516       107.655         2.861
RESID 805 (G):       CA        44.944        44.944        45.518        -0.574
RESID 805 (G):        H        11.001        11.001         9.030         1.971
RESID 806 (V):        N       109.840       109.840       114.747        -4.907
RESID 806 (V):       HA         4.571         4.571         4.263         0.308
RESID 806 (V):       CA        58.566        58.566        60.092        -1.526
RESID 806 (V):       CB        36.853        36.853        35.403         1.450
RESID 806 (V):        H         6.831         6.831         7.044        -0.213
RESID 807 (V):        N       122.184       122.184       121.700         0.484
RESID 807 (V):       HA         4.167         4.167         4.250        -0.083
RESID 807 (V):       CA        61.644        61.644        60.609         1.035
RESID 807 (V):       CB        32.383        32.383        31.108         1.275
RESID 807 (V):        H         9.007         9.007         8.826         0.181
RESID 808 (T):        N       117.391       117.391       117.347         0.044
RESID 808 (T):       HA         4.593         4.593         4.607        -0.014
RESID 808 (T):       CA        60.615        60.615        58.502         2.113
RESID 808 (T):       CB        70.695        70.695        70.910        -0.215
RESID 808 (T):        H         7.925         7.925         7.463         0.462
RESID 809 (F):        N       122.236       122.236       119.539         2.697
RESID 809 (F):       HA         3.640         3.640         4.459        -0.819
RESID 809 (F):       CA        61.749        61.749        61.147         0.603
RESID 809 (F):       CB        38.177        38.177        37.594         0.583
RESID 809 (F):        H         9.349         9.349         8.031         1.318
RESID 810 (Q):        N       116.788       116.788       116.310         0.478
RESID 810 (Q):       HA         3.598         3.598         4.209        -0.611
RESID 810 (Q):       CA        58.582        58.582        57.722         0.860
RESID 810 (Q):       CB        28.199        28.199        28.610        -0.411
RESID 810 (Q):        H         8.572         8.572         7.848         0.724
RESID 811 (A):        N       121.208       121.208       121.778        -0.570
RESID 811 (A):       HA         4.119         4.119         4.237        -0.118
RESID 811 (A):       CA        54.911        54.911        53.662         1.249
RESID 811 (A):       CB        19.265        19.265        19.102         0.163
RESID 811 (A):        H         7.667         7.667         7.717        -0.050
RESID 812 (F):        N       119.805       119.805       118.861         0.944
RESID 812 (F):       HA         3.980         3.980         4.369        -0.389
RESID 812 (F):       CA        61.740        61.740        62.088        -0.348
RESID 812 (F):       CB        39.670        39.670        38.679         0.991
RESID 812 (F):        H         8.400         8.400         8.327         0.073
RESID 813 (I):        N       118.098       118.098       118.924        -0.826
RESID 813 (I):       HA         3.146         3.146         3.973        -0.827
RESID 813 (I):       CA        63.299        63.299        62.317         0.982
RESID 813 (I):       CB        36.202        36.202        36.464        -0.262
RESID 813 (I):        H         8.364         8.364         7.984         0.380
RESID 814 (D):        N       123.528       123.528       120.443         3.085
RESID 814 (D):       HA         4.196         4.196         4.355        -0.159
RESID 814 (D):       CA        57.680        57.680        57.859        -0.179
RESID 814 (D):       CB        40.236        40.236        40.880        -0.644
RESID 814 (D):        H         8.221         8.221         7.903         0.318
RESID 815 (F):        N       120.584       120.584       119.533         1.051
RESID 815 (F):       HA         4.129         4.129         4.424        -0.295
RESID 815 (F):       CA        61.084        61.084        60.618         0.466
RESID 815 (F):       CB        39.698        39.698        39.665         0.033
RESID 815 (F):        H         7.887         7.887         7.855         0.032
RESID 816 (M):        N       116.960       116.960       118.465        -1.505
RESID 816 (M):       HA         3.782         3.782         4.045        -0.263
RESID 816 (M):       CA        55.662        55.662        57.411        -1.750
RESID 816 (M):       CB        30.033        30.033        31.734        -1.701
RESID 816 (M):        H         8.372         8.372         8.052         0.320
RESID 817 (S):        N       114.277       114.277       112.105         2.172
RESID 817 (S):       HA         4.194         4.194         4.363        -0.169
RESID 817 (S):       CA        60.521        60.521        60.141         0.380
RESID 817 (S):       CB        63.185        63.185        63.465        -0.280
RESID 817 (S):        H         8.074         8.074         8.334        -0.260
RESID 818 (R):        N       121.493       121.493       121.344         0.149
RESID 818 (R):       HA         4.124         4.124         4.127        -0.003
RESID 818 (R):       CA        57.684        57.684        57.321         0.363
RESID 818 (R):       CB        30.315        30.315        29.565         0.750
RESID 818 (R):        H         7.288         7.288         7.819        -0.531
RESID 819 (E):        N       119.737       119.737       117.802         1.935
RESID 819 (E):       HA         4.101         4.101         4.067         0.034
RESID 819 (E):       CA        57.066        57.066        58.403        -1.337
RESID 819 (E):       CB        30.491        30.491        29.190         1.301
RESID 819 (E):        H         8.045         8.045         7.566         0.479
RESID 820 (T):        N       112.128       112.128       110.989         1.139
RESID 820 (T):       HA         4.280         4.280         3.898         0.382
RESID 820 (T):       CA        62.055        62.055        62.776        -0.721
RESID 820 (T):       CB        69.828        69.828        68.855         0.973
RESID 820 (T):        H         7.760         7.760         7.363         0.397
RESID 821 (A):        N       126.098       126.098       123.191         2.907
RESID 821 (A):       HA         4.284         4.284         4.451        -0.167
RESID 821 (A):       CA        52.726        52.726        50.300         2.426
RESID 821 (A):       CB        19.304        19.304        21.031        -1.727
RESID 821 (A):        H         7.957         7.957         7.012         0.945
RESID 822 (D):        N       119.904       119.904       119.670         0.234
RESID 822 (D):       HA         4.613         4.613         4.690        -0.077
RESID 822 (D):       CA        54.335        54.335        54.126         0.209
RESID 822 (D):       CB        41.032        41.032        41.948        -0.916
RESID 822 (D):        H         8.352         8.352         8.427        -0.075
RESID 823 (T):        N       114.142       114.142       112.966         1.176
RESID 823 (T):       HA         4.278         4.278         4.577        -0.299
RESID 823 (T):       CA        62.117        62.117        61.118         0.999
RESID 823 (T):       CB        69.584        69.584        72.317        -2.733
RESID 823 (T):        H         8.079         8.079         8.378        -0.299
RESID 824 (D):        N       123.261       123.261       123.250         0.011
RESID 824 (D):       HA         4.657         4.657         4.575         0.082
RESID 824 (D):       CA        54.786        54.786        57.215        -2.429
RESID 824 (D):       CB        41.085        41.085        40.819         0.266
RESID 824 (D):        H         8.431         8.431         8.978        -0.547
RESID 825 (T):        N       114.932       114.932       111.691         3.241
RESID 825 (T):       HA         4.161         4.161         4.328        -0.167
RESID 825 (T):       CA        63.109        63.109        63.919        -0.810
RESID 825 (T):       CB        69.455        69.455        68.472         0.983
RESID 825 (T):        H         8.155         8.155         8.396        -0.241
RESID 826 (A):        N       124.961       124.961       124.418         0.543
RESID 826 (A):       HA         4.160         4.160         4.065         0.095
RESID 826 (A):       CA        54.392        54.392        54.674        -0.282
RESID 826 (A):       CB        18.610        18.610        18.396         0.214
RESID 826 (A):        H         8.379         8.379         7.574         0.805
RESID 827 (D):        N       117.765       117.765       117.589         0.176
RESID 827 (D):       HA         4.425         4.425         4.380         0.045
RESID 827 (D):       CA        56.051        56.051        56.967        -0.916
RESID 827 (D):       CB        40.559        40.559        40.957        -0.398
RESID 827 (D):        H         8.250         8.250         7.982         0.268
RESID 828 (Q):        N       120.523       120.523       117.693         2.830
RESID 828 (Q):       HA         4.091         4.091         4.129        -0.038
RESID 828 (Q):       CA        57.814        57.814        58.141        -0.327
RESID 828 (Q):       CB        28.549        28.549        28.973        -0.424
RESID 828 (Q):        H         8.076         8.076         7.842         0.234
RESID 829 (V):        N       120.970       120.970       121.007        -0.037
RESID 829 (V):       HA         3.525         3.525         3.766        -0.241
RESID 829 (V):       CA        65.194        65.194        64.575         0.619
RESID 829 (V):       CB        31.541        31.541        31.698        -0.157
RESID 829 (V):        H         8.051         8.051         7.269         0.782
RESID 830 (M):        N       119.572       119.572       117.629         1.943
RESID 830 (M):       HA         4.006         4.006         3.199         0.807
RESID 830 (M):       CA        57.977        57.977        57.093         0.884
RESID 830 (M):       CB        31.995        31.995        31.461         0.534
RESID 830 (M):        H         8.110         8.110         8.067         0.043
RESID 831 (A):        N       121.059       121.059       122.716        -1.657
RESID 831 (A):       HA         4.045         4.045         3.956         0.089
RESID 831 (A):       CA        54.501        54.501        54.249         0.252
RESID 831 (A):       CB        18.067        18.067        17.977         0.090
RESID 831 (A):        H         7.836         7.836         7.401         0.435
RESID 832 (S):        N       114.256       114.256       115.348        -1.092
RESID 832 (S):       HA         4.141         4.141         4.066         0.075
RESID 832 (S):       CA        60.845        60.845        61.145        -0.300
RESID 832 (S):       CB        62.613        62.613        62.896        -0.283
RESID 832 (S):        H         7.714         7.714         7.564         0.150
RESID 833 (F):        N       121.847       121.847       120.636         1.211
RESID 833 (F):       HA         3.823         3.823         4.248        -0.425
RESID 833 (F):       CA        58.627        58.627        57.717         0.910
RESID 833 (F):       CB        38.127        38.127        37.755         0.372
RESID 833 (F):        H         7.740         7.740         7.438         0.302
RESID 834 (K):        N       118.759       118.759       120.453        -1.694
RESID 834 (K):       HA         3.589         3.589         3.511         0.078
RESID 834 (K):       CA        59.384        59.384        58.533         0.850
RESID 834 (K):       CB        32.143        32.143        31.779         0.364
RESID 834 (K):        H         7.843         7.843         7.704         0.139
RESID 835 (I):        N       118.537       118.537       119.534        -0.997
RESID 835 (I):       HA         3.736         3.736         3.732         0.004
RESID 835 (I):       CA        63.714        63.714        64.539        -0.825
RESID 835 (I):       CB        37.825        37.825        37.855        -0.030
RESID 835 (I):        H         7.315         7.315         7.145         0.170
RESID 836 (L):        N       121.201       121.201       118.919         2.282
RESID 836 (L):       HA         3.955         3.955         3.842         0.113
RESID 836 (L):       CA        57.074        57.074        57.005         0.069
RESID 836 (L):       CB        42.415        42.415        42.069         0.346
RESID 836 (L):        H         7.625         7.625         7.812        -0.187
RESID 837 (A):        N       119.184       119.184       118.673         0.511
RESID 837 (A):       HA         3.895         3.895         3.884         0.011
RESID 837 (A):       CA        53.301        53.301        53.934        -0.633
RESID 837 (A):       CB        19.338        19.338        19.067         0.271
RESID 837 (A):        H         8.099         8.099         7.743         0.356
RESID 838 (G):        N       107.030       107.030       106.351         0.679
RESID 838 (G):       CA        46.918        46.918        46.925        -0.007
RESID 838 (G):        H         7.676         7.676         8.379        -0.703
RESID 839 (D):        N       122.291       122.291       124.332        -2.041
RESID 839 (D):       HA         4.477         4.477         4.701        -0.224
RESID 839 (D):       CA        54.511        54.511        54.102         0.409
RESID 839 (D):       CB        40.181        40.181        41.477        -1.296
RESID 839 (D):        H         8.704         8.704         8.048         0.656
RESID 840 (K):        N       117.582       117.582       120.916        -3.334
RESID 840 (K):       HA         4.301         4.301         4.374        -0.073
RESID 840 (K):       CA        55.780        55.780        55.897        -0.117
RESID 840 (K):       CB        33.710        33.710        33.007         0.703
RESID 840 (K):        H         7.583         7.583         7.467         0.116
RESID 841 (N):        N       116.678       116.678       115.495         1.183
RESID 841 (N):       HA         4.611         4.611         4.642        -0.031
RESID 841 (N):       CA        53.466        53.466        53.567        -0.101
RESID 841 (N):       CB        39.155        39.155        39.225        -0.070
RESID 841 (N):        H         8.693         8.693         8.887        -0.194
RESID 842 (Y):        N       112.236       112.236       114.028        -1.792
RESID 842 (Y):       HA         4.986         4.986         4.781         0.205
RESID 842 (Y):       CA        54.918        54.918        56.160        -1.242
RESID 842 (Y):       CB        40.595        40.595        40.460         0.135
RESID 842 (Y):        H         6.637         6.637         7.247        -0.610
RESID 843 (I):        N       115.475       115.475       121.962        -6.487
RESID 843 (I):       HA         4.792         4.792         4.465         0.327
RESID 843 (I):       CA        58.957        58.957        58.300         0.657
RESID 843 (I):       CB        43.009        43.009        42.790         0.219
RESID 843 (I):        H         8.630         8.630         9.278        -0.648
RESID 844 (T):        N       117.169       117.169       118.435        -1.266
RESID 844 (T):       HA         5.370         5.370         5.215         0.155
RESID 844 (T):       CA        60.177        60.177        60.639        -0.462
RESID 844 (T):       CB        71.088        71.088        70.601         0.487
RESID 844 (T):        H         9.330         9.330         9.333        -0.003
RESID 845 (M):        N       119.860       119.860       120.487        -0.627
RESID 845 (M):       HA         3.824         3.824         3.958        -0.134
RESID 845 (M):       CA        60.321        60.321        60.348        -0.027
RESID 845 (M):       CB        33.030        33.030        32.280         0.750
RESID 845 (M):        H         8.556         8.556         8.729        -0.173
RESID 846 (D):        N       116.363       116.363       117.647        -1.284
RESID 846 (D):       HA         4.280         4.280         4.416        -0.136
RESID 846 (D):       CA        57.404        57.404        56.418         0.986
RESID 846 (D):       CB        40.584        40.584        40.043         0.541
RESID 846 (D):        H         8.377         8.377         8.616        -0.239
RESID 847 (E):        N       120.577       120.577       118.397         2.180
RESID 847 (E):       HA         3.854         3.854         4.134        -0.280
RESID 847 (E):       CA        59.657        59.657        58.615         1.042
RESID 847 (E):       CB        29.660        29.660        29.968        -0.308
RESID 847 (E):        H         7.855         7.855         7.504         0.351
RESID 848 (L):        N       118.714       118.714       119.573        -0.859
RESID 848 (L):       HA         3.822         3.822         3.911        -0.089
RESID 848 (L):       CA        58.725        58.725        57.560         1.165
RESID 848 (L):       CB        42.457        42.457        41.825         0.631
RESID 848 (L):        H         7.849         7.849         7.376         0.473
RESID 849 (R):        N       113.972       113.972       115.356        -1.384
RESID 849 (R):       HA         3.924         3.924         4.382        -0.458
RESID 849 (R):       CA        58.595        58.595        56.978         1.617
RESID 849 (R):       CB        30.100        30.100        29.444         0.656
RESID 849 (R):        H         8.053         8.053         7.602         0.451
RESID 850 (R):        N       118.178       118.178       118.161         0.017
RESID 850 (R):       HA         4.193         4.193         4.397        -0.204
RESID 850 (R):       CA        58.245        58.245        57.567         0.678
RESID 850 (R):       CB        31.120        31.120        31.023         0.097
RESID 850 (R):        H         7.743         7.743         7.401         0.342
RESID 851 (E):        N       115.518       115.518       119.414        -3.896
RESID 851 (E):       HA         4.350         4.350         4.396        -0.046
RESID 851 (E):       CA        56.886        56.886        57.265        -0.379
RESID 851 (E):       CB        31.590        31.590        31.000         0.590
RESID 851 (E):        H         7.596         7.596         7.838        -0.242
RESID 852 (L):        N       119.148       119.148       121.625        -2.477
RESID 852 (L):       HA         4.894         4.894         5.100        -0.206
RESID 852 (L):       CA        52.174        52.174        51.527         0.647
RESID 852 (L):       CB        42.469        42.469        41.945         0.524
RESID 852 (L):        H         7.890         7.890         7.795         0.095
RESID 853 (P):       HA         4.347         4.347         4.471        -0.124
RESID 853 (P):       CA        65.119        65.119        64.552         0.567
RESID 853 (P):       CB        31.631        31.631        30.265         1.366
RESID 854 (P):       HA         4.270         4.270         4.598        -0.328
RESID 854 (P):       CA        66.336        66.336        62.547         3.788
RESID 854 (P):       CB        32.256        32.256        33.024        -0.768
RESID 855 (D):        N       114.865       114.865       119.042        -4.177
RESID 855 (D):       HA         4.349         4.349         4.510        -0.161
RESID 855 (D):       CA        56.913        56.913        57.369        -0.456
RESID 855 (D):       CB        39.244        39.244        40.865        -1.621
RESID 855 (D):        H         8.801         8.801         8.196         0.605
RESID 856 (Q):        N       121.465       121.465       119.009         2.456
RESID 856 (Q):       HA         4.199         4.199         4.330        -0.131
RESID 856 (Q):       CA        58.317        58.317        59.617        -1.300
RESID 856 (Q):       CB        29.247        29.247        28.403         0.844
RESID 856 (Q):        H         7.472         7.472         8.604        -1.132
RESID 857 (A):        N       122.805       122.805       122.294         0.511
RESID 857 (A):       HA         3.799         3.799         3.905        -0.106
RESID 857 (A):       CA        56.303        56.303        56.021         0.282
RESID 857 (A):       CB        17.944        17.944        18.203        -0.259
RESID 857 (A):        H         8.882         8.882         7.982         0.900
RESID 858 (E):        N       114.094       114.094       118.376        -4.282
RESID 858 (E):       HA         4.024         4.024         4.075        -0.051
RESID 858 (E):       CA        58.682        58.682        58.567         0.115
RESID 858 (E):       CB        28.639        28.639        29.206        -0.567
RESID 858 (E):        H         8.155         8.155         7.946         0.209
RESID 859 (Y):        N       120.665       120.665       122.879        -2.214
RESID 859 (Y):       HA         4.084         4.084         4.250        -0.166
RESID 859 (Y):       CA        61.006        61.006        61.086        -0.080
RESID 859 (Y):       CB        38.687        38.687        38.140         0.547
RESID 859 (Y):        H         7.708         7.708         8.615        -0.907
RESID 860 (C):        N       115.812       115.812       117.865        -2.053
RESID 860 (C):       HA         4.158         4.158         3.404         0.754
RESID 860 (C):       CA        64.254        64.254        63.974         0.280
RESID 860 (C):       CB        27.304        27.304        26.951         0.353
RESID 860 (C):        H         8.113         8.113         8.061         0.052
RESID 861 (I):        N       120.078       120.078       119.942         0.136
RESID 861 (I):       HA         3.339         3.339         3.556        -0.217
RESID 861 (I):       CA        65.643        65.643        65.427         0.216
RESID 861 (I):       CB        38.714        38.714        37.864         0.850
RESID 861 (I):        H         8.453         8.453         7.780         0.673
RESID 862 (A):        N       116.691       116.691       120.082        -3.391
RESID 862 (A):       HA         4.209         4.209         4.077         0.132
RESID 862 (A):       CA        53.222        53.222        54.862        -1.640
RESID 862 (A):       CB        19.002        19.002        18.997         0.005
RESID 862 (A):        H         7.307         7.307         8.247        -0.940
RESID 863 (R):        N       117.226       117.226       116.106         1.120
RESID 863 (R):       HA         4.274         4.274         4.418        -0.144
RESID 863 (R):       CA        56.051        56.051        56.045         0.006
RESID 863 (R):       CB        31.389        31.389        30.848         0.541
RESID 863 (R):        H         7.358         7.358         7.500        -0.142
RESID 864 (M):        N       117.583       117.583       119.170        -1.587
RESID 864 (M):       HA         4.561         4.561         4.392         0.169
RESID 864 (M):       CA        54.927        54.927        56.439        -1.512
RESID 864 (M):       CB        37.418        37.418        34.196         3.222
RESID 864 (M):        H         7.153         7.153         7.570        -0.417
RESID 865 (A):        N       124.643       124.643       124.502         0.141
RESID 865 (A):       HA         3.866         3.866         4.693        -0.827
RESID 865 (A):       CA        49.194        49.194        49.542        -0.348
RESID 865 (A):       CB        18.647        18.647        18.516         0.131
RESID 865 (A):        H         8.557         8.557         8.094         0.463
RESID 866 (P):       HA         4.496         4.496         4.501        -0.005
RESID 866 (P):       CA        62.724        62.724        62.864        -0.140
RESID 866 (P):       CB        31.980        31.980        30.346         1.635
RESID 867 (Y):        N       122.461       122.461       126.441        -3.980
RESID 867 (Y):       HA         4.728         4.728         4.550         0.178
RESID 867 (Y):       CA        57.096        57.096        57.373        -0.278
RESID 867 (Y):       CB        39.175        39.175        38.466         0.709
RESID 867 (Y):        H         8.128         8.128         8.179        -0.051
RESID 868 (T):       HA         4.351         4.351         4.469        -0.118
RESID 868 (T):       CA        60.271        60.271        60.609        -0.338
RESID 868 (T):       CB        68.737        68.737        71.077        -2.340
RESID 869 (G):       CA        44.914        44.914        44.733         0.181
RESID 870 (P):       HA         4.329         4.329         4.428        -0.099
RESID 870 (P):       CA        64.697        64.697        64.267         0.430
RESID 870 (P):       CB        31.579        31.579        32.086        -0.507
RESID 871 (D):        N       116.207       116.207       117.354        -1.147
RESID 871 (D):       HA         4.604         4.604         4.855        -0.251
RESID 871 (D):       CA        52.749        52.749        53.167        -0.418
RESID 871 (D):       CB        38.929        38.929        41.024        -2.095
RESID 871 (D):        H         9.267         9.267         8.338         0.929
RESID 872 (S):        N       112.349       112.349       114.195        -1.846
RESID 872 (S):       HA         3.497         3.497         4.397        -0.900
RESID 872 (S):       CA        59.065        59.065        57.790         1.275
RESID 872 (S):       CB        63.125        63.125        63.989        -0.864
RESID 872 (S):        H         7.487         7.487         7.238         0.249
RESID 873 (V):        N       113.567       113.567       114.389        -0.822
RESID 873 (V):       HA         4.729         4.729         4.591         0.138
RESID 873 (V):       CA        58.044        58.044        57.774         0.270
RESID 873 (V):       CB        32.911        32.911        32.858         0.053
RESID 873 (V):        H         6.411         6.411         8.070        -1.659
RESID 874 (P):       HA         4.296         4.296         4.469        -0.173
RESID 874 (P):       CA        64.335        64.335        63.359         0.976
RESID 874 (P):       CB        31.515        31.515        32.090        -0.575
RESID 875 (G):        N       112.118       112.118       110.174         1.944
RESID 875 (G):       CA        45.557        45.557        45.097         0.460
RESID 875 (G):        H         8.800         8.800         8.565         0.235
RESID 876 (A):        N       120.262       120.262       122.486        -2.224
RESID 876 (A):       HA         4.100         4.100         5.569        -1.469
RESID 876 (A):       CA        53.073        53.073        50.632         2.441
RESID 876 (A):       CB        20.508        20.508        21.731        -1.223
RESID 876 (A):        H         7.762         7.762         7.681         0.081
RESID 877 (L):        N       125.695       125.695       121.512         4.183
RESID 877 (L):       HA         4.776         4.776         5.226        -0.450
RESID 877 (L):       CA        54.269        54.269        53.702         0.567
RESID 877 (L):       CB        44.799        44.799        47.095        -2.296
RESID 877 (L):        H         9.595         9.595         9.351         0.244
RESID 878 (D):        N       119.823       119.823       121.502        -1.679
RESID 878 (D):       HA         4.879         4.879         4.525         0.354
RESID 878 (D):       CA        51.997        51.997        52.305        -0.308
RESID 878 (D):       CB        40.781        40.781        41.275        -0.494
RESID 878 (D):        H         9.031         9.031         8.082         0.949
RESID 879 (Y):        N       126.556       126.556       123.822         2.734
RESID 879 (Y):       HA         4.591         4.591         4.408         0.183
RESID 879 (Y):       CA        59.396        59.396        60.068        -0.672
RESID 879 (Y):       CB        37.321        37.321        37.835        -0.514
RESID 879 (Y):        H         7.456         7.456         8.043        -0.587
RESID 880 (M):        N       119.958       119.958       112.850         7.108
RESID 880 (M):       HA         4.605         4.605         4.906        -0.301
RESID 880 (M):       CA        56.044        56.044        56.586        -0.542
RESID 880 (M):       CB        30.101        30.101        33.406        -3.305
RESID 880 (M):        H         7.627         7.627         7.630        -0.003
RESID 881 (S):        N       114.328       114.328       115.822        -1.494
RESID 881 (S):       HA         4.471         4.471         4.621        -0.150
RESID 881 (S):       CA        58.917        58.917        57.190         1.727
RESID 881 (S):       CB        64.447        64.447        63.790         0.657
RESID 881 (S):        H         7.726         7.726         7.788        -0.062
RESID 882 (F):        N       122.735       122.735       120.269         2.466
RESID 882 (F):       HA         4.722         4.722         4.359         0.363
RESID 882 (F):       CA        59.231        59.231        57.793         1.438
RESID 882 (F):       CB        40.285        40.285        39.272         1.013
RESID 882 (F):        H         7.385         7.385         7.464        -0.079
RESID 883 (S):        N       120.156       120.156       115.823         4.333
RESID 883 (S):       HA         4.299         4.299         4.595        -0.296
RESID 883 (S):       CA        57.280        57.280        56.992         0.288
RESID 883 (S):       CB        64.601        64.601        66.149        -1.548
RESID 883 (S):        H         7.472         7.472         8.641        -1.169
RESID 884 (T):        N       110.683       110.683       111.985        -1.302
RESID 884 (T):       HA         3.966         3.966         4.452        -0.486
RESID 884 (T):       CA        63.465        63.465        62.938         0.527
RESID 884 (T):       CB        68.899        68.899        68.509         0.390
RESID 884 (T):        H         7.996         7.996         8.391        -0.395
RESID 885 (A):        N       125.456       125.456       123.312         2.144
RESID 885 (A):       HA         4.236         4.236         4.249        -0.013
RESID 885 (A):       CA        52.030        52.030        52.385        -0.355
RESID 885 (A):       CB        19.225        19.225        19.203         0.022
RESID 885 (A):        H         7.905         7.905         8.133        -0.228
RESID 886 (L):        N       120.638       120.638       117.370         3.268
RESID 886 (L):       HA         4.002         4.002         3.744         0.258
RESID 886 (L):       CA        55.462        55.462        55.601        -0.139
RESID 886 (L):       CB        42.265        42.265        41.197         1.068
RESID 886 (L):        H         8.079         8.079         7.419         0.660
RESID 887 (Y):        N       121.526       121.526       114.513         7.013
RESID 887 (Y):       HA         4.356         4.356         4.300         0.056
RESID 887 (Y):       CA        58.750        58.750        58.711         0.039
RESID 887 (Y):       CB        38.569        38.569        36.110         2.459
RESID 887 (Y):        H         8.267         8.267         8.702        -0.435
RESID 888 (G):        N       112.379       112.379       107.131         5.248
RESID 888 (G):       CA        45.090        45.090        44.380         0.709
RESID 888 (G):        H         8.087         8.087         8.043         0.044
RESID 889 (E):        N       120.255       120.255       119.216         1.039
RESID 889 (E):       HA         4.256         4.256         4.250         0.006
RESID 889 (E):       CA        56.445        56.445        57.852        -1.407
RESID 889 (E):       CB        30.393        30.393        30.152         0.241
RESID 889 (E):        H         7.994         7.994         7.821         0.173
RESID 890 (S):        N       116.375       116.375       112.275         4.100
RESID 890 (S):       HA         4.415         4.415         4.695        -0.280
RESID 890 (S):       CA        58.204        58.204        57.341         0.863
RESID 890 (S):       CB        63.913        63.913        65.891        -1.978
RESID 890 (S):        H         8.329         8.329         7.782         0.547
RESID 891 (D):        N       123.017       123.017       120.807         2.210
RESID 891 (D):       HA         4.610         4.610         5.164        -0.554
RESID 891 (D):       CA        54.371        54.371        53.352         1.019
RESID 891 (D):       CB        41.013        41.013        41.891        -0.878
RESID 891 (D):        H         8.394         8.394         8.126         0.268

                         N          HA           C          CA          CB           H
RESID 743 (I):       0.661       0.358       -----      -1.862       0.598      -0.301
RESID 744 (S):       2.541      -0.145       -----       0.668       0.282       0.271
RESID 745 (Q):      -2.832      -0.159       -----      -0.373      -0.180       0.041
RESID 746 (E):      -0.428      -0.163       -----       1.410      -0.796       0.998
RESID 747 (Q):       0.588      -0.372       -----      -0.724       0.754      -0.638
RESID 748 (M):       4.030      -0.243       -----      -1.111      -1.467       0.144
RESID 749 (N):      -1.176      -0.034       -----      -0.144      -1.284       0.752
RESID 750 (E):       2.866       0.080       -----       0.601      -0.138      -0.512
RESID 751 (F):      -2.274       0.668       -----      -1.335      -1.768       0.321
RESID 752 (R):       0.395       0.203       -----       1.392       1.308       0.870
RESID 753 (A):      -1.331      -0.234       -----       0.753      -0.008       0.315
RESID 754 (S):       0.509       0.261       -----       2.946       0.730       0.602
RESID 755 (F):       2.964      -0.298       -----       2.823       1.229       0.944
RESID 756 (N):      -0.318       0.390       -----       2.776      -1.188       1.092
RESID 757 (H):      -1.862      -0.173       -----       0.036      -0.024       0.711
RESID 758 (F):      -3.440      -0.306       -----       2.346      -1.868       0.118
RESID 759 (D):      -0.459       0.074       -----      -2.688      -2.511      -0.487
RESID 760 (R):      -0.587      -0.287       -----      -0.429      -0.381      -0.487
RESID 761 (D):       0.136      -0.226       -----      -1.444      -1.131      -0.270
RESID 762 (H):      -1.861      -0.100       -----      -0.313      -2.595      -0.109
RESID 763 (S):       1.208      -0.026       -----       0.037       1.140      -0.013
RESID 764 (G):       6.260       -----       -----       0.071       -----       2.195
RESID 765 (T):      -2.645      -0.253       -----      -1.429       1.187      -0.347
RESID 766 (L):       0.827       0.194       -----      -1.589      -0.651       0.509
RESID 767 (G):       0.114       -----       -----       0.272       -----       0.588
RESID 768 (P):       -----      -0.233       -----       0.881      -0.059       -----
RESID 769 (E):      -2.961      -0.033       -----       0.805      -0.290      -0.367
RESID 770 (E):       2.502       0.024       -----       0.121       1.349      -0.401
RESID 771 (F):      -4.452       0.074       -----      -1.965      -0.667       0.166
RESID 772 (K):       1.302      -0.334       -----       2.406       1.149       0.554
RESID 773 (A):      -2.263      -0.111       -----       1.342      -1.403      -0.168
RESID 774 (C):       1.968      -0.320       -----      -0.957      -1.360      -0.077
RESID 775 (L):       0.590       0.212       -----       1.520      -0.189       0.837
RESID 776 (I):       2.629       1.607       -----       1.014       0.830       1.684
RESID 777 (S):       4.685       0.078       -----       0.804      -0.082       0.306
RESID 778 (L):       4.491       0.196       -----       1.067       0.736       0.601
RESID 779 (G):      -0.238       -----       -----       0.344       -----       0.609
RESID 780 (Y):       1.219      -0.497       -----       3.941      -0.211       0.493
RESID 781 (D):       6.404       0.011       -----      -0.822      -0.751      -0.199
RESID 782 (I):       9.260      -0.155       -----      -0.064      -2.550       0.437
RESID 783 (G):       6.092       -----       -----       0.300       -----      -0.112
RESID 784 (N):       1.342       0.129       -----      -0.703      -1.679      -0.105
RESID 785 (D):       0.601       0.049       -----      -0.355      -1.273       0.237
RESID 786 (P):       -----      -0.058       -----       0.894      -0.159       -----
RESID 787 (Q):       0.826       0.042       -----       0.485      -0.462      -0.209
RESID 788 (G):       6.054       -----       -----       1.353       -----       1.011
RESID 789 (E):      -1.373      -0.110       -----      -0.146      -0.237      -0.196
RESID 790 (A):       0.706       0.107       -----      -0.415      -0.457       0.351
RESID 791 (E):       3.850       0.541       -----      -0.224      -0.425       0.581
RESID 792 (F):      -1.674      -0.191       -----       0.647       0.093      -0.058
RESID 793 (A):      -1.834       0.552       -----       0.505      -0.196       0.044
RESID 794 (R):       1.716      -0.095       -----       0.390      -0.113       0.480
RESID 795 (I):       0.937      -0.334       -----       0.511      -0.134      -0.150
RESID 796 (M):       0.752       0.209       -----      -2.049      -1.909       0.429
RESID 797 (S):       1.352      -0.199       -----       1.410      -0.554       0.234
RESID 798 (I):       4.555      -0.355       -----       0.900      -0.197      -0.326
RESID 799 (V):      -2.017       0.175       -----       1.416       1.076      -0.142
RESID 800 (D):      -0.573       0.178       -----       1.530      -0.874       0.580
RESID 801 (P):       -----      -0.105       -----       0.861      -0.288       -----
RESID 802 (N):      -0.776      -0.023       -----       0.031      -1.975       1.206
RESID 803 (R):       0.749      -0.316       -----      -0.113      -1.190       0.098
RESID 804 (L):       6.034      -0.471       -----       1.686       0.784       2.735
RESID 805 (G):       2.861       -----       -----      -0.574       -----       1.971
RESID 806 (V):      -4.907       0.308       -----      -1.526       1.450      -0.213
RESID 807 (V):       0.484      -0.083       -----       1.035       1.275       0.181
RESID 808 (T):       0.044      -0.014       -----       2.113      -0.215       0.462
RESID 809 (F):       2.697      -0.819       -----       0.603       0.583       1.318
RESID 810 (Q):       0.478      -0.611       -----       0.860      -0.411       0.724
RESID 811 (A):      -0.570      -0.118       -----       1.249       0.163      -0.050
RESID 812 (F):       0.944      -0.389       -----      -0.348       0.991       0.073
RESID 813 (I):      -0.826      -0.827       -----       0.982      -0.262       0.380
RESID 814 (D):       3.085      -0.159       -----      -0.179      -0.644       0.318
RESID 815 (F):       1.051      -0.295       -----       0.466       0.033       0.032
RESID 816 (M):      -1.505      -0.263       -----      -1.750      -1.701       0.320
RESID 817 (S):       2.172      -0.169       -----       0.380      -0.280      -0.260
RESID 818 (R):       0.149      -0.003       -----       0.363       0.750      -0.531
RESID 819 (E):       1.935       0.034       -----      -1.337       1.301       0.479
RESID 820 (T):       1.139       0.382       -----      -0.721       0.973       0.397
RESID 821 (A):       2.907      -0.167       -----       2.426      -1.727       0.945
RESID 822 (D):       0.234      -0.077       -----       0.209      -0.916      -0.075
RESID 823 (T):       1.176      -0.299       -----       0.999      -2.733      -0.299
RESID 824 (D):       0.011       0.082       -----      -2.429       0.266      -0.547
RESID 825 (T):       3.241      -0.167       -----      -0.810       0.983      -0.241
RESID 826 (A):       0.543       0.095       -----      -0.282       0.214       0.805
RESID 827 (D):       0.176       0.045       -----      -0.916      -0.398       0.268
RESID 828 (Q):       2.830      -0.038       -----      -0.327      -0.424       0.234
RESID 829 (V):      -0.037      -0.241       -----       0.619      -0.157       0.782
RESID 830 (M):       1.943       0.807       -----       0.884       0.534       0.043
RESID 831 (A):      -1.657       0.089       -----       0.252       0.090       0.435
RESID 832 (S):      -1.092       0.075       -----      -0.300      -0.283       0.150
RESID 833 (F):       1.211      -0.425       -----       0.910       0.372       0.302
RESID 834 (K):      -1.694       0.078       -----       0.850       0.364       0.139
RESID 835 (I):      -0.997       0.004       -----      -0.825      -0.030       0.170
RESID 836 (L):       2.282       0.113       -----       0.069       0.346      -0.187
RESID 837 (A):       0.511       0.011       -----      -0.633       0.271       0.356
RESID 838 (G):       0.679       -----       -----      -0.007       -----      -0.703
RESID 839 (D):      -2.041      -0.224       -----       0.409      -1.296       0.656
RESID 840 (K):      -3.334      -0.073       -----      -0.117       0.703       0.116
RESID 841 (N):       1.183      -0.031       -----      -0.101      -0.070      -0.194
RESID 842 (Y):      -1.792       0.205       -----      -1.242       0.135      -0.610
RESID 843 (I):      -6.487       0.327       -----       0.657       0.219      -0.648
RESID 844 (T):      -1.266       0.155       -----      -0.462       0.487      -0.003
RESID 845 (M):      -0.627      -0.134       -----      -0.027       0.750      -0.173
RESID 846 (D):      -1.284      -0.136       -----       0.986       0.541      -0.239
RESID 847 (E):       2.180      -0.280       -----       1.042      -0.308       0.351
RESID 848 (L):      -0.859      -0.089       -----       1.165       0.631       0.473
RESID 849 (R):      -1.384      -0.458       -----       1.617       0.656       0.451
RESID 850 (R):       0.017      -0.204       -----       0.678       0.097       0.342
RESID 851 (E):      -3.896      -0.046       -----      -0.379       0.590      -0.242
RESID 852 (L):      -2.477      -0.206       -----       0.647       0.524       0.095
RESID 853 (P):       -----      -0.124       -----       0.567       1.366       -----
RESID 854 (P):       -----      -0.328       -----       3.788      -0.768       -----
RESID 855 (D):      -4.177      -0.161       -----      -0.456      -1.621       0.605
RESID 856 (Q):       2.456      -0.131       -----      -1.300       0.844      -1.132
RESID 857 (A):       0.511      -0.106       -----       0.282      -0.259       0.900
RESID 858 (E):      -4.282      -0.051       -----       0.115      -0.567       0.209
RESID 859 (Y):      -2.214      -0.166       -----      -0.080       0.547      -0.907
RESID 860 (C):      -2.053       0.754       -----       0.280       0.353       0.052
RESID 861 (I):       0.136      -0.217       -----       0.216       0.850       0.673
RESID 862 (A):      -3.391       0.132       -----      -1.640       0.005      -0.940
RESID 863 (R):       1.120      -0.144       -----       0.006       0.541      -0.142
RESID 864 (M):      -1.587       0.169       -----      -1.512       3.222      -0.417
RESID 865 (A):       0.141      -0.827       -----      -0.348       0.131       0.463
RESID 866 (P):       -----      -0.005       -----      -0.140       1.635       -----
RESID 867 (Y):      -3.980       0.178       -----      -0.278       0.709      -0.051
RESID 868 (T):       -----      -0.118       -----      -0.338      -2.340       -----
RESID 869 (G):       -----       -----       -----       0.181       -----       -----
RESID 870 (P):       -----      -0.099       -----       0.430      -0.507       -----
RESID 871 (D):      -1.147      -0.251       -----      -0.418      -2.095       0.929
RESID 872 (S):      -1.846      -0.900       -----       1.275      -0.864       0.249
RESID 873 (V):      -0.822       0.138       -----       0.270       0.053      -1.659
RESID 874 (P):       -----      -0.173       -----       0.976      -0.575       -----
RESID 875 (G):       1.944       -----       -----       0.460       -----       0.235
RESID 876 (A):      -2.224      -1.469       -----       2.441      -1.223       0.081
RESID 877 (L):       4.183      -0.450       -----       0.567      -2.296       0.244
RESID 878 (D):      -1.679       0.354       -----      -0.308      -0.494       0.949
RESID 879 (Y):       2.734       0.183       -----      -0.672      -0.514      -0.587
RESID 880 (M):       7.108      -0.301       -----      -0.542      -3.305      -0.003
RESID 881 (S):      -1.494      -0.150       -----       1.727       0.657      -0.062
RESID 882 (F):       2.466       0.363       -----       1.438       1.013      -0.079
RESID 883 (S):       4.333      -0.296       -----       0.288      -1.548      -1.169
RESID 884 (T):      -1.302      -0.486       -----       0.527       0.390      -0.395
RESID 885 (A):       2.144      -0.013       -----      -0.355       0.022      -0.228
RESID 886 (L):       3.268       0.258       -----      -0.139       1.068       0.660
RESID 887 (Y):       7.013       0.056       -----       0.039       2.459      -0.435
RESID 888 (G):       5.248       -----       -----       0.709       -----       0.044
RESID 889 (E):       1.039       0.006       -----      -1.407       0.241       0.173
RESID 890 (S):       4.100      -0.280       -----       0.863      -1.978       0.547
RESID 891 (D):       2.210      -0.554       -----       1.019      -0.878       0.268

DATA CS_STAT_INFO  N  RMS:   2.738 ppm Count: 139 Average Difference: -0.545 +/- 2.693 ppm
DATA CS_STAT_INFO  HA RMS:   0.347 ppm Count: 160 Average Difference:  0.042 +/- 0.345 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   1.162 ppm Count: 150 Average Difference: -0.240 +/- 1.141 ppm
DATA CS_STAT_INFO  CB RMS:   1.088 ppm Count: 140 Average Difference:  0.163 +/- 1.079 ppm
DATA CS_STAT_INFO  HN RMS:   0.632 ppm Count: 139 Average Difference: -0.188 +/- 0.606 ppm


############################################################################
For conformer 13:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 742 (S):       HA         4.525         4.525         4.586        -0.061
RESID 742 (S):       CA        58.148        58.148        57.758         0.390
RESID 742 (S):       CB        63.791        63.791        64.643        -0.852
RESID 743 (I):        N       122.172       122.172       126.170        -3.998
RESID 743 (I):       HA         4.362         4.362         4.214         0.148
RESID 743 (I):       CA        60.421        60.421        61.537        -1.116
RESID 743 (I):       CB        39.166        39.166        39.251        -0.085
RESID 743 (I):        H         8.132         8.132         8.318        -0.186
RESID 744 (S):        N       123.144       123.144       120.409         2.735
RESID 744 (S):       HA         4.449         4.449         4.598        -0.149
RESID 744 (S):       CA        57.463        57.463        56.830         0.633
RESID 744 (S):       CB        65.219        65.219        64.629         0.590
RESID 744 (S):        H         8.848         8.848         8.412         0.436
RESID 745 (Q):        N       121.619       121.619       122.704        -1.085
RESID 745 (Q):       HA         3.952         3.952         4.124        -0.172
RESID 745 (Q):       CA        58.768        58.768        59.146        -0.378
RESID 745 (Q):       CB        28.512        28.512        28.866        -0.354
RESID 745 (Q):        H         9.042         9.042         9.006         0.036
RESID 746 (E):        N       118.648       118.648       119.690        -1.042
RESID 746 (E):       HA         4.004         4.004         4.128        -0.124
RESID 746 (E):       CA        60.223        60.223        59.600         0.623
RESID 746 (E):       CB        28.854        28.854        28.994        -0.140
RESID 746 (E):        H         8.721         8.721         7.664         1.057
RESID 747 (Q):        N       120.463       120.463       119.767         0.696
RESID 747 (Q):       HA         3.766         3.766         4.362        -0.596
RESID 747 (Q):       CA        58.306        58.306        58.833        -0.527
RESID 747 (Q):       CB        28.948        28.948        28.130         0.818
RESID 747 (Q):        H         7.838         7.838         8.475        -0.637
RESID 748 (M):        N       119.252       119.252       115.959         3.293
RESID 748 (M):       HA         4.200         4.200         4.473        -0.273
RESID 748 (M):       CA        58.096        58.096        59.031        -0.935
RESID 748 (M):       CB        30.900        30.900        32.391        -1.491
RESID 748 (M):        H         8.473         8.473         8.120         0.353
RESID 749 (N):        N       117.740       117.740       118.732        -0.992
RESID 749 (N):       HA         4.474         4.474         4.475        -0.001
RESID 749 (N):       CA        55.795        55.795        55.849        -0.054
RESID 749 (N):       CB        37.413        37.413        38.452        -1.039
RESID 749 (N):        H         8.334         8.334         7.586         0.748
RESID 750 (E):        N       122.848       122.848       119.196         3.652
RESID 750 (E):       HA         4.204         4.204         4.136         0.068
RESID 750 (E):       CA        59.341        59.341        58.436         0.905
RESID 750 (E):       CB        29.184        29.184        29.625        -0.441
RESID 750 (E):        H         7.838         7.838         8.484        -0.646
RESID 751 (F):        N       120.177       120.177       123.171        -2.994
RESID 751 (F):       HA         5.021         5.021         4.353         0.668
RESID 751 (F):       CA        58.353        58.353        59.930        -1.577
RESID 751 (F):       CB        37.797        37.797        39.420        -1.623
RESID 751 (F):        H         8.785         8.785         8.675         0.110
RESID 752 (R):        N       120.528       120.528       119.899         0.629
RESID 752 (R):       HA         4.160         4.160         3.940         0.220
RESID 752 (R):       CA        59.704        59.704        58.417         1.287
RESID 752 (R):       CB        29.968        29.968        28.712         1.256
RESID 752 (R):        H         9.016         9.016         8.183         0.833
RESID 753 (A):        N       121.112       121.112       122.367        -1.255
RESID 753 (A):       HA         4.245         4.245         4.511        -0.266
RESID 753 (A):       CA        55.331        55.331        54.434         0.897
RESID 753 (A):       CB        17.823        17.823        17.890        -0.067
RESID 753 (A):        H         8.100         8.100         7.715         0.385
RESID 754 (S):        N       115.589       115.589       115.259         0.330
RESID 754 (S):       HA         4.452         4.452         4.301         0.151
RESID 754 (S):       CA        62.675        62.675        59.887         2.788
RESID 754 (S):       CB        63.359        63.359        62.753         0.606
RESID 754 (S):        H         8.391         8.391         7.869         0.522
RESID 755 (F):        N       121.886       121.886       119.230         2.656
RESID 755 (F):       HA         3.642         3.642         4.096        -0.454
RESID 755 (F):       CA        61.964        61.964        59.189         2.775
RESID 755 (F):       CB        39.822        39.822        38.614         1.208
RESID 755 (F):        H         8.675         8.675         7.767         0.908
RESID 756 (N):        N       113.618       113.618       113.990        -0.372
RESID 756 (N):       HA         4.427         4.427         4.364         0.063
RESID 756 (N):       CA        55.611        55.611        53.008         2.603
RESID 756 (N):       CB        37.838        37.838        38.785        -0.947
RESID 756 (N):        H         8.593         8.593         7.697         0.896
RESID 757 (H):        N       119.679       119.679       120.212        -0.533
RESID 757 (H):       HA         4.079         4.079         4.250        -0.171
RESID 757 (H):       CA        59.344        59.344        58.832         0.512
RESID 757 (H):       CB        29.889        29.889        30.261        -0.371
RESID 757 (H):        H         8.139         8.139         7.518         0.621
RESID 758 (F):        N       113.051       113.051       116.222        -3.171
RESID 758 (F):       HA         4.061         4.061         4.377        -0.316
RESID 758 (F):       CA        60.697        60.697        58.376         2.321
RESID 758 (F):       CB        38.735        38.735        40.506        -1.771
RESID 758 (F):        H         7.585         7.585         7.500         0.085
RESID 759 (D):        N       120.916       120.916       121.027        -0.111
RESID 759 (D):       HA         4.509         4.509         4.507         0.002
RESID 759 (D):       CA        52.171        52.171        54.953        -2.782
RESID 759 (D):       CB        38.009        38.009        40.383        -2.374
RESID 759 (D):        H         7.423         7.423         7.867        -0.444
RESID 760 (R):        N       124.819       124.819       126.582        -1.763
RESID 760 (R):       HA         3.768         3.768         4.072        -0.304
RESID 760 (R):       CA        58.275        58.275        58.667        -0.392
RESID 760 (R):       CB        30.249        30.249        30.651        -0.402
RESID 760 (R):        H         7.781         7.781         8.480        -0.699
RESID 761 (D):        N       113.673       113.673       114.522        -0.849
RESID 761 (D):       HA         4.483         4.483         4.670        -0.187
RESID 761 (D):       CA        51.977        51.977        53.357        -1.380
RESID 761 (D):       CB        39.522        39.522        42.102        -2.580
RESID 761 (D):        H         7.821         7.821         7.914        -0.093
RESID 762 (H):        N       114.966       114.966       118.231        -3.265
RESID 762 (H):       HA         4.161         4.161         4.284        -0.123
RESID 762 (H):       CA        56.618        56.618        57.015        -0.397
RESID 762 (H):       CB        26.380        26.380        28.660        -2.280
RESID 762 (H):        H         7.744         7.744         7.995        -0.251
RESID 763 (S):        N       115.077       115.077       114.112         0.965
RESID 763 (S):       HA         4.336         4.336         4.348        -0.012
RESID 763 (S):       CA        59.860        59.860        59.514         0.346
RESID 763 (S):       CB        65.192        65.192        64.349         0.843
RESID 763 (S):        H         8.726         8.726         8.045         0.681
RESID 764 (G):        N       116.915       116.915       111.316         5.599
RESID 764 (G):       CA        45.449        45.449        45.453        -0.004
RESID 764 (G):        H        11.017        11.017         8.824         2.193
RESID 765 (T):        N       107.334       107.334       109.836        -2.502
RESID 765 (T):       HA         4.829         4.829         5.096        -0.267
RESID 765 (T):       CA        58.759        58.759        60.072        -1.313
RESID 765 (T):       CB        73.383        73.383        72.172         1.211
RESID 765 (T):        H         7.693         7.693         7.899        -0.206
RESID 766 (L):        N       124.664       124.664       124.444         0.220
RESID 766 (L):       HA         4.900         4.900         4.847         0.053
RESID 766 (L):       CA        52.339        52.339        53.980        -1.641
RESID 766 (L):       CB        42.339        42.339        43.090        -0.751
RESID 766 (L):        H         9.209         9.209         8.551         0.658
RESID 767 (G):        N       112.024       112.024       111.718         0.306
RESID 767 (G):       CA        44.123        44.123        43.816         0.307
RESID 767 (G):        H         8.910         8.910         9.088        -0.178
RESID 768 (P):       HA         4.318         4.318         4.543        -0.225
RESID 768 (P):       CA        67.127        67.127        66.149         0.978
RESID 768 (P):       CB        32.029        32.029        32.101        -0.072
RESID 769 (E):        N       115.246       115.246       118.405        -3.159
RESID 769 (E):       HA         3.971         3.971         4.086        -0.115
RESID 769 (E):       CA        59.621        59.621        58.905         0.716
RESID 769 (E):       CB        28.628        28.628        28.760        -0.132
RESID 769 (E):        H         8.622         8.622         8.933        -0.311
RESID 770 (E):        N       121.127       121.127       118.550         2.577
RESID 770 (E):       HA         4.272         4.272         4.255         0.017
RESID 770 (E):       CA        58.497        58.497        58.312         0.185
RESID 770 (E):       CB        31.372        31.372        30.029         1.343
RESID 770 (E):        H         7.493         7.493         7.868        -0.375
RESID 771 (F):        N       117.688       117.688       122.190        -4.502
RESID 771 (F):       HA         4.355         4.355         4.284         0.071
RESID 771 (F):       CA        58.625        58.625        60.534        -1.909
RESID 771 (F):       CB        38.810        38.810        39.474        -0.664
RESID 771 (F):        H         9.110         9.110         8.997         0.113
RESID 772 (K):        N       119.789       119.789       118.585         1.204
RESID 772 (K):       HA         3.313         3.313         3.750        -0.437
RESID 772 (K):       CA        60.672        60.672        58.276         2.396
RESID 772 (K):       CB        31.979        31.979        30.981         0.998
RESID 772 (K):        H         8.594         8.594         8.063         0.531
RESID 773 (A):        N       118.461       118.461       120.704        -2.243
RESID 773 (A):       HA         3.881         3.881         4.022        -0.141
RESID 773 (A):       CA        55.013        55.013        53.776         1.237
RESID 773 (A):       CB        17.629        17.629        18.864        -1.235
RESID 773 (A):        H         7.231         7.231         7.472        -0.241
RESID 774 (C):        N       120.913       120.913       119.366         1.547
RESID 774 (C):       HA         2.435         2.435         2.425         0.010
RESID 774 (C):       CA        61.174        61.174        61.562        -0.388
RESID 774 (C):       CB        26.215        26.215        27.118        -0.903
RESID 774 (C):        H         7.498         7.498         7.721        -0.223
RESID 775 (L):        N       119.201       119.201       118.619         0.582
RESID 775 (L):       HA         3.766         3.766         3.549         0.217
RESID 775 (L):       CA        57.932        57.932        56.570         1.362
RESID 775 (L):       CB        40.950        40.950        41.116        -0.166
RESID 775 (L):        H         8.372         8.372         7.506         0.866
RESID 776 (I):        N       121.051       121.051       118.500         2.551
RESID 776 (I):       HA         4.090         4.090         2.493         1.597
RESID 776 (I):       CA        65.244        65.244        64.271         0.973
RESID 776 (I):       CB        37.991        37.991        37.189         0.802
RESID 776 (I):        H         8.358         8.358         6.718         1.640
RESID 777 (S):        N       119.109       119.109       114.340         4.769
RESID 777 (S):       HA         4.291         4.291         4.237         0.054
RESID 777 (S):       CA        61.725        61.725        60.664         1.061
RESID 777 (S):       CB        62.995        62.995        63.049        -0.054
RESID 777 (S):        H         7.822         7.822         7.510         0.312
RESID 778 (L):        N       121.208       121.208       117.281         3.927
RESID 778 (L):       HA         4.506         4.506         4.406         0.100
RESID 778 (L):       CA        54.999        54.999        53.731         1.268
RESID 778 (L):       CB        42.670        42.670        42.117         0.553
RESID 778 (L):        H         7.671         7.671         7.062         0.609
RESID 779 (G):        N       106.232       106.232       106.854        -0.622
RESID 779 (G):       CA        45.287        45.287        45.291        -0.004
RESID 779 (G):        H         7.897         7.897         7.261         0.636
RESID 780 (Y):        N       120.772       120.772       117.417         3.355
RESID 780 (Y):       HA         4.142         4.142         4.675        -0.533
RESID 780 (Y):       CA        59.231        59.231        55.386         3.845
RESID 780 (Y):       CB        38.341        38.341        38.583        -0.242
RESID 780 (Y):        H         8.072         8.072         7.483         0.589
RESID 781 (D):        N       124.304       124.304       117.635         6.669
RESID 781 (D):       HA         4.665         4.665         4.726        -0.061
RESID 781 (D):       CA        53.148        53.148        53.494        -0.346
RESID 781 (D):       CB        39.804        39.804        40.613        -0.809
RESID 781 (D):        H         8.862         8.862         9.041        -0.179
RESID 782 (I):        N       122.271       122.271       112.621         9.650
RESID 782 (I):       HA         4.341         4.341         4.427        -0.086
RESID 782 (I):       CA        58.992        58.992        59.089        -0.097
RESID 782 (I):       CB        37.907        37.907        40.720        -2.813
RESID 782 (I):        H         7.344         7.344         6.955         0.389
RESID 783 (G):        N       112.322       112.322       106.690         5.632
RESID 783 (G):       CA        44.523        44.523        44.742        -0.219
RESID 783 (G):        H         8.122         8.122         8.160        -0.038
RESID 784 (N):        N       118.727       118.727       120.151        -1.424
RESID 784 (N):       HA         4.882         4.882         4.863         0.019
RESID 784 (N):       CA        52.098        52.098        53.098        -1.000
RESID 784 (N):       CB        37.424        37.424        38.317        -0.893
RESID 784 (N):        H         8.452         8.452         8.655        -0.203
RESID 785 (D):        N       119.826       119.826       120.145        -0.319
RESID 785 (D):       HA         4.778         4.778         5.034        -0.256
RESID 785 (D):       CA        52.164        52.164        51.601         0.563
RESID 785 (D):       CB        39.657        39.657        42.823        -3.166
RESID 785 (D):        H         8.145         8.145         7.805         0.340
RESID 786 (P):       HA         4.271         4.271         4.315        -0.044
RESID 786 (P):       CA        66.265        66.265        65.358         0.907
RESID 786 (P):       CB        32.011        32.011        32.234        -0.223
RESID 787 (Q):        N       118.097       118.097       118.091         0.006
RESID 787 (Q):       HA         4.141         4.141         4.342        -0.201
RESID 787 (Q):       CA        59.115        59.115        57.732         1.383
RESID 787 (Q):       CB        27.732        27.732        28.715        -0.983
RESID 787 (Q):        H         8.409         8.409         8.409         0.000
RESID 788 (G):        N       113.421       113.421       108.681         4.740
RESID 788 (G):       CA        47.317        47.317        46.570         0.747
RESID 788 (G):        H         8.644         8.644         8.387         0.257
RESID 789 (E):        N       121.223       121.223       121.950        -0.727
RESID 789 (E):       HA         4.148         4.148         4.165        -0.017
RESID 789 (E):       CA        59.344        59.344        58.995         0.349
RESID 789 (E):       CB        29.435        29.435        29.683        -0.249
RESID 789 (E):        H         8.514         8.514         8.607        -0.093
RESID 790 (A):        N       122.879       122.879       122.441         0.438
RESID 790 (A):       HA         4.247         4.247         4.212         0.035
RESID 790 (A):       CA        54.907        54.907        55.080        -0.172
RESID 790 (A):       CB        17.780        17.780        18.372        -0.592
RESID 790 (A):        H         8.024         8.024         7.589         0.435
RESID 791 (E):        N       122.622       122.622       118.935         3.687
RESID 791 (E):       HA         4.687         4.687         4.105         0.582
RESID 791 (E):       CA        58.134        58.134        58.571        -0.437
RESID 791 (E):       CB        29.061        29.061        29.476        -0.415
RESID 791 (E):        H         8.280         8.280         7.722         0.558
RESID 792 (F):        N       119.949       119.949       121.573        -1.624
RESID 792 (F):       HA         4.038         4.038         4.165        -0.127
RESID 792 (F):       CA        61.812        61.812        61.463         0.349
RESID 792 (F):       CB        38.598        38.598        38.595         0.003
RESID 792 (F):        H         8.722         8.722         8.777        -0.055
RESID 793 (A):        N       119.652       119.652       120.870        -1.218
RESID 793 (A):       HA         3.854         3.854         3.365         0.489
RESID 793 (A):       CA        54.902        54.902        54.309         0.593
RESID 793 (A):       CB        17.628        17.628        17.983        -0.355
RESID 793 (A):        H         8.163         8.163         7.778         0.385
RESID 794 (R):        N       121.092       121.092       119.211         1.881
RESID 794 (R):       HA         3.910         3.910         4.026        -0.116
RESID 794 (R):       CA        59.471        59.471        58.986         0.485
RESID 794 (R):       CB        30.092        30.092        30.260        -0.168
RESID 794 (R):        H         8.034         8.034         7.585         0.449
RESID 795 (I):        N       121.394       121.394       119.172         2.222
RESID 795 (I):       HA         3.388         3.388         3.879        -0.491
RESID 795 (I):       CA        65.848        65.848        64.558         1.290
RESID 795 (I):       CB        38.209        38.209        38.496        -0.287
RESID 795 (I):        H         8.049         8.049         7.881         0.168
RESID 796 (M):        N       119.012       119.012       118.549         0.463
RESID 796 (M):       HA         4.155         4.155         3.855         0.300
RESID 796 (M):       CA        56.470        56.470        58.325        -1.855
RESID 796 (M):       CB        29.892        29.892        31.754        -1.862
RESID 796 (M):        H         8.589         8.589         8.071         0.518
RESID 797 (S):        N       114.132       114.132       112.603         1.529
RESID 797 (S):       HA         4.097         4.097         4.252        -0.155
RESID 797 (S):       CA        61.231        61.231        59.648         1.583
RESID 797 (S):       CB        62.895        62.895        63.625        -0.730
RESID 797 (S):        H         7.732         7.732         7.521         0.211
RESID 798 (I):        N       120.873       120.873       116.693         4.180
RESID 798 (I):       HA         3.818         3.818         4.133        -0.315
RESID 798 (I):       CA        63.875        63.875        63.377         0.498
RESID 798 (I):       CB        38.863        38.863        38.432         0.430
RESID 798 (I):        H         7.352         7.352         7.940        -0.588
RESID 799 (V):        N       110.552       110.552       119.350        -8.798
RESID 799 (V):       HA         4.243         4.243         3.840         0.403
RESID 799 (V):       CA        62.616        62.616        62.168         0.448
RESID 799 (V):       CB        32.416        32.416        31.903         0.513
RESID 799 (V):        H         7.648         7.648         7.402         0.246
RESID 800 (D):        N       119.435       119.435       117.616         1.819
RESID 800 (D):       HA         5.225         5.225         5.080         0.145
RESID 800 (D):       CA        51.715        51.715        49.961         1.754
RESID 800 (D):       CB        41.086        41.086        41.010         0.076
RESID 800 (D):        H         8.074         8.074         7.481         0.593
RESID 801 (P):       HA         4.331         4.331         4.424        -0.093
RESID 801 (P):       CA        64.819        64.819        63.747         1.072
RESID 801 (P):       CB        31.689        31.689        32.022        -0.333
RESID 802 (N):        N       115.164       115.164       116.584        -1.420
RESID 802 (N):       HA         4.760         4.760         4.705         0.055
RESID 802 (N):       CA        52.998        52.998        52.768         0.230
RESID 802 (N):       CB        37.952        37.952        39.686        -1.734
RESID 802 (N):        H         8.949         8.949         7.643         1.306
RESID 803 (R):        N       117.446       117.446       115.931         1.515
RESID 803 (R):       HA         3.830         3.830         4.217        -0.387
RESID 803 (R):       CA        56.888        56.888        56.858         0.029
RESID 803 (R):       CB        26.354        26.354        27.078        -0.724
RESID 803 (R):        H         7.958         7.958         7.874         0.084
RESID 804 (L):        N       123.307       123.307       116.819         6.488
RESID 804 (L):       HA         4.156         4.156         4.681        -0.525
RESID 804 (L):       CA        56.373        56.373        54.422         1.951
RESID 804 (L):       CB        42.930        42.930        41.641         1.289
RESID 804 (L):        H        10.591        10.591         8.113         2.478
RESID 805 (G):        N       110.516       110.516       107.440         3.076
RESID 805 (G):       CA        44.944        44.944        45.753        -0.809
RESID 805 (G):        H        11.001        11.001         8.526         2.475
RESID 806 (V):        N       109.840       109.840       115.711        -5.871
RESID 806 (V):       HA         4.571         4.571         4.351         0.220
RESID 806 (V):       CA        58.566        58.566        60.206        -1.640
RESID 806 (V):       CB        36.853        36.853        34.974         1.879
RESID 806 (V):        H         6.831         6.831         7.071        -0.240
RESID 807 (V):        N       122.184       122.184       122.499        -0.315
RESID 807 (V):       HA         4.167         4.167         4.506        -0.339
RESID 807 (V):       CA        61.644        61.644        60.879         0.765
RESID 807 (V):       CB        32.383        32.383        31.893         0.490
RESID 807 (V):        H         9.007         9.007         8.811         0.196
RESID 808 (T):        N       117.391       117.391       118.568        -1.177
RESID 808 (T):       HA         4.593         4.593         4.587         0.006
RESID 808 (T):       CA        60.615        60.615        58.689         1.926
RESID 808 (T):       CB        70.695        70.695        71.320        -0.625
RESID 808 (T):        H         7.925         7.925         7.487         0.438
RESID 809 (F):        N       122.236       122.236       119.192         3.044
RESID 809 (F):       HA         3.640         3.640         4.681        -1.041
RESID 809 (F):       CA        61.749        61.749        60.702         1.047
RESID 809 (F):       CB        38.177        38.177        37.628         0.549
RESID 809 (F):        H         9.349         9.349         8.017         1.332
RESID 810 (Q):        N       116.788       116.788       116.348         0.440
RESID 810 (Q):       HA         3.598         3.598         4.249        -0.651
RESID 810 (Q):       CA        58.582        58.582        57.551         1.031
RESID 810 (Q):       CB        28.199        28.199        28.582        -0.383
RESID 810 (Q):        H         8.572         8.572         7.755         0.817
RESID 811 (A):        N       121.208       121.208       122.470        -1.262
RESID 811 (A):       HA         4.119         4.119         4.191        -0.072
RESID 811 (A):       CA        54.911        54.911        53.681         1.230
RESID 811 (A):       CB        19.265        19.265        19.156         0.109
RESID 811 (A):        H         7.667         7.667         7.427         0.240
RESID 812 (F):        N       119.805       119.805       118.115         1.690
RESID 812 (F):       HA         3.980         3.980         4.299        -0.319
RESID 812 (F):       CA        61.740        61.740        62.066        -0.326
RESID 812 (F):       CB        39.670        39.670        38.322         1.348
RESID 812 (F):        H         8.400         8.400         7.910         0.490
RESID 813 (I):        N       118.098       118.098       118.831        -0.733
RESID 813 (I):       HA         3.146         3.146         3.952        -0.806
RESID 813 (I):       CA        63.299        63.299        62.776         0.523
RESID 813 (I):       CB        36.202        36.202        36.371        -0.169
RESID 813 (I):        H         8.364         8.364         7.860         0.504
RESID 814 (D):        N       123.528       123.528       120.503         3.025
RESID 814 (D):       HA         4.196         4.196         4.317        -0.121
RESID 814 (D):       CA        57.680        57.680        57.886        -0.206
RESID 814 (D):       CB        40.236        40.236        40.762        -0.526
RESID 814 (D):        H         8.221         8.221         8.512        -0.291
RESID 815 (F):        N       120.584       120.584       120.269         0.315
RESID 815 (F):       HA         4.129         4.129         4.366        -0.237
RESID 815 (F):       CA        61.084        61.084        60.801         0.283
RESID 815 (F):       CB        39.698        39.698        39.530         0.168
RESID 815 (F):        H         7.887         7.887         7.797         0.090
RESID 816 (M):        N       116.960       116.960       118.330        -1.370
RESID 816 (M):       HA         3.782         3.782         4.053        -0.271
RESID 816 (M):       CA        55.662        55.662        57.099        -1.437
RESID 816 (M):       CB        30.033        30.033        31.575        -1.542
RESID 816 (M):        H         8.372         8.372         8.149         0.223
RESID 817 (S):        N       114.277       114.277       112.022         2.255
RESID 817 (S):       HA         4.194         4.194         4.383        -0.189
RESID 817 (S):       CA        60.521        60.521        60.248         0.272
RESID 817 (S):       CB        63.185        63.185        63.486        -0.301
RESID 817 (S):        H         8.074         8.074         8.376        -0.302
RESID 818 (R):        N       121.493       121.493       121.428         0.065
RESID 818 (R):       HA         4.124         4.124         4.085         0.039
RESID 818 (R):       CA        57.684        57.684        58.250        -0.566
RESID 818 (R):       CB        30.315        30.315        29.569         0.746
RESID 818 (R):        H         7.288         7.288         7.748        -0.460
RESID 819 (E):        N       119.737       119.737       118.392         1.345
RESID 819 (E):       HA         4.101         4.101         4.098         0.003
RESID 819 (E):       CA        57.066        57.066        58.472        -1.406
RESID 819 (E):       CB        30.491        30.491        29.203         1.288
RESID 819 (E):        H         8.045         8.045         7.580         0.465
RESID 820 (T):        N       112.128       112.128       109.782         2.346
RESID 820 (T):       HA         4.280         4.280         4.065         0.215
RESID 820 (T):       CA        62.055        62.055        62.676        -0.621
RESID 820 (T):       CB        69.828        69.828        68.981         0.847
RESID 820 (T):        H         7.760         7.760         7.289         0.471
RESID 821 (A):        N       126.098       126.098       124.480         1.618
RESID 821 (A):       HA         4.284         4.284         4.404        -0.120
RESID 821 (A):       CA        52.726        52.726        50.506         2.220
RESID 821 (A):       CB        19.304        19.304        20.807        -1.503
RESID 821 (A):        H         7.957         7.957         7.429         0.528
RESID 822 (D):        N       119.904       119.904       122.768        -2.864
RESID 822 (D):       HA         4.613         4.613         4.395         0.218
RESID 822 (D):       CA        54.335        54.335        54.844        -0.509
RESID 822 (D):       CB        41.032        41.032        41.392        -0.360
RESID 822 (D):        H         8.352         8.352         8.378        -0.026
RESID 823 (T):        N       114.142       114.142       119.543        -5.401
RESID 823 (T):       HA         4.278         4.278         4.492        -0.213
RESID 823 (T):       CA        62.117        62.117        61.224         0.893
RESID 823 (T):       CB        69.584        69.584        70.841        -1.257
RESID 823 (T):        H         8.079         8.079         7.980         0.099
RESID 824 (D):        N       123.261       123.261       122.906         0.355
RESID 824 (D):       HA         4.657         4.657         4.439         0.218
RESID 824 (D):       CA        54.786        54.786        57.172        -2.386
RESID 824 (D):       CB        41.085        41.085        41.129        -0.044
RESID 824 (D):        H         8.431         8.431         8.936        -0.505
RESID 825 (T):        N       114.932       114.932       113.691         1.241
RESID 825 (T):       HA         4.161         4.161         4.185        -0.024
RESID 825 (T):       CA        63.109        63.109        64.679        -1.570
RESID 825 (T):       CB        69.455        69.455        68.266         1.189
RESID 825 (T):        H         8.155         8.155         8.492        -0.337
RESID 826 (A):        N       124.961       124.961       124.267         0.694
RESID 826 (A):       HA         4.160         4.160         4.132         0.028
RESID 826 (A):       CA        54.392        54.392        54.307         0.084
RESID 826 (A):       CB        18.610        18.610        18.350         0.260
RESID 826 (A):        H         8.379         8.379         7.557         0.822
RESID 827 (D):        N       117.765       117.765       118.146        -0.381
RESID 827 (D):       HA         4.425         4.425         4.334         0.091
RESID 827 (D):       CA        56.051        56.051        57.320        -1.269
RESID 827 (D):       CB        40.559        40.559        40.979        -0.420
RESID 827 (D):        H         8.250         8.250         7.879         0.371
RESID 828 (Q):        N       120.523       120.523       118.357         2.166
RESID 828 (Q):       HA         4.091         4.091         4.111        -0.020
RESID 828 (Q):       CA        57.814        57.814        58.350        -0.536
RESID 828 (Q):       CB        28.549        28.549        28.647        -0.098
RESID 828 (Q):        H         8.076         8.076         7.647         0.429
RESID 829 (V):        N       120.970       120.970       120.433         0.537
RESID 829 (V):       HA         3.525         3.525         3.868        -0.343
RESID 829 (V):       CA        65.194        65.194        64.416         0.778
RESID 829 (V):       CB        31.541        31.541        31.542        -0.001
RESID 829 (V):        H         8.051         8.051         7.319         0.732
RESID 830 (M):        N       119.572       119.572       118.573         0.999
RESID 830 (M):       HA         4.006         4.006         3.912         0.094
RESID 830 (M):       CA        57.977        57.977        58.317        -0.340
RESID 830 (M):       CB        31.995        31.995        31.639         0.356
RESID 830 (M):        H         8.110         8.110         8.204        -0.094
RESID 831 (A):        N       121.059       121.059       120.919         0.140
RESID 831 (A):       HA         4.045         4.045         3.519         0.526
RESID 831 (A):       CA        54.501        54.501        54.336         0.165
RESID 831 (A):       CB        18.067        18.067        17.519         0.548
RESID 831 (A):        H         7.836         7.836         7.373         0.463
RESID 832 (S):        N       114.256       114.256       115.910        -1.654
RESID 832 (S):       HA         4.141         4.141         4.005         0.136
RESID 832 (S):       CA        60.845        60.845        61.305        -0.460
RESID 832 (S):       CB        62.613        62.613        62.898        -0.285
RESID 832 (S):        H         7.714         7.714         7.697         0.017
RESID 833 (F):        N       121.847       121.847       119.156         2.691
RESID 833 (F):       HA         3.823         3.823         4.277        -0.454
RESID 833 (F):       CA        58.627        58.627        57.548         1.079
RESID 833 (F):       CB        38.127        38.127        37.401         0.726
RESID 833 (F):        H         7.740         7.740         7.677         0.063
RESID 834 (K):        N       118.759       118.759       120.566        -1.807
RESID 834 (K):       HA         3.589         3.589         3.724        -0.135
RESID 834 (K):       CA        59.384        59.384        58.047         1.337
RESID 834 (K):       CB        32.143        32.143        32.010         0.133
RESID 834 (K):        H         7.843         7.843         7.982        -0.139
RESID 835 (I):        N       118.537       118.537       119.802        -1.265
RESID 835 (I):       HA         3.736         3.736         3.757        -0.021
RESID 835 (I):       CA        63.714        63.714        64.484        -0.770
RESID 835 (I):       CB        37.825        37.825        37.811         0.014
RESID 835 (I):        H         7.315         7.315         7.131         0.184
RESID 836 (L):        N       121.201       121.201       118.850         2.351
RESID 836 (L):       HA         3.955         3.955         3.915         0.040
RESID 836 (L):       CA        57.074        57.074        57.314        -0.240
RESID 836 (L):       CB        42.415        42.415        41.955         0.460
RESID 836 (L):        H         7.625         7.625         8.042        -0.417
RESID 837 (A):        N       119.184       119.184       118.414         0.770
RESID 837 (A):       HA         3.895         3.895         3.894         0.001
RESID 837 (A):       CA        53.301        53.301        53.779        -0.478
RESID 837 (A):       CB        19.338        19.338        19.060         0.278
RESID 837 (A):        H         8.099         8.099         7.431         0.668
RESID 838 (G):        N       107.030       107.030       106.744         0.286
RESID 838 (G):       CA        46.918        46.918        46.743         0.175
RESID 838 (G):        H         7.676         7.676         8.296        -0.620
RESID 839 (D):        N       122.291       122.291       124.073        -1.782
RESID 839 (D):       HA         4.477         4.477         4.839        -0.362
RESID 839 (D):       CA        54.511        54.511        53.212         1.298
RESID 839 (D):       CB        40.181        40.181        41.678        -1.497
RESID 839 (D):        H         8.704         8.704         8.038         0.666
RESID 840 (K):        N       117.582       117.582       120.141        -2.559
RESID 840 (K):       HA         4.301         4.301         4.466        -0.165
RESID 840 (K):       CA        55.780        55.780        55.853        -0.073
RESID 840 (K):       CB        33.710        33.710        33.400         0.310
RESID 840 (K):        H         7.583         7.583         7.479         0.104
RESID 841 (N):        N       116.678       116.678       117.300        -0.622
RESID 841 (N):       HA         4.611         4.611         4.614        -0.003
RESID 841 (N):       CA        53.466        53.466        53.865        -0.399
RESID 841 (N):       CB        39.155        39.155        38.980         0.175
RESID 841 (N):        H         8.693         8.693         8.902        -0.209
RESID 842 (Y):        N       112.236       112.236       114.143        -1.907
RESID 842 (Y):       HA         4.986         4.986         4.843         0.143
RESID 842 (Y):       CA        54.918        54.918        56.038        -1.120
RESID 842 (Y):       CB        40.595        40.595        40.531         0.064
RESID 842 (Y):        H         6.637         6.637         7.312        -0.675
RESID 843 (I):        N       115.475       115.475       121.354        -5.879
RESID 843 (I):       HA         4.792         4.792         4.540         0.252
RESID 843 (I):       CA        58.957        58.957        58.309         0.648
RESID 843 (I):       CB        43.009        43.009        42.936         0.073
RESID 843 (I):        H         8.630         8.630         9.232        -0.602
RESID 844 (T):        N       117.169       117.169       117.532        -0.363
RESID 844 (T):       HA         5.370         5.370         5.325         0.045
RESID 844 (T):       CA        60.177        60.177        60.319        -0.142
RESID 844 (T):       CB        71.088        71.088        70.919         0.169
RESID 844 (T):        H         9.330         9.330         9.303         0.027
RESID 845 (M):        N       119.860       119.860       120.481        -0.621
RESID 845 (M):       HA         3.824         3.824         4.064        -0.240
RESID 845 (M):       CA        60.321        60.321        60.389        -0.069
RESID 845 (M):       CB        33.030        33.030        32.289         0.741
RESID 845 (M):        H         8.556         8.556         8.813        -0.257
RESID 846 (D):        N       116.363       116.363       118.242        -1.879
RESID 846 (D):       HA         4.280         4.280         4.402        -0.122
RESID 846 (D):       CA        57.404        57.404        56.585         0.819
RESID 846 (D):       CB        40.584        40.584        40.618        -0.034
RESID 846 (D):        H         8.377         8.377         8.654        -0.277
RESID 847 (E):        N       120.577       120.577       118.147         2.430
RESID 847 (E):       HA         3.854         3.854         4.153        -0.299
RESID 847 (E):       CA        59.657        59.657        58.835         0.822
RESID 847 (E):       CB        29.660        29.660        30.024        -0.364
RESID 847 (E):        H         7.855         7.855         7.632         0.223
RESID 848 (L):        N       118.714       118.714       120.193        -1.479
RESID 848 (L):       HA         3.822         3.822         4.093        -0.271
RESID 848 (L):       CA        58.725        58.725        57.760         0.965
RESID 848 (L):       CB        42.457        42.457        42.040         0.417
RESID 848 (L):        H         7.849         7.849         7.566         0.283
RESID 849 (R):        N       113.972       113.972       115.286        -1.314
RESID 849 (R):       HA         3.924         3.924         4.513        -0.589
RESID 849 (R):       CA        58.595        58.595        57.144         1.451
RESID 849 (R):       CB        30.100        30.100        29.512         0.588
RESID 849 (R):        H         8.053         8.053         7.762         0.291
RESID 850 (R):        N       118.178       118.178       118.971        -0.793
RESID 850 (R):       HA         4.193         4.193         4.323        -0.130
RESID 850 (R):       CA        58.245        58.245        57.993         0.252
RESID 850 (R):       CB        31.120        31.120        31.084         0.036
RESID 850 (R):        H         7.743         7.743         7.517         0.226
RESID 851 (E):        N       115.518       115.518       117.914        -2.396
RESID 851 (E):       HA         4.350         4.350         4.242         0.108
RESID 851 (E):       CA        56.886        56.886        57.534        -0.648
RESID 851 (E):       CB        31.590        31.590        30.580         1.010
RESID 851 (E):        H         7.596         7.596         7.907        -0.311
RESID 852 (L):        N       119.148       119.148       121.901        -2.753
RESID 852 (L):       HA         4.894         4.894         5.242        -0.348
RESID 852 (L):       CA        52.174        52.174        50.717         1.457
RESID 852 (L):       CB        42.469        42.469        41.801         0.668
RESID 852 (L):        H         7.890         7.890         7.899        -0.009
RESID 853 (P):       HA         4.347         4.347         4.519        -0.172
RESID 853 (P):       CA        65.119        65.119        63.864         1.256
RESID 853 (P):       CB        31.631        31.631        30.581         1.050
RESID 854 (P):       HA         4.270         4.270         4.483        -0.213
RESID 854 (P):       CA        66.336        66.336        61.944         4.392
RESID 854 (P):       CB        32.256        32.256        33.181        -0.925
RESID 855 (D):        N       114.865       114.865       119.211        -4.346
RESID 855 (D):       HA         4.349         4.349         4.438        -0.089
RESID 855 (D):       CA        56.913        56.913        57.196        -0.283
RESID 855 (D):       CB        39.244        39.244        40.927        -1.683
RESID 855 (D):        H         8.801         8.801         8.230         0.571
RESID 856 (Q):        N       121.465       121.465       118.782         2.683
RESID 856 (Q):       HA         4.199         4.199         4.223        -0.024
RESID 856 (Q):       CA        58.317        58.317        59.538        -1.221
RESID 856 (Q):       CB        29.247        29.247        28.278         0.969
RESID 856 (Q):        H         7.472         7.472         8.664        -1.192
RESID 857 (A):        N       122.805       122.805       122.143         0.662
RESID 857 (A):       HA         3.799         3.799         3.957        -0.158
RESID 857 (A):       CA        56.303        56.303        56.015         0.288
RESID 857 (A):       CB        17.944        17.944        18.314        -0.370
RESID 857 (A):        H         8.882         8.882         8.073         0.809
RESID 858 (E):        N       114.094       114.094       119.238        -5.144
RESID 858 (E):       HA         4.024         4.024         4.022         0.002
RESID 858 (E):       CA        58.682        58.682        58.873        -0.191
RESID 858 (E):       CB        28.639        28.639        28.943        -0.304
RESID 858 (E):        H         8.155         8.155         7.910         0.245
RESID 859 (Y):        N       120.665       120.665       121.929        -1.264
RESID 859 (Y):       HA         4.084         4.084         4.174        -0.090
RESID 859 (Y):       CA        61.006        61.006        61.022        -0.016
RESID 859 (Y):       CB        38.687        38.687        38.108         0.579
RESID 859 (Y):        H         7.708         7.708         8.543        -0.835
RESID 860 (C):        N       115.812       115.812       117.431        -1.619
RESID 860 (C):       HA         4.158         4.158         3.439         0.719
RESID 860 (C):       CA        64.254        64.254        63.740         0.514
RESID 860 (C):       CB        27.304        27.304        27.115         0.189
RESID 860 (C):        H         8.113         8.113         7.516         0.597
RESID 861 (I):        N       120.078       120.078       119.688         0.390
RESID 861 (I):       HA         3.339         3.339         3.643        -0.304
RESID 861 (I):       CA        65.643        65.643        65.493         0.150
RESID 861 (I):       CB        38.714        38.714        37.793         0.921
RESID 861 (I):        H         8.453         8.453         8.062         0.391
RESID 862 (A):        N       116.691       116.691       122.788        -6.097
RESID 862 (A):       HA         4.209         4.209         4.043         0.166
RESID 862 (A):       CA        53.222        53.222        55.078        -1.856
RESID 862 (A):       CB        19.002        19.002        18.617         0.385
RESID 862 (A):        H         7.307         7.307         8.367        -1.060
RESID 863 (R):        N       117.226       117.226       115.357         1.869
RESID 863 (R):       HA         4.274         4.274         4.388        -0.114
RESID 863 (R):       CA        56.051        56.051        56.733        -0.683
RESID 863 (R):       CB        31.389        31.389        30.620         0.769
RESID 863 (R):        H         7.358         7.358         7.623        -0.265
RESID 864 (M):        N       117.583       117.583       118.392        -0.809
RESID 864 (M):       HA         4.561         4.561         4.337         0.224
RESID 864 (M):       CA        54.927        54.927        56.058        -1.131
RESID 864 (M):       CB        37.418        37.418        34.150         3.268
RESID 864 (M):        H         7.153         7.153         7.235        -0.082
RESID 865 (A):        N       124.643       124.643       126.555        -1.912
RESID 865 (A):       HA         3.866         3.866         4.632        -0.766
RESID 865 (A):       CA        49.194        49.194        50.001        -0.807
RESID 865 (A):       CB        18.647        18.647        18.537         0.110
RESID 865 (A):        H         8.557         8.557         8.206         0.351
RESID 866 (P):       HA         4.496         4.496         4.549        -0.053
RESID 866 (P):       CA        62.724        62.724        62.842        -0.118
RESID 866 (P):       CB        31.980        31.980        30.375         1.605
RESID 867 (Y):        N       122.461       122.461       126.100        -3.639
RESID 867 (Y):       HA         4.728         4.728         4.581         0.147
RESID 867 (Y):       CA        57.096        57.096        57.099        -0.003
RESID 867 (Y):       CB        39.175        39.175        38.566         0.608
RESID 867 (Y):        H         8.128         8.128         8.111         0.017
RESID 868 (T):       HA         4.351         4.351         4.613        -0.262
RESID 868 (T):       CA        60.271        60.271        60.179         0.091
RESID 868 (T):       CB        68.737        68.737        72.101        -3.364
RESID 869 (G):       CA        44.914        44.914        45.032        -0.118
RESID 870 (P):       HA         4.329         4.329         4.441        -0.112
RESID 870 (P):       CA        64.697        64.697        64.280         0.417
RESID 870 (P):       CB        31.579        31.579        31.936        -0.357
RESID 871 (D):        N       116.207       116.207       116.906        -0.699
RESID 871 (D):       HA         4.604         4.604         4.664        -0.060
RESID 871 (D):       CA        52.749        52.749        53.557        -0.808
RESID 871 (D):       CB        38.929        38.929        40.742        -1.813
RESID 871 (D):        H         9.267         9.267         8.241         1.026
RESID 872 (S):        N       112.349       112.349       113.694        -1.345
RESID 872 (S):       HA         3.497         3.497         4.585        -1.088
RESID 872 (S):       CA        59.065        59.065        56.532         2.533
RESID 872 (S):       CB        63.125        63.125        64.577        -1.452
RESID 872 (S):        H         7.487         7.487         7.319         0.168
RESID 873 (V):        N       113.567       113.567       113.258         0.309
RESID 873 (V):       HA         4.729         4.729         4.640         0.089
RESID 873 (V):       CA        58.044        58.044        57.846         0.198
RESID 873 (V):       CB        32.911        32.911        33.340        -0.430
RESID 873 (V):        H         6.411         6.411         8.250        -1.839
RESID 874 (P):       HA         4.296         4.296         4.461        -0.165
RESID 874 (P):       CA        64.335        64.335        63.696         0.639
RESID 874 (P):       CB        31.515        31.515        31.222         0.293
RESID 875 (G):        N       112.118       112.118       107.154         4.964
RESID 875 (G):       CA        45.557        45.557        44.703         0.854
RESID 875 (G):        H         8.800         8.800         7.866         0.934
RESID 876 (A):        N       120.262       120.262       124.032        -3.770
RESID 876 (A):       HA         4.100         4.100         5.736        -1.636
RESID 876 (A):       CA        53.073        53.073        50.197         2.877
RESID 876 (A):       CB        20.508        20.508        21.812        -1.304
RESID 876 (A):        H         7.762         7.762         7.680         0.082
RESID 877 (L):        N       125.695       125.695       121.175         4.520
RESID 877 (L):       HA         4.776         4.776         5.142        -0.366
RESID 877 (L):       CA        54.269        54.269        53.786         0.483
RESID 877 (L):       CB        44.799        44.799        47.190        -2.391
RESID 877 (L):        H         9.595         9.595         9.360         0.235
RESID 878 (D):        N       119.823       119.823       121.412        -1.589
RESID 878 (D):       HA         4.879         4.879         4.468         0.411
RESID 878 (D):       CA        51.997        51.997        52.201        -0.204
RESID 878 (D):       CB        40.781        40.781        41.276        -0.495
RESID 878 (D):        H         9.031         9.031         8.223         0.808
RESID 879 (Y):        N       126.556       126.556       124.319         2.237
RESID 879 (Y):       HA         4.591         4.591         3.775         0.816
RESID 879 (Y):       CA        59.396        59.396        59.548        -0.152
RESID 879 (Y):       CB        37.321        37.321        37.235         0.086
RESID 879 (Y):        H         7.456         7.456         7.828        -0.372
RESID 880 (M):        N       119.958       119.958       114.688         5.270
RESID 880 (M):       HA         4.605         4.605         4.683        -0.078
RESID 880 (M):       CA        56.044        56.044        57.200        -1.156
RESID 880 (M):       CB        30.101        30.101        33.164        -3.063
RESID 880 (M):        H         7.627         7.627         7.316         0.311
RESID 881 (S):        N       114.328       114.328       115.797        -1.469
RESID 881 (S):       HA         4.471         4.471         4.596        -0.125
RESID 881 (S):       CA        58.917        58.917        57.098         1.819
RESID 881 (S):       CB        64.447        64.447        63.692         0.755
RESID 881 (S):        H         7.726         7.726         8.001        -0.275
RESID 882 (F):        N       122.735       122.735       119.711         3.024
RESID 882 (F):       HA         4.722         4.722         4.338         0.384
RESID 882 (F):       CA        59.231        59.231        57.422         1.809
RESID 882 (F):       CB        40.285        40.285        38.954         1.331
RESID 882 (F):        H         7.385         7.385         7.305         0.080
RESID 883 (S):        N       120.156       120.156       116.795         3.361
RESID 883 (S):       HA         4.299         4.299         4.410        -0.111
RESID 883 (S):       CA        57.280        57.280        57.727        -0.447
RESID 883 (S):       CB        64.601        64.601        63.315         1.286
RESID 883 (S):        H         7.472         7.472         8.543        -1.071
RESID 884 (T):        N       110.683       110.683       122.522       -11.839
RESID 884 (T):       HA         3.966         3.966         4.167        -0.201
RESID 884 (T):       CA        63.465        63.465        63.872        -0.407
RESID 884 (T):       CB        68.899        68.899        68.490         0.409
RESID 884 (T):        H         7.996         7.996         8.523        -0.527
RESID 885 (A):        N       125.456       125.456       122.627         2.829
RESID 885 (A):       HA         4.236         4.236         4.324        -0.088
RESID 885 (A):       CA        52.030        52.030        51.698         0.332
RESID 885 (A):       CB        19.225        19.225        19.050         0.175
RESID 885 (A):        H         7.905         7.905         7.745         0.160
RESID 886 (L):        N       120.638       120.638       117.194         3.444
RESID 886 (L):       HA         4.002         4.002         3.864         0.138
RESID 886 (L):       CA        55.462        55.462        55.958        -0.496
RESID 886 (L):       CB        42.265        42.265        41.283         0.982
RESID 886 (L):        H         8.079         8.079         7.336         0.743
RESID 887 (Y):        N       121.526       121.526       117.535         3.991
RESID 887 (Y):       HA         4.356         4.356         4.623        -0.267
RESID 887 (Y):       CA        58.750        58.750        57.282         1.468
RESID 887 (Y):       CB        38.569        38.569        36.099         2.470
RESID 887 (Y):        H         8.267         8.267         7.851         0.416
RESID 888 (G):        N       112.379       112.379       109.418         2.961
RESID 888 (G):       CA        45.090        45.090        45.092        -0.002
RESID 888 (G):        H         8.087         8.087         7.983         0.104
RESID 889 (E):        N       120.255       120.255       121.678        -1.423
RESID 889 (E):       HA         4.256         4.256         4.487        -0.231
RESID 889 (E):       CA        56.445        56.445        56.681        -0.236
RESID 889 (E):       CB        30.393        30.393        30.148         0.245
RESID 889 (E):        H         7.994         7.994         8.048        -0.054
RESID 890 (S):        N       116.375       116.375       120.440        -4.065
RESID 890 (S):       HA         4.415         4.415         4.691        -0.276
RESID 890 (S):       CA        58.204        58.204        57.912         0.292
RESID 890 (S):       CB        63.913        63.913        64.745        -0.832
RESID 890 (S):        H         8.329         8.329         8.358        -0.029
RESID 891 (D):        N       123.017       123.017       121.241         1.776
RESID 891 (D):       HA         4.610         4.610         5.375        -0.765
RESID 891 (D):       CA        54.371        54.371        53.737         0.634
RESID 891 (D):       CB        41.013        41.013        42.712        -1.699
RESID 891 (D):        H         8.394         8.394         8.965        -0.571

                         N          HA           C          CA          CB           H
RESID 743 (I):      -3.998       0.148       -----      -1.116      -0.085      -0.186
RESID 744 (S):       2.735      -0.149       -----       0.633       0.590       0.436
RESID 745 (Q):      -1.085      -0.172       -----      -0.378      -0.354       0.036
RESID 746 (E):      -1.042      -0.124       -----       0.623      -0.140       1.057
RESID 747 (Q):       0.696      -0.596       -----      -0.527       0.818      -0.637
RESID 748 (M):       3.293      -0.273       -----      -0.935      -1.491       0.353
RESID 749 (N):      -0.992      -0.001       -----      -0.054      -1.039       0.748
RESID 750 (E):       3.652       0.068       -----       0.905      -0.441      -0.646
RESID 751 (F):      -2.994       0.668       -----      -1.577      -1.623       0.110
RESID 752 (R):       0.629       0.220       -----       1.287       1.256       0.833
RESID 753 (A):      -1.255      -0.266       -----       0.897      -0.067       0.385
RESID 754 (S):       0.330       0.151       -----       2.788       0.606       0.522
RESID 755 (F):       2.656      -0.454       -----       2.775       1.208       0.908
RESID 756 (N):      -0.372       0.063       -----       2.603      -0.947       0.896
RESID 757 (H):      -0.533      -0.171       -----       0.512      -0.371       0.621
RESID 758 (F):      -3.171      -0.316       -----       2.321      -1.771       0.085
RESID 759 (D):      -0.111       0.002       -----      -2.782      -2.374      -0.444
RESID 760 (R):      -1.763      -0.304       -----      -0.392      -0.402      -0.699
RESID 761 (D):      -0.849      -0.187       -----      -1.380      -2.580      -0.093
RESID 762 (H):      -3.265      -0.123       -----      -0.397      -2.280      -0.251
RESID 763 (S):       0.965      -0.012       -----       0.346       0.843       0.681
RESID 764 (G):       5.599       -----       -----      -0.004       -----       2.193
RESID 765 (T):      -2.502      -0.267       -----      -1.313       1.211      -0.206
RESID 766 (L):       0.220       0.053       -----      -1.641      -0.751       0.658
RESID 767 (G):       0.306       -----       -----       0.307       -----      -0.178
RESID 768 (P):       -----      -0.225       -----       0.978      -0.072       -----
RESID 769 (E):      -3.159      -0.115       -----       0.716      -0.132      -0.311
RESID 770 (E):       2.577       0.017       -----       0.185       1.343      -0.375
RESID 771 (F):      -4.502       0.071       -----      -1.909      -0.664       0.113
RESID 772 (K):       1.204      -0.437       -----       2.396       0.998       0.531
RESID 773 (A):      -2.243      -0.141       -----       1.237      -1.235      -0.241
RESID 774 (C):       1.547       0.010       -----      -0.388      -0.903      -0.223
RESID 775 (L):       0.582       0.217       -----       1.362      -0.166       0.866
RESID 776 (I):       2.551       1.597       -----       0.973       0.802       1.640
RESID 777 (S):       4.769       0.054       -----       1.061      -0.054       0.312
RESID 778 (L):       3.927       0.100       -----       1.268       0.553       0.609
RESID 779 (G):      -0.622       -----       -----      -0.004       -----       0.636
RESID 780 (Y):       3.355      -0.533       -----       3.845      -0.242       0.589
RESID 781 (D):       6.669      -0.061       -----      -0.346      -0.809      -0.179
RESID 782 (I):       9.650      -0.086       -----      -0.097      -2.813       0.389
RESID 783 (G):       5.632       -----       -----      -0.219       -----      -0.038
RESID 784 (N):      -1.424       0.019       -----      -1.000      -0.893      -0.203
RESID 785 (D):      -0.319      -0.256       -----       0.563      -3.166       0.340
RESID 786 (P):       -----      -0.044       -----       0.907      -0.223       -----
RESID 787 (Q):       0.006      -0.201       -----       1.383      -0.983       0.000
RESID 788 (G):       4.740       -----       -----       0.747       -----       0.257
RESID 789 (E):      -0.727      -0.017       -----       0.349      -0.249      -0.093
RESID 790 (A):       0.438       0.035       -----      -0.172      -0.592       0.435
RESID 791 (E):       3.687       0.582       -----      -0.437      -0.415       0.558
RESID 792 (F):      -1.624      -0.127       -----       0.349       0.003      -0.055
RESID 793 (A):      -1.218       0.489       -----       0.593      -0.355       0.385
RESID 794 (R):       1.881      -0.116       -----       0.485      -0.168       0.449
RESID 795 (I):       2.222      -0.491       -----       1.290      -0.287       0.168
RESID 796 (M):       0.463       0.300       -----      -1.855      -1.862       0.518
RESID 797 (S):       1.529      -0.155       -----       1.583      -0.730       0.211
RESID 798 (I):       4.180      -0.315       -----       0.498       0.430      -0.588
RESID 799 (V):      -8.798       0.403       -----       0.448       0.513       0.246
RESID 800 (D):       1.819       0.145       -----       1.754       0.076       0.593
RESID 801 (P):       -----      -0.093       -----       1.072      -0.333       -----
RESID 802 (N):      -1.420       0.055       -----       0.230      -1.734       1.306
RESID 803 (R):       1.515      -0.387       -----       0.029      -0.724       0.084
RESID 804 (L):       6.488      -0.525       -----       1.951       1.289       2.478
RESID 805 (G):       3.076       -----       -----      -0.809       -----       2.475
RESID 806 (V):      -5.871       0.220       -----      -1.640       1.879      -0.240
RESID 807 (V):      -0.315      -0.339       -----       0.765       0.490       0.196
RESID 808 (T):      -1.177       0.006       -----       1.926      -0.625       0.438
RESID 809 (F):       3.044      -1.041       -----       1.047       0.549       1.332
RESID 810 (Q):       0.440      -0.651       -----       1.031      -0.383       0.817
RESID 811 (A):      -1.262      -0.072       -----       1.230       0.109       0.240
RESID 812 (F):       1.690      -0.319       -----      -0.326       1.348       0.490
RESID 813 (I):      -0.733      -0.806       -----       0.523      -0.169       0.504
RESID 814 (D):       3.025      -0.121       -----      -0.206      -0.526      -0.291
RESID 815 (F):       0.315      -0.237       -----       0.283       0.168       0.090
RESID 816 (M):      -1.370      -0.271       -----      -1.437      -1.542       0.223
RESID 817 (S):       2.255      -0.189       -----       0.272      -0.301      -0.302
RESID 818 (R):       0.065       0.039       -----      -0.566       0.746      -0.460
RESID 819 (E):       1.345       0.003       -----      -1.406       1.288       0.465
RESID 820 (T):       2.346       0.215       -----      -0.621       0.847       0.471
RESID 821 (A):       1.618      -0.120       -----       2.220      -1.503       0.528
RESID 822 (D):      -2.864       0.218       -----      -0.509      -0.360      -0.026
RESID 823 (T):      -5.401      -0.213       -----       0.893      -1.257       0.099
RESID 824 (D):       0.355       0.218       -----      -2.386      -0.044      -0.505
RESID 825 (T):       1.241      -0.024       -----      -1.570       1.189      -0.337
RESID 826 (A):       0.694       0.028       -----       0.084       0.260       0.822
RESID 827 (D):      -0.381       0.091       -----      -1.269      -0.420       0.371
RESID 828 (Q):       2.166      -0.020       -----      -0.536      -0.098       0.429
RESID 829 (V):       0.537      -0.343       -----       0.778      -0.001       0.732
RESID 830 (M):       0.999       0.094       -----      -0.340       0.356      -0.094
RESID 831 (A):       0.140       0.526       -----       0.165       0.548       0.463
RESID 832 (S):      -1.654       0.136       -----      -0.460      -0.285       0.017
RESID 833 (F):       2.691      -0.454       -----       1.079       0.726       0.063
RESID 834 (K):      -1.807      -0.135       -----       1.337       0.133      -0.139
RESID 835 (I):      -1.265      -0.021       -----      -0.770       0.014       0.184
RESID 836 (L):       2.351       0.040       -----      -0.240       0.460      -0.417
RESID 837 (A):       0.770       0.001       -----      -0.478       0.278       0.668
RESID 838 (G):       0.286       -----       -----       0.175       -----      -0.620
RESID 839 (D):      -1.782      -0.362       -----       1.298      -1.497       0.666
RESID 840 (K):      -2.559      -0.165       -----      -0.073       0.310       0.104
RESID 841 (N):      -0.622      -0.003       -----      -0.399       0.175      -0.209
RESID 842 (Y):      -1.907       0.143       -----      -1.120       0.064      -0.675
RESID 843 (I):      -5.879       0.252       -----       0.648       0.073      -0.602
RESID 844 (T):      -0.363       0.045       -----      -0.142       0.169       0.027
RESID 845 (M):      -0.621      -0.240       -----      -0.069       0.741      -0.257
RESID 846 (D):      -1.879      -0.122       -----       0.819      -0.034      -0.277
RESID 847 (E):       2.430      -0.299       -----       0.822      -0.364       0.223
RESID 848 (L):      -1.479      -0.271       -----       0.965       0.417       0.283
RESID 849 (R):      -1.314      -0.589       -----       1.451       0.588       0.291
RESID 850 (R):      -0.793      -0.130       -----       0.252       0.036       0.226
RESID 851 (E):      -2.396       0.108       -----      -0.648       1.010      -0.311
RESID 852 (L):      -2.753      -0.348       -----       1.457       0.668      -0.009
RESID 853 (P):       -----      -0.172       -----       1.256       1.050       -----
RESID 854 (P):       -----      -0.213       -----       4.392      -0.925       -----
RESID 855 (D):      -4.346      -0.089       -----      -0.283      -1.683       0.571
RESID 856 (Q):       2.683      -0.024       -----      -1.221       0.969      -1.192
RESID 857 (A):       0.662      -0.158       -----       0.288      -0.370       0.809
RESID 858 (E):      -5.144       0.002       -----      -0.191      -0.304       0.245
RESID 859 (Y):      -1.264      -0.090       -----      -0.016       0.579      -0.835
RESID 860 (C):      -1.619       0.719       -----       0.514       0.189       0.597
RESID 861 (I):       0.390      -0.304       -----       0.150       0.921       0.391
RESID 862 (A):      -6.097       0.166       -----      -1.856       0.385      -1.060
RESID 863 (R):       1.869      -0.114       -----      -0.683       0.769      -0.265
RESID 864 (M):      -0.809       0.224       -----      -1.131       3.268      -0.082
RESID 865 (A):      -1.912      -0.766       -----      -0.807       0.110       0.351
RESID 866 (P):       -----      -0.053       -----      -0.118       1.605       -----
RESID 867 (Y):      -3.639       0.147       -----      -0.003       0.608       0.017
RESID 868 (T):       -----      -0.262       -----       0.091      -3.364       -----
RESID 869 (G):       -----       -----       -----      -0.118       -----       -----
RESID 870 (P):       -----      -0.112       -----       0.417      -0.357       -----
RESID 871 (D):      -0.699      -0.060       -----      -0.808      -1.813       1.026
RESID 872 (S):      -1.345      -1.088       -----       2.533      -1.452       0.168
RESID 873 (V):       0.309       0.089       -----       0.198      -0.430      -1.839
RESID 874 (P):       -----      -0.165       -----       0.639       0.293       -----
RESID 875 (G):       4.964       -----       -----       0.854       -----       0.934
RESID 876 (A):      -3.770      -1.636       -----       2.877      -1.304       0.082
RESID 877 (L):       4.520      -0.366       -----       0.483      -2.391       0.235
RESID 878 (D):      -1.589       0.411       -----      -0.204      -0.495       0.808
RESID 879 (Y):       2.237       0.816       -----      -0.152       0.086      -0.372
RESID 880 (M):       5.270      -0.078       -----      -1.156      -3.063       0.311
RESID 881 (S):      -1.469      -0.125       -----       1.819       0.755      -0.275
RESID 882 (F):       3.024       0.384       -----       1.809       1.331       0.080
RESID 883 (S):       3.361      -0.111       -----      -0.447       1.286      -1.071
RESID 884 (T):     -11.839      -0.201       -----      -0.407       0.409      -0.527
RESID 885 (A):       2.829      -0.088       -----       0.332       0.175       0.160
RESID 886 (L):       3.444       0.138       -----      -0.496       0.982       0.743
RESID 887 (Y):       3.991      -0.267       -----       1.468       2.470       0.416
RESID 888 (G):       2.961       -----       -----      -0.002       -----       0.104
RESID 889 (E):      -1.423      -0.231       -----      -0.236       0.245      -0.054
RESID 890 (S):      -4.065      -0.276       -----       0.292      -0.832      -0.029
RESID 891 (D):       1.776      -0.765       -----       0.634      -1.699      -0.571

DATA CS_STAT_INFO  N  RMS:   3.027 ppm Count: 139 Average Difference: -0.153 +/- 3.034 ppm
DATA CS_STAT_INFO  HA RMS:   0.361 ppm Count: 160 Average Difference:  0.061 +/- 0.357 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   1.188 ppm Count: 150 Average Difference: -0.266 +/- 1.162 ppm
DATA CS_STAT_INFO  CB RMS:   1.097 ppm Count: 140 Average Difference:  0.147 +/- 1.091 ppm
DATA CS_STAT_INFO  HN RMS:   0.643 ppm Count: 139 Average Difference: -0.192 +/- 0.616 ppm


############################################################################
For conformer 14:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 742 (S):       HA         4.525         4.525         4.067         0.458
RESID 742 (S):       CA        58.148        58.148        60.116        -1.968
RESID 742 (S):       CB        63.791        63.791        63.203         0.588
RESID 743 (I):        N       122.172       122.172       120.990         1.182
RESID 743 (I):       HA         4.362         4.362         4.160         0.202
RESID 743 (I):       CA        60.421        60.421        62.014        -1.593
RESID 743 (I):       CB        39.166        39.166        38.464         0.702
RESID 743 (I):        H         8.132         8.132         8.489        -0.357
RESID 744 (S):        N       123.144       123.144       120.706         2.438
RESID 744 (S):       HA         4.449         4.449         4.583        -0.134
RESID 744 (S):       CA        57.463        57.463        56.867         0.596
RESID 744 (S):       CB        65.219        65.219        64.872         0.347
RESID 744 (S):        H         8.848         8.848         8.585         0.263
RESID 745 (Q):        N       121.619       121.619       123.887        -2.268
RESID 745 (Q):       HA         3.952         3.952         4.110        -0.158
RESID 745 (Q):       CA        58.768        58.768        59.195        -0.427
RESID 745 (Q):       CB        28.512        28.512        28.680        -0.168
RESID 745 (Q):        H         9.042         9.042         8.977         0.065
RESID 746 (E):        N       118.648       118.648       119.272        -0.624
RESID 746 (E):       HA         4.004         4.004         4.152        -0.148
RESID 746 (E):       CA        60.223        60.223        59.144         1.079
RESID 746 (E):       CB        28.854        28.854        29.583        -0.729
RESID 746 (E):        H         8.721         8.721         7.704         1.017
RESID 747 (Q):        N       120.463       120.463       120.069         0.394
RESID 747 (Q):       HA         3.766         3.766         4.434        -0.668
RESID 747 (Q):       CA        58.306        58.306        58.769        -0.463
RESID 747 (Q):       CB        28.948        28.948        28.162         0.786
RESID 747 (Q):        H         7.838         7.838         8.477        -0.639
RESID 748 (M):        N       119.252       119.252       115.353         3.899
RESID 748 (M):       HA         4.200         4.200         4.487        -0.287
RESID 748 (M):       CA        58.096        58.096        59.186        -1.090
RESID 748 (M):       CB        30.900        30.900        32.437        -1.537
RESID 748 (M):        H         8.473         8.473         8.287         0.186
RESID 749 (N):        N       117.740       117.740       118.470        -0.730
RESID 749 (N):       HA         4.474         4.474         4.576        -0.102
RESID 749 (N):       CA        55.795        55.795        55.768         0.027
RESID 749 (N):       CB        37.413        37.413        38.767        -1.354
RESID 749 (N):        H         8.334         8.334         7.719         0.615
RESID 750 (E):        N       122.848       122.848       119.169         3.679
RESID 750 (E):       HA         4.204         4.204         4.217        -0.013
RESID 750 (E):       CA        59.341        59.341        58.388         0.953
RESID 750 (E):       CB        29.184        29.184        29.737        -0.553
RESID 750 (E):        H         7.838         7.838         8.489        -0.651
RESID 751 (F):        N       120.177       120.177       121.984        -1.807
RESID 751 (F):       HA         5.021         5.021         4.476         0.545
RESID 751 (F):       CA        58.353        58.353        58.614        -0.261
RESID 751 (F):       CB        37.797        37.797        40.252        -2.455
RESID 751 (F):        H         8.785         8.785         8.263         0.522
RESID 752 (R):        N       120.528       120.528       121.237        -0.709
RESID 752 (R):       HA         4.160         4.160         3.958         0.202
RESID 752 (R):       CA        59.704        59.704        58.463         1.241
RESID 752 (R):       CB        29.968        29.968        28.677         1.291
RESID 752 (R):        H         9.016         9.016         8.450         0.566
RESID 753 (A):        N       121.112       121.112       123.031        -1.919
RESID 753 (A):       HA         4.245         4.245         4.428        -0.183
RESID 753 (A):       CA        55.331        55.331        54.424         0.907
RESID 753 (A):       CB        17.823        17.823        17.789         0.034
RESID 753 (A):        H         8.100         8.100         7.913         0.187
RESID 754 (S):        N       115.589       115.589       115.507         0.082
RESID 754 (S):       HA         4.452         4.452         4.089         0.363
RESID 754 (S):       CA        62.675        62.675        59.955         2.720
RESID 754 (S):       CB        63.359        63.359        62.526         0.833
RESID 754 (S):        H         8.391         8.391         7.721         0.670
RESID 755 (F):        N       121.886       121.886       118.228         3.658
RESID 755 (F):       HA         3.642         3.642         4.257        -0.615
RESID 755 (F):       CA        61.964        61.964        59.693         2.271
RESID 755 (F):       CB        39.822        39.822        38.847         0.975
RESID 755 (F):        H         8.675         8.675         7.914         0.761
RESID 756 (N):        N       113.618       113.618       112.687         0.931
RESID 756 (N):       HA         4.427         4.427         4.184         0.243
RESID 756 (N):       CA        55.611        55.611        52.374         3.237
RESID 756 (N):       CB        37.838        37.838        38.730        -0.892
RESID 756 (N):        H         8.593         8.593         7.413         1.180
RESID 757 (H):        N       119.679       119.679       120.192        -0.513
RESID 757 (H):       HA         4.079         4.079         4.260        -0.181
RESID 757 (H):       CA        59.344        59.344        58.684         0.660
RESID 757 (H):       CB        29.889        29.889        30.104        -0.215
RESID 757 (H):        H         8.139         8.139         7.201         0.938
RESID 758 (F):        N       113.051       113.051       116.510        -3.459
RESID 758 (F):       HA         4.061         4.061         4.655        -0.594
RESID 758 (F):       CA        60.697        60.697        58.406         2.291
RESID 758 (F):       CB        38.735        38.735        40.754        -2.019
RESID 758 (F):        H         7.585         7.585         7.607        -0.022
RESID 759 (D):        N       120.916       120.916       121.805        -0.889
RESID 759 (D):       HA         4.509         4.509         4.474         0.035
RESID 759 (D):       CA        52.171        52.171        55.219        -3.048
RESID 759 (D):       CB        38.009        38.009        40.827        -2.818
RESID 759 (D):        H         7.423         7.423         8.046        -0.623
RESID 760 (R):        N       124.819       124.819       126.063        -1.244
RESID 760 (R):       HA         3.768         3.768         4.096        -0.328
RESID 760 (R):       CA        58.275        58.275        58.549        -0.274
RESID 760 (R):       CB        30.249        30.249        30.682        -0.433
RESID 760 (R):        H         7.781         7.781         8.301        -0.520
RESID 761 (D):        N       113.673       113.673       112.923         0.750
RESID 761 (D):       HA         4.483         4.483         4.730        -0.247
RESID 761 (D):       CA        51.977        51.977        53.279        -1.302
RESID 761 (D):       CB        39.522        39.522        41.275        -1.753
RESID 761 (D):        H         7.821         7.821         8.102        -0.281
RESID 762 (H):        N       114.966       114.966       117.030        -2.064
RESID 762 (H):       HA         4.161         4.161         4.345        -0.184
RESID 762 (H):       CA        56.618        56.618        56.852        -0.234
RESID 762 (H):       CB        26.380        26.380        28.707        -2.327
RESID 762 (H):        H         7.744         7.744         8.066        -0.322
RESID 763 (S):        N       115.077       115.077       113.328         1.749
RESID 763 (S):       HA         4.336         4.336         4.373        -0.037
RESID 763 (S):       CA        59.860        59.860        59.318         0.542
RESID 763 (S):       CB        65.192        65.192        64.274         0.918
RESID 763 (S):        H         8.726         8.726         8.197         0.529
RESID 764 (G):        N       116.915       116.915       110.632         6.283
RESID 764 (G):       CA        45.449        45.449        45.556        -0.107
RESID 764 (G):        H        11.017        11.017         9.031         1.986
RESID 765 (T):        N       107.334       107.334       109.700        -2.366
RESID 765 (T):       HA         4.829         4.829         5.056        -0.227
RESID 765 (T):       CA        58.759        58.759        60.046        -1.287
RESID 765 (T):       CB        73.383        73.383        72.120         1.263
RESID 765 (T):        H         7.693         7.693         7.791        -0.098
RESID 766 (L):        N       124.664       124.664       121.279         3.385
RESID 766 (L):       HA         4.900         4.900         4.995        -0.095
RESID 766 (L):       CA        52.339        52.339        53.448        -1.109
RESID 766 (L):       CB        42.339        42.339        44.602        -2.263
RESID 766 (L):        H         9.209         9.209         8.410         0.799
RESID 767 (G):        N       112.024       112.024       109.172         2.852
RESID 767 (G):       CA        44.123        44.123        43.828         0.295
RESID 767 (G):        H         8.910         8.910         8.968        -0.058
RESID 768 (P):       HA         4.318         4.318         4.558        -0.240
RESID 768 (P):       CA        67.127        67.127        66.084         1.044
RESID 768 (P):       CB        32.029        32.029        32.283        -0.254
RESID 769 (E):        N       115.246       115.246       118.097        -2.851
RESID 769 (E):       HA         3.971         3.971         4.137        -0.166
RESID 769 (E):       CA        59.621        59.621        58.934         0.687
RESID 769 (E):       CB        28.628        28.628        29.483        -0.855
RESID 769 (E):        H         8.622         8.622         8.945        -0.323
RESID 770 (E):        N       121.127       121.127       118.126         3.001
RESID 770 (E):       HA         4.272         4.272         4.255         0.017
RESID 770 (E):       CA        58.497        58.497        58.400         0.097
RESID 770 (E):       CB        31.372        31.372        29.948         1.424
RESID 770 (E):        H         7.493         7.493         7.982        -0.489
RESID 771 (F):        N       117.688       117.688       122.540        -4.852
RESID 771 (F):       HA         4.355         4.355         4.231         0.123
RESID 771 (F):       CA        58.625        58.625        60.767        -2.142
RESID 771 (F):       CB        38.810        38.810        39.143        -0.333
RESID 771 (F):        H         9.110         9.110         8.950         0.160
RESID 772 (K):        N       119.789       119.789       118.678         1.111
RESID 772 (K):       HA         3.313         3.313         3.740        -0.427
RESID 772 (K):       CA        60.672        60.672        58.364         2.308
RESID 772 (K):       CB        31.979        31.979        30.904         1.075
RESID 772 (K):        H         8.594         8.594         8.060         0.534
RESID 773 (A):        N       118.461       118.461       120.839        -2.378
RESID 773 (A):       HA         3.881         3.881         4.007        -0.126
RESID 773 (A):       CA        55.013        55.013        53.802         1.211
RESID 773 (A):       CB        17.629        17.629        18.959        -1.330
RESID 773 (A):        H         7.231         7.231         7.701        -0.470
RESID 774 (C):        N       120.913       120.913       119.503         1.410
RESID 774 (C):       HA         2.435         2.435         3.369        -0.934
RESID 774 (C):       CA        61.174        61.174        62.361        -1.187
RESID 774 (C):       CB        26.215        26.215        27.291        -1.076
RESID 774 (C):        H         7.498         7.498         7.789        -0.291
RESID 775 (L):        N       119.201       119.201       118.856         0.345
RESID 775 (L):       HA         3.766         3.766         3.503         0.263
RESID 775 (L):       CA        57.932        57.932        56.629         1.303
RESID 775 (L):       CB        40.950        40.950        41.274        -0.324
RESID 775 (L):        H         8.372         8.372         7.816         0.556
RESID 776 (I):        N       121.051       121.051       118.340         2.711
RESID 776 (I):       HA         4.090         4.090         2.472         1.618
RESID 776 (I):       CA        65.244        65.244        64.167         1.077
RESID 776 (I):       CB        37.991        37.991        37.229         0.762
RESID 776 (I):        H         8.358         8.358         6.685         1.673
RESID 777 (S):        N       119.109       119.109       113.096         6.013
RESID 777 (S):       HA         4.291         4.291         4.132         0.159
RESID 777 (S):       CA        61.725        61.725        59.492         2.233
RESID 777 (S):       CB        62.995        62.995        63.183        -0.188
RESID 777 (S):        H         7.822         7.822         7.217         0.605
RESID 778 (L):        N       121.208       121.208       117.302         3.906
RESID 778 (L):       HA         4.506         4.506         4.316         0.190
RESID 778 (L):       CA        54.999        54.999        53.660         1.339
RESID 778 (L):       CB        42.670        42.670        42.277         0.393
RESID 778 (L):        H         7.671         7.671         7.028         0.643
RESID 779 (G):        N       106.232       106.232       107.168        -0.936
RESID 779 (G):       CA        45.287        45.287        45.004         0.283
RESID 779 (G):        H         7.897         7.897         7.187         0.710
RESID 780 (Y):        N       120.772       120.772       118.043         2.729
RESID 780 (Y):       HA         4.142         4.142         4.610        -0.468
RESID 780 (Y):       CA        59.231        59.231        54.764         4.467
RESID 780 (Y):       CB        38.341        38.341        38.644        -0.303
RESID 780 (Y):        H         8.072         8.072         7.402         0.670
RESID 781 (D):        N       124.304       124.304       119.014         5.290
RESID 781 (D):       HA         4.665         4.665         4.602         0.063
RESID 781 (D):       CA        53.148        53.148        54.529        -1.381
RESID 781 (D):       CB        39.804        39.804        40.385        -0.581
RESID 781 (D):        H         8.862         8.862         9.043        -0.181
RESID 782 (I):        N       122.271       122.271       112.465         9.806
RESID 782 (I):       HA         4.341         4.341         4.464        -0.123
RESID 782 (I):       CA        58.992        58.992        58.966         0.026
RESID 782 (I):       CB        37.907        37.907        41.994        -4.087
RESID 782 (I):        H         7.344         7.344         6.887         0.457
RESID 783 (G):        N       112.322       112.322       106.108         6.214
RESID 783 (G):       CA        44.523        44.523        44.276         0.247
RESID 783 (G):        H         8.122         8.122         8.210        -0.088
RESID 784 (N):        N       118.727       118.727       117.446         1.281
RESID 784 (N):       HA         4.882         4.882         4.650         0.232
RESID 784 (N):       CA        52.098        52.098        53.090        -0.993
RESID 784 (N):       CB        37.424        37.424        38.532        -1.109
RESID 784 (N):        H         8.452         8.452         8.517        -0.065
RESID 785 (D):        N       119.826       119.826       122.418        -2.592
RESID 785 (D):       HA         4.778         4.778         4.682         0.096
RESID 785 (D):       CA        52.164        52.164        53.100        -0.936
RESID 785 (D):       CB        39.657        39.657        40.774        -1.117
RESID 785 (D):        H         8.145         8.145         7.830         0.315
RESID 786 (P):       HA         4.271         4.271         4.222         0.049
RESID 786 (P):       CA        66.265        66.265        65.385         0.880
RESID 786 (P):       CB        32.011        32.011        32.160        -0.148
RESID 787 (Q):        N       118.097       118.097       117.567         0.530
RESID 787 (Q):       HA         4.141         4.141         4.206        -0.065
RESID 787 (Q):       CA        59.115        59.115        58.209         0.906
RESID 787 (Q):       CB        27.732        27.732        28.284        -0.551
RESID 787 (Q):        H         8.409         8.409         8.371         0.038
RESID 788 (G):        N       113.421       113.421       109.187         4.234
RESID 788 (G):       CA        47.317        47.317        46.875         0.442
RESID 788 (G):        H         8.644         8.644         8.431         0.213
RESID 789 (E):        N       121.223       121.223       121.687        -0.464
RESID 789 (E):       HA         4.148         4.148         4.246        -0.098
RESID 789 (E):       CA        59.344        59.344        58.979         0.365
RESID 789 (E):       CB        29.435        29.435        29.707        -0.272
RESID 789 (E):        H         8.514         8.514         8.560        -0.046
RESID 790 (A):        N       122.879       122.879       122.765         0.114
RESID 790 (A):       HA         4.247         4.247         4.192         0.055
RESID 790 (A):       CA        54.907        54.907        55.090        -0.183
RESID 790 (A):       CB        17.780        17.780        18.327        -0.547
RESID 790 (A):        H         8.024         8.024         7.635         0.389
RESID 791 (E):        N       122.622       122.622       119.196         3.426
RESID 791 (E):       HA         4.687         4.687         4.087         0.600
RESID 791 (E):       CA        58.134        58.134        58.742        -0.609
RESID 791 (E):       CB        29.061        29.061        29.496        -0.435
RESID 791 (E):        H         8.280         8.280         7.924         0.356
RESID 792 (F):        N       119.949       119.949       120.938        -0.989
RESID 792 (F):       HA         4.038         4.038         4.249        -0.211
RESID 792 (F):       CA        61.812        61.812        60.958         0.854
RESID 792 (F):       CB        38.598        38.598        38.634        -0.036
RESID 792 (F):        H         8.722         8.722         8.802        -0.080
RESID 793 (A):        N       119.652       119.652       121.782        -2.130
RESID 793 (A):       HA         3.854         3.854         3.311         0.543
RESID 793 (A):       CA        54.902        54.902        54.557         0.345
RESID 793 (A):       CB        17.628        17.628        17.842        -0.214
RESID 793 (A):        H         8.163         8.163         7.950         0.213
RESID 794 (R):        N       121.092       121.092       119.328         1.764
RESID 794 (R):       HA         3.910         3.910         3.988        -0.078
RESID 794 (R):       CA        59.471        59.471        59.146         0.325
RESID 794 (R):       CB        30.092        30.092        30.207        -0.115
RESID 794 (R):        H         8.034         8.034         7.525         0.509
RESID 795 (I):        N       121.394       121.394       120.784         0.610
RESID 795 (I):       HA         3.388         3.388         3.721        -0.333
RESID 795 (I):       CA        65.848        65.848        65.185         0.663
RESID 795 (I):       CB        38.209        38.209        38.157         0.052
RESID 795 (I):        H         8.049         8.049         7.768         0.281
RESID 796 (M):        N       119.012       119.012       117.019         1.993
RESID 796 (M):       HA         4.155         4.155         3.996         0.159
RESID 796 (M):       CA        56.470        56.470        57.722        -1.252
RESID 796 (M):       CB        29.892        29.892        31.499        -1.607
RESID 796 (M):        H         8.589         8.589         8.194         0.395
RESID 797 (S):        N       114.132       114.132       112.646         1.486
RESID 797 (S):       HA         4.097         4.097         4.329        -0.232
RESID 797 (S):       CA        61.231        61.231        60.088         1.143
RESID 797 (S):       CB        62.895        62.895        63.528        -0.633
RESID 797 (S):        H         7.732         7.732         7.547         0.185
RESID 798 (I):        N       120.873       120.873       118.018         2.855
RESID 798 (I):       HA         3.818         3.818         4.139        -0.321
RESID 798 (I):       CA        63.875        63.875        63.502         0.373
RESID 798 (I):       CB        38.863        38.863        38.480         0.383
RESID 798 (I):        H         7.352         7.352         7.535        -0.183
RESID 799 (V):        N       110.552       110.552       112.797        -2.245
RESID 799 (V):       HA         4.243         4.243         3.978         0.265
RESID 799 (V):       CA        62.616        62.616        61.122         1.494
RESID 799 (V):       CB        32.416        32.416        30.492         1.924
RESID 799 (V):        H         7.648         7.648         7.902        -0.254
RESID 800 (D):        N       119.435       119.435       120.452        -1.017
RESID 800 (D):       HA         5.225         5.225         5.119         0.106
RESID 800 (D):       CA        51.715        51.715        50.261         1.454
RESID 800 (D):       CB        41.086        41.086        41.197        -0.111
RESID 800 (D):        H         8.074         8.074         7.424         0.650
RESID 801 (P):       HA         4.331         4.331         4.456        -0.125
RESID 801 (P):       CA        64.819        64.819        63.988         0.831
RESID 801 (P):       CB        31.689        31.689        31.906        -0.217
RESID 802 (N):        N       115.164       115.164       116.107        -0.943
RESID 802 (N):       HA         4.760         4.760         4.693         0.067
RESID 802 (N):       CA        52.998        52.998        52.829         0.169
RESID 802 (N):       CB        37.952        37.952        39.705        -1.753
RESID 802 (N):        H         8.949         8.949         7.795         1.154
RESID 803 (R):        N       117.446       117.446       116.322         1.124
RESID 803 (R):       HA         3.830         3.830         4.216        -0.386
RESID 803 (R):       CA        56.888        56.888        56.958        -0.070
RESID 803 (R):       CB        26.354        26.354        26.996        -0.642
RESID 803 (R):        H         7.958         7.958         7.978        -0.020
RESID 804 (L):        N       123.307       123.307       115.241         8.066
RESID 804 (L):       HA         4.156         4.156         4.686        -0.530
RESID 804 (L):       CA        56.373        56.373        54.599         1.774
RESID 804 (L):       CB        42.930        42.930        41.733         1.196
RESID 804 (L):        H        10.591        10.591         8.249         2.342
RESID 805 (G):        N       110.516       110.516       107.656         2.860
RESID 805 (G):       CA        44.944        44.944        45.833        -0.889
RESID 805 (G):        H        11.001        11.001         8.725         2.276
RESID 806 (V):        N       109.840       109.840       115.318        -5.478
RESID 806 (V):       HA         4.571         4.571         4.671        -0.100
RESID 806 (V):       CA        58.566        58.566        59.803        -1.236
RESID 806 (V):       CB        36.853        36.853        35.152         1.701
RESID 806 (V):        H         6.831         6.831         7.314        -0.483
RESID 807 (V):        N       122.184       122.184       122.005         0.179
RESID 807 (V):       HA         4.167         4.167         4.502        -0.335
RESID 807 (V):       CA        61.644        61.644        59.461         2.183
RESID 807 (V):       CB        32.383        32.383        31.988         0.395
RESID 807 (V):        H         9.007         9.007         8.682         0.325
RESID 808 (T):        N       117.391       117.391       118.096        -0.705
RESID 808 (T):       HA         4.593         4.593         4.475         0.118
RESID 808 (T):       CA        60.615        60.615        58.458         2.158
RESID 808 (T):       CB        70.695        70.695        70.653         0.041
RESID 808 (T):        H         7.925         7.925         7.308         0.617
RESID 809 (F):        N       122.236       122.236       118.306         3.930
RESID 809 (F):       HA         3.640         3.640         4.615        -0.975
RESID 809 (F):       CA        61.749        61.749        60.936         0.813
RESID 809 (F):       CB        38.177        38.177        37.615         0.562
RESID 809 (F):        H         9.349         9.349         7.874         1.475
RESID 810 (Q):        N       116.788       116.788       116.727         0.061
RESID 810 (Q):       HA         3.598         3.598         4.221        -0.623
RESID 810 (Q):       CA        58.582        58.582        57.699         0.883
RESID 810 (Q):       CB        28.199        28.199        28.564        -0.365
RESID 810 (Q):        H         8.572         8.572         7.972         0.600
RESID 811 (A):        N       121.208       121.208       122.676        -1.468
RESID 811 (A):       HA         4.119         4.119         4.157        -0.038
RESID 811 (A):       CA        54.911        54.911        53.879         1.032
RESID 811 (A):       CB        19.265        19.265        18.698         0.567
RESID 811 (A):        H         7.667         7.667         7.819        -0.152
RESID 812 (F):        N       119.805       119.805       118.714         1.091
RESID 812 (F):       HA         3.980         3.980         4.292        -0.312
RESID 812 (F):       CA        61.740        61.740        62.307        -0.567
RESID 812 (F):       CB        39.670        39.670        38.523         1.147
RESID 812 (F):        H         8.400         8.400         8.361         0.039
RESID 813 (I):        N       118.098       118.098       117.838         0.260
RESID 813 (I):       HA         3.146         3.146         4.095        -0.949
RESID 813 (I):       CA        63.299        63.299        62.625         0.674
RESID 813 (I):       CB        36.202        36.202        36.415        -0.213
RESID 813 (I):        H         8.364         8.364         7.883         0.481
RESID 814 (D):        N       123.528       123.528       120.618         2.910
RESID 814 (D):       HA         4.196         4.196         4.402        -0.206
RESID 814 (D):       CA        57.680        57.680        57.434         0.246
RESID 814 (D):       CB        40.236        40.236        40.673        -0.437
RESID 814 (D):        H         8.221         8.221         7.885         0.336
RESID 815 (F):        N       120.584       120.584       120.578         0.006
RESID 815 (F):       HA         4.129         4.129         4.548        -0.419
RESID 815 (F):       CA        61.084        61.084        60.833         0.251
RESID 815 (F):       CB        39.698        39.698        39.730        -0.032
RESID 815 (F):        H         7.887         7.887         7.987        -0.100
RESID 816 (M):        N       116.960       116.960       120.751        -3.791
RESID 816 (M):       HA         3.782         3.782         4.118        -0.336
RESID 816 (M):       CA        55.662        55.662        57.520        -1.858
RESID 816 (M):       CB        30.033        30.033        31.423        -1.390
RESID 816 (M):        H         8.372         8.372         8.215         0.157
RESID 817 (S):        N       114.277       114.277       114.479        -0.202
RESID 817 (S):       HA         4.194         4.194         4.310        -0.116
RESID 817 (S):       CA        60.521        60.521        60.865        -0.344
RESID 817 (S):       CB        63.185        63.185        62.971         0.214
RESID 817 (S):        H         8.074         8.074         8.256        -0.182
RESID 818 (R):        N       121.493       121.493       119.692         1.801
RESID 818 (R):       HA         4.124         4.124         4.231        -0.107
RESID 818 (R):       CA        57.684        57.684        56.170         1.514
RESID 818 (R):       CB        30.315        30.315        29.142         1.173
RESID 818 (R):        H         7.288         7.288         8.208        -0.920
RESID 819 (E):        N       119.737       119.737       118.353         1.384
RESID 819 (E):       HA         4.101         4.101         4.027         0.074
RESID 819 (E):       CA        57.066        57.066        58.905        -1.839
RESID 819 (E):       CB        30.491        30.491        28.930         1.561
RESID 819 (E):        H         8.045         8.045         7.610         0.435
RESID 820 (T):        N       112.128       112.128       110.485         1.643
RESID 820 (T):       HA         4.280         4.280         4.012         0.268
RESID 820 (T):       CA        62.055        62.055        62.981        -0.926
RESID 820 (T):       CB        69.828        69.828        68.782         1.046
RESID 820 (T):        H         7.760         7.760         7.538         0.222
RESID 821 (A):        N       126.098       126.098       124.607         1.491
RESID 821 (A):       HA         4.284         4.284         4.271         0.013
RESID 821 (A):       CA        52.726        52.726        53.148        -0.422
RESID 821 (A):       CB        19.304        19.304        20.090        -0.786
RESID 821 (A):        H         7.957         7.957         7.491         0.466
RESID 822 (D):        N       119.904       119.904       115.171         4.733
RESID 822 (D):       HA         4.613         4.613         4.748        -0.135
RESID 822 (D):       CA        54.335        54.335        53.856         0.479
RESID 822 (D):       CB        41.032        41.032        43.208        -2.176
RESID 822 (D):        H         8.352         8.352         7.961         0.391
RESID 823 (T):        N       114.142       114.142       117.865        -3.723
RESID 823 (T):       HA         4.278         4.278         4.581        -0.303
RESID 823 (T):       CA        62.117        62.117        61.592         0.525
RESID 823 (T):       CB        69.584        69.584        71.587        -2.003
RESID 823 (T):        H         8.079         8.079         7.938         0.141
RESID 824 (D):        N       123.261       123.261       123.329        -0.068
RESID 824 (D):       HA         4.657         4.657         4.460         0.197
RESID 824 (D):       CA        54.786        54.786        56.999        -2.213
RESID 824 (D):       CB        41.085        41.085        41.067         0.018
RESID 824 (D):        H         8.431         8.431         8.825        -0.394
RESID 825 (T):        N       114.932       114.932       111.465         3.467
RESID 825 (T):       HA         4.161         4.161         4.308        -0.147
RESID 825 (T):       CA        63.109        63.109        64.059        -0.950
RESID 825 (T):       CB        69.455        69.455        69.025         0.430
RESID 825 (T):        H         8.155         8.155         8.528        -0.373
RESID 826 (A):        N       124.961       124.961       124.379         0.582
RESID 826 (A):       HA         4.160         4.160         4.110         0.050
RESID 826 (A):       CA        54.392        54.392        54.358         0.034
RESID 826 (A):       CB        18.610        18.610        18.289         0.321
RESID 826 (A):        H         8.379         8.379         7.526         0.853
RESID 827 (D):        N       117.765       117.765       117.943        -0.178
RESID 827 (D):       HA         4.425         4.425         4.370         0.055
RESID 827 (D):       CA        56.051        56.051        56.987        -0.936
RESID 827 (D):       CB        40.559        40.559        41.105        -0.546
RESID 827 (D):        H         8.250         8.250         7.821         0.429
RESID 828 (Q):        N       120.523       120.523       118.340         2.183
RESID 828 (Q):       HA         4.091         4.091         4.089         0.002
RESID 828 (Q):       CA        57.814        57.814        58.224        -0.410
RESID 828 (Q):       CB        28.549        28.549        28.837        -0.288
RESID 828 (Q):        H         8.076         8.076         7.742         0.334
RESID 829 (V):        N       120.970       120.970       121.392        -0.422
RESID 829 (V):       HA         3.525         3.525         3.795        -0.270
RESID 829 (V):       CA        65.194        65.194        64.278         0.915
RESID 829 (V):       CB        31.541        31.541        31.364         0.177
RESID 829 (V):        H         8.051         8.051         7.409         0.642
RESID 830 (M):        N       119.572       119.572       118.753         0.819
RESID 830 (M):       HA         4.006         4.006         3.921         0.085
RESID 830 (M):       CA        57.977        57.977        57.923         0.054
RESID 830 (M):       CB        31.995        31.995        31.649         0.346
RESID 830 (M):        H         8.110         8.110         7.759         0.351
RESID 831 (A):        N       121.059       121.059       120.653         0.406
RESID 831 (A):       HA         4.045         4.045         3.352         0.693
RESID 831 (A):       CA        54.501        54.501        53.949         0.552
RESID 831 (A):       CB        18.067        18.067        17.832         0.235
RESID 831 (A):        H         7.836         7.836         7.304         0.532
RESID 832 (S):        N       114.256       114.256       115.570        -1.314
RESID 832 (S):       HA         4.141         4.141         4.007         0.134
RESID 832 (S):       CA        60.845        60.845        61.189        -0.344
RESID 832 (S):       CB        62.613        62.613        62.824        -0.211
RESID 832 (S):        H         7.714         7.714         7.322         0.392
RESID 833 (F):        N       121.847       121.847       118.957         2.890
RESID 833 (F):       HA         3.823         3.823         4.224        -0.401
RESID 833 (F):       CA        58.627        58.627        57.276         1.351
RESID 833 (F):       CB        38.127        38.127        37.214         0.913
RESID 833 (F):        H         7.740         7.740         7.596         0.144
RESID 834 (K):        N       118.759       118.759       120.368        -1.609
RESID 834 (K):       HA         3.589         3.589         3.745        -0.156
RESID 834 (K):       CA        59.384        59.384        58.103         1.281
RESID 834 (K):       CB        32.143        32.143        32.026         0.117
RESID 834 (K):        H         7.843         7.843         8.019        -0.176
RESID 835 (I):        N       118.537       118.537       120.090        -1.553
RESID 835 (I):       HA         3.736         3.736         3.722         0.014
RESID 835 (I):       CA        63.714        63.714        64.586        -0.872
RESID 835 (I):       CB        37.825        37.825        37.902        -0.077
RESID 835 (I):        H         7.315         7.315         7.242         0.073
RESID 836 (L):        N       121.201       121.201       118.839         2.362
RESID 836 (L):       HA         3.955         3.955         3.810         0.145
RESID 836 (L):       CA        57.074        57.074        57.275        -0.201
RESID 836 (L):       CB        42.415        42.415        41.930         0.485
RESID 836 (L):        H         7.625         7.625         7.881        -0.256
RESID 837 (A):        N       119.184       119.184       118.446         0.738
RESID 837 (A):       HA         3.895         3.895         3.893         0.002
RESID 837 (A):       CA        53.301        53.301        53.961        -0.660
RESID 837 (A):       CB        19.338        19.338        18.852         0.486
RESID 837 (A):        H         8.099         8.099         7.463         0.636
RESID 838 (G):        N       107.030       107.030       106.460         0.570
RESID 838 (G):       CA        46.918        46.918        46.905         0.013
RESID 838 (G):        H         7.676         7.676         8.485        -0.809
RESID 839 (D):        N       122.291       122.291       124.410        -2.119
RESID 839 (D):       HA         4.477         4.477         4.705        -0.228
RESID 839 (D):       CA        54.511        54.511        53.933         0.578
RESID 839 (D):       CB        40.181        40.181        41.339        -1.157
RESID 839 (D):        H         8.704         8.704         8.041         0.663
RESID 840 (K):        N       117.582       117.582       120.733        -3.151
RESID 840 (K):       HA         4.301         4.301         4.445        -0.144
RESID 840 (K):       CA        55.780        55.780        55.696         0.084
RESID 840 (K):       CB        33.710        33.710        33.344         0.366
RESID 840 (K):        H         7.583         7.583         7.489         0.094
RESID 841 (N):        N       116.678       116.678       116.175         0.503
RESID 841 (N):       HA         4.611         4.611         4.544         0.067
RESID 841 (N):       CA        53.466        53.466        54.163        -0.697
RESID 841 (N):       CB        39.155        39.155        39.101         0.054
RESID 841 (N):        H         8.693         8.693         8.913        -0.220
RESID 842 (Y):        N       112.236       112.236       113.373        -1.137
RESID 842 (Y):       HA         4.986         4.986         4.672         0.314
RESID 842 (Y):       CA        54.918        54.918        56.211        -1.293
RESID 842 (Y):       CB        40.595        40.595        40.236         0.359
RESID 842 (Y):        H         6.637         6.637         7.196        -0.559
RESID 843 (I):        N       115.475       115.475       122.182        -6.707
RESID 843 (I):       HA         4.792         4.792         4.515         0.277
RESID 843 (I):       CA        58.957        58.957        58.440         0.517
RESID 843 (I):       CB        43.009        43.009        42.651         0.358
RESID 843 (I):        H         8.630         8.630         9.292        -0.662
RESID 844 (T):        N       117.169       117.169       118.962        -1.793
RESID 844 (T):       HA         5.370         5.370         5.210         0.160
RESID 844 (T):       CA        60.177        60.177        60.600        -0.423
RESID 844 (T):       CB        71.088        71.088        70.717         0.371
RESID 844 (T):        H         9.330         9.330         9.393        -0.063
RESID 845 (M):        N       119.860       119.860       120.408        -0.548
RESID 845 (M):       HA         3.824         3.824         4.034        -0.210
RESID 845 (M):       CA        60.321        60.321        60.356        -0.035
RESID 845 (M):       CB        33.030        33.030        32.167         0.863
RESID 845 (M):        H         8.556         8.556         8.873        -0.317
RESID 846 (D):        N       116.363       116.363       117.485        -1.122
RESID 846 (D):       HA         4.280         4.280         4.431        -0.151
RESID 846 (D):       CA        57.404        57.404        56.880         0.524
RESID 846 (D):       CB        40.584        40.584        40.579         0.005
RESID 846 (D):        H         8.377         8.377         8.713        -0.336
RESID 847 (E):        N       120.577       120.577       118.442         2.135
RESID 847 (E):       HA         3.854         3.854         4.168        -0.314
RESID 847 (E):       CA        59.657        59.657        58.658         0.999
RESID 847 (E):       CB        29.660        29.660        30.150        -0.490
RESID 847 (E):        H         7.855         7.855         7.551         0.304
RESID 848 (L):        N       118.714       118.714       119.506        -0.792
RESID 848 (L):       HA         3.822         3.822         4.086        -0.264
RESID 848 (L):       CA        58.725        58.725        57.736         0.989
RESID 848 (L):       CB        42.457        42.457        42.153         0.304
RESID 848 (L):        H         7.849         7.849         7.550         0.299
RESID 849 (R):        N       113.972       113.972       114.678        -0.706
RESID 849 (R):       HA         3.924         3.924         4.440        -0.516
RESID 849 (R):       CA        58.595        58.595        56.868         1.727
RESID 849 (R):       CB        30.100        30.100        29.237         0.863
RESID 849 (R):        H         8.053         8.053         7.828         0.225
RESID 850 (R):        N       118.178       118.178       118.675        -0.497
RESID 850 (R):       HA         4.193         4.193         4.419        -0.226
RESID 850 (R):       CA        58.245        58.245        57.407         0.838
RESID 850 (R):       CB        31.120        31.120        31.730        -0.610
RESID 850 (R):        H         7.743         7.743         7.917        -0.174
RESID 851 (E):        N       115.518       115.518       119.398        -3.880
RESID 851 (E):       HA         4.350         4.350         4.354        -0.004
RESID 851 (E):       CA        56.886        56.886        57.519        -0.633
RESID 851 (E):       CB        31.590        31.590        31.331         0.259
RESID 851 (E):        H         7.596         7.596         7.760        -0.164
RESID 852 (L):        N       119.148       119.148       121.531        -2.383
RESID 852 (L):       HA         4.894         4.894         5.075        -0.181
RESID 852 (L):       CA        52.174        52.174        51.461         0.713
RESID 852 (L):       CB        42.469        42.469        42.108         0.361
RESID 852 (L):        H         7.890         7.890         7.773         0.117
RESID 853 (P):       HA         4.347         4.347         4.477        -0.130
RESID 853 (P):       CA        65.119        65.119        63.919         1.200
RESID 853 (P):       CB        31.631        31.631        30.345         1.286
RESID 854 (P):       HA         4.270         4.270         4.522        -0.252
RESID 854 (P):       CA        66.336        66.336        61.792         4.544
RESID 854 (P):       CB        32.256        32.256        33.315        -1.059
RESID 855 (D):        N       114.865       114.865       119.063        -4.198
RESID 855 (D):       HA         4.349         4.349         4.332         0.017
RESID 855 (D):       CA        56.913        56.913        56.796         0.117
RESID 855 (D):       CB        39.244        39.244        40.226        -0.982
RESID 855 (D):        H         8.801         8.801         8.322         0.479
RESID 856 (Q):        N       121.465       121.465       118.976         2.489
RESID 856 (Q):       HA         4.199         4.199         4.328        -0.129
RESID 856 (Q):       CA        58.317        58.317        59.386        -1.069
RESID 856 (Q):       CB        29.247        29.247        28.345         0.902
RESID 856 (Q):        H         7.472         7.472         8.432        -0.960
RESID 857 (A):        N       122.805       122.805       122.080         0.725
RESID 857 (A):       HA         3.799         3.799         4.001        -0.202
RESID 857 (A):       CA        56.303        56.303        55.861         0.442
RESID 857 (A):       CB        17.944        17.944        18.179        -0.235
RESID 857 (A):        H         8.882         8.882         8.103         0.779
RESID 858 (E):        N       114.094       114.094       118.909        -4.815
RESID 858 (E):       HA         4.024         4.024         4.018         0.006
RESID 858 (E):       CA        58.682        58.682        58.794        -0.112
RESID 858 (E):       CB        28.639        28.639        28.988        -0.349
RESID 858 (E):        H         8.155         8.155         7.906         0.249
RESID 859 (Y):        N       120.665       120.665       122.137        -1.472
RESID 859 (Y):       HA         4.084         4.084         4.175        -0.091
RESID 859 (Y):       CA        61.006        61.006        61.134        -0.128
RESID 859 (Y):       CB        38.687        38.687        38.189         0.498
RESID 859 (Y):        H         7.708         7.708         8.290        -0.582
RESID 860 (C):        N       115.812       115.812       117.236        -1.424
RESID 860 (C):       HA         4.158         4.158         3.434         0.724
RESID 860 (C):       CA        64.254        64.254        63.979         0.275
RESID 860 (C):       CB        27.304        27.304        27.004         0.300
RESID 860 (C):        H         8.113         8.113         7.874         0.239
RESID 861 (I):        N       120.078       120.078       119.916         0.162
RESID 861 (I):       HA         3.339         3.339         3.651        -0.312
RESID 861 (I):       CA        65.643        65.643        65.384         0.259
RESID 861 (I):       CB        38.714        38.714        37.646         1.068
RESID 861 (I):        H         8.453         8.453         8.035         0.418
RESID 862 (A):        N       116.691       116.691       122.570        -5.879
RESID 862 (A):       HA         4.209         4.209         4.002         0.207
RESID 862 (A):       CA        53.222        53.222        54.760        -1.538
RESID 862 (A):       CB        19.002        19.002        18.553         0.449
RESID 862 (A):        H         7.307         7.307         8.302        -0.995
RESID 863 (R):        N       117.226       117.226       114.668         2.558
RESID 863 (R):       HA         4.274         4.274         4.565        -0.291
RESID 863 (R):       CA        56.051        56.051        56.188        -0.137
RESID 863 (R):       CB        31.389        31.389        30.791         0.598
RESID 863 (R):        H         7.358         7.358         7.623        -0.265
RESID 864 (M):        N       117.583       117.583       118.474        -0.891
RESID 864 (M):       HA         4.561         4.561         4.462         0.099
RESID 864 (M):       CA        54.927        54.927        55.736        -0.809
RESID 864 (M):       CB        37.418        37.418        34.253         3.165
RESID 864 (M):        H         7.153         7.153         7.313        -0.160
RESID 865 (A):        N       124.643       124.643       125.318        -0.675
RESID 865 (A):       HA         3.866         3.866         4.736        -0.870
RESID 865 (A):       CA        49.194        49.194        49.393        -0.199
RESID 865 (A):       CB        18.647        18.647        18.566         0.081
RESID 865 (A):        H         8.557         8.557         8.156         0.401
RESID 866 (P):       HA         4.496         4.496         4.513        -0.017
RESID 866 (P):       CA        62.724        62.724        62.841        -0.117
RESID 866 (P):       CB        31.980        31.980        30.313         1.667
RESID 867 (Y):        N       122.461       122.461       127.190        -4.729
RESID 867 (Y):       HA         4.728         4.728         4.435         0.293
RESID 867 (Y):       CA        57.096        57.096        57.556        -0.460
RESID 867 (Y):       CB        39.175        39.175        38.523         0.652
RESID 867 (Y):        H         8.128         8.128         8.138        -0.010
RESID 868 (T):       HA         4.351         4.351         4.415        -0.064
RESID 868 (T):       CA        60.271        60.271        60.594        -0.323
RESID 868 (T):       CB        68.737        68.737        70.854        -2.117
RESID 869 (G):       CA        44.914        44.914        45.303        -0.389
RESID 870 (P):       HA         4.329         4.329         4.477        -0.148
RESID 870 (P):       CA        64.697        64.697        63.989         0.708
RESID 870 (P):       CB        31.579        31.579        31.947        -0.368
RESID 871 (D):        N       116.207       116.207       116.034         0.173
RESID 871 (D):       HA         4.604         4.604         4.616        -0.012
RESID 871 (D):       CA        52.749        52.749        54.673        -1.924
RESID 871 (D):       CB        38.929        38.929        40.849        -1.920
RESID 871 (D):        H         9.267         9.267         8.315         0.952
RESID 872 (S):        N       112.349       112.349       114.901        -2.552
RESID 872 (S):       HA         3.497         3.497         4.095        -0.598
RESID 872 (S):       CA        59.065        59.065        58.270         0.795
RESID 872 (S):       CB        63.125        63.125        64.566        -1.441
RESID 872 (S):        H         7.487         7.487         7.565        -0.078
RESID 873 (V):        N       113.567       113.567       113.088         0.479
RESID 873 (V):       HA         4.729         4.729         4.635         0.094
RESID 873 (V):       CA        58.044        58.044        57.523         0.521
RESID 873 (V):       CB        32.911        32.911        33.670        -0.760
RESID 873 (V):        H         6.411         6.411         7.835        -1.424
RESID 874 (P):       HA         4.296         4.296         4.415        -0.119
RESID 874 (P):       CA        64.335        64.335        63.665         0.670
RESID 874 (P):       CB        31.515        31.515        31.763        -0.248
RESID 875 (G):        N       112.118       112.118       110.774         1.344
RESID 875 (G):       CA        45.557        45.557        45.056         0.501
RESID 875 (G):        H         8.800         8.800         8.520         0.280
RESID 876 (A):        N       120.262       120.262       122.526        -2.264
RESID 876 (A):       HA         4.100         4.100         5.577        -1.477
RESID 876 (A):       CA        53.073        53.073        50.497         2.576
RESID 876 (A):       CB        20.508        20.508        21.789        -1.281
RESID 876 (A):        H         7.762         7.762         7.608         0.154
RESID 877 (L):        N       125.695       125.695       121.322         4.373
RESID 877 (L):       HA         4.776         4.776         5.254        -0.478
RESID 877 (L):       CA        54.269        54.269        53.787         0.482
RESID 877 (L):       CB        44.799        44.799        47.111        -2.312
RESID 877 (L):        H         9.595         9.595         9.364         0.231
RESID 878 (D):        N       119.823       119.823       121.537        -1.714
RESID 878 (D):       HA         4.879         4.879         4.464         0.415
RESID 878 (D):       CA        51.997        51.997        52.379        -0.382
RESID 878 (D):       CB        40.781        40.781        41.442        -0.661
RESID 878 (D):        H         9.031         9.031         8.103         0.928
RESID 879 (Y):        N       126.556       126.556       123.480         3.076
RESID 879 (Y):       HA         4.591         4.591         3.817         0.774
RESID 879 (Y):       CA        59.396        59.396        59.667        -0.271
RESID 879 (Y):       CB        37.321        37.321        37.366        -0.045
RESID 879 (Y):        H         7.456         7.456         7.891        -0.435
RESID 880 (M):        N       119.958       119.958       114.689         5.269
RESID 880 (M):       HA         4.605         4.605         4.642        -0.037
RESID 880 (M):       CA        56.044        56.044        57.076        -1.032
RESID 880 (M):       CB        30.101        30.101        32.959        -2.857
RESID 880 (M):        H         7.627         7.627         7.288         0.339
RESID 881 (S):        N       114.328       114.328       115.572        -1.244
RESID 881 (S):       HA         4.471         4.471         4.631        -0.160
RESID 881 (S):       CA        58.917        58.917        56.979         1.938
RESID 881 (S):       CB        64.447        64.447        63.760         0.687
RESID 881 (S):        H         7.726         7.726         7.772        -0.046
RESID 882 (F):        N       122.735       122.735       120.455         2.280
RESID 882 (F):       HA         4.722         4.722         4.369         0.353
RESID 882 (F):       CA        59.231        59.231        57.386         1.845
RESID 882 (F):       CB        40.285        40.285        39.000         1.285
RESID 882 (F):        H         7.385         7.385         7.301         0.084
RESID 883 (S):        N       120.156       120.156       117.384         2.772
RESID 883 (S):       HA         4.299         4.299         4.337        -0.038
RESID 883 (S):       CA        57.280        57.280        58.511        -1.231
RESID 883 (S):       CB        64.601        64.601        63.693         0.908
RESID 883 (S):        H         7.472         7.472         8.303        -0.831
RESID 884 (T):        N       110.683       110.683       116.079        -5.396
RESID 884 (T):       HA         3.966         3.966         4.026        -0.060
RESID 884 (T):       CA        63.465        63.465        62.969         0.496
RESID 884 (T):       CB        68.899        68.899        68.940        -0.041
RESID 884 (T):        H         7.996         7.996         7.804         0.192
RESID 885 (A):        N       125.456       125.456       124.038         1.418
RESID 885 (A):       HA         4.236         4.236         4.500        -0.264
RESID 885 (A):       CA        52.030        52.030        51.098         0.932
RESID 885 (A):       CB        19.225        19.225        20.224        -0.999
RESID 885 (A):        H         7.905         7.905         7.482         0.423
RESID 886 (L):        N       120.638       120.638       122.653        -2.015
RESID 886 (L):       HA         4.002         4.002         4.145        -0.143
RESID 886 (L):       CA        55.462        55.462        54.768         0.694
RESID 886 (L):       CB        42.265        42.265        42.499        -0.234
RESID 886 (L):        H         8.079         8.079         8.396        -0.317
RESID 887 (Y):        N       121.526       121.526       120.237         1.289
RESID 887 (Y):       HA         4.356         4.356         4.189         0.167
RESID 887 (Y):       CA        58.750        58.750        58.816        -0.066
RESID 887 (Y):       CB        38.569        38.569        37.540         1.029
RESID 887 (Y):        H         8.267         8.267         8.192         0.075
RESID 888 (G):        N       112.379       112.379       108.019         4.360
RESID 888 (G):       CA        45.090        45.090        44.766         0.324
RESID 888 (G):        H         8.087         8.087         7.509         0.578
RESID 889 (E):        N       120.255       120.255       120.961        -0.706
RESID 889 (E):       HA         4.256         4.256         4.719        -0.463
RESID 889 (E):       CA        56.445        56.445        55.819         0.626
RESID 889 (E):       CB        30.393        30.393        31.769        -1.376
RESID 889 (E):        H         7.994         7.994         8.504        -0.510
RESID 890 (S):        N       116.375       116.375       117.722        -1.347
RESID 890 (S):       HA         4.415         4.415         4.913        -0.498
RESID 890 (S):       CA        58.204        58.204        57.543         0.661
RESID 890 (S):       CB        63.913        63.913        66.059        -2.146
RESID 890 (S):        H         8.329         8.329         8.670        -0.341
RESID 891 (D):        N       123.017       123.017       120.787         2.230
RESID 891 (D):       HA         4.610         4.610         5.191        -0.581
RESID 891 (D):       CA        54.371        54.371        53.511         0.860
RESID 891 (D):       CB        41.013        41.013        42.468        -1.455
RESID 891 (D):        H         8.394         8.394         8.884        -0.490

                         N          HA           C          CA          CB           H
RESID 743 (I):       1.182       0.202       -----      -1.593       0.702      -0.357
RESID 744 (S):       2.438      -0.134       -----       0.596       0.347       0.263
RESID 745 (Q):      -2.268      -0.158       -----      -0.427      -0.168       0.065
RESID 746 (E):      -0.624      -0.148       -----       1.079      -0.729       1.017
RESID 747 (Q):       0.394      -0.668       -----      -0.463       0.786      -0.639
RESID 748 (M):       3.899      -0.287       -----      -1.090      -1.537       0.186
RESID 749 (N):      -0.730      -0.102       -----       0.027      -1.354       0.615
RESID 750 (E):       3.679      -0.013       -----       0.953      -0.553      -0.651
RESID 751 (F):      -1.807       0.545       -----      -0.261      -2.455       0.522
RESID 752 (R):      -0.709       0.202       -----       1.241       1.291       0.566
RESID 753 (A):      -1.919      -0.183       -----       0.907       0.034       0.187
RESID 754 (S):       0.082       0.363       -----       2.720       0.833       0.670
RESID 755 (F):       3.658      -0.615       -----       2.271       0.975       0.761
RESID 756 (N):       0.931       0.243       -----       3.237      -0.892       1.180
RESID 757 (H):      -0.513      -0.181       -----       0.660      -0.215       0.938
RESID 758 (F):      -3.459      -0.594       -----       2.291      -2.019      -0.022
RESID 759 (D):      -0.889       0.035       -----      -3.048      -2.818      -0.623
RESID 760 (R):      -1.244      -0.328       -----      -0.274      -0.433      -0.520
RESID 761 (D):       0.750      -0.247       -----      -1.302      -1.753      -0.281
RESID 762 (H):      -2.064      -0.184       -----      -0.234      -2.327      -0.322
RESID 763 (S):       1.749      -0.037       -----       0.542       0.918       0.529
RESID 764 (G):       6.283       -----       -----      -0.107       -----       1.986
RESID 765 (T):      -2.366      -0.227       -----      -1.287       1.263      -0.098
RESID 766 (L):       3.385      -0.095       -----      -1.109      -2.263       0.799
RESID 767 (G):       2.852       -----       -----       0.295       -----      -0.058
RESID 768 (P):       -----      -0.240       -----       1.044      -0.254       -----
RESID 769 (E):      -2.851      -0.166       -----       0.687      -0.855      -0.323
RESID 770 (E):       3.001       0.017       -----       0.097       1.424      -0.489
RESID 771 (F):      -4.852       0.123       -----      -2.142      -0.333       0.160
RESID 772 (K):       1.111      -0.427       -----       2.308       1.075       0.534
RESID 773 (A):      -2.378      -0.126       -----       1.211      -1.330      -0.470
RESID 774 (C):       1.410      -0.934       -----      -1.187      -1.076      -0.291
RESID 775 (L):       0.345       0.263       -----       1.303      -0.324       0.556
RESID 776 (I):       2.711       1.618       -----       1.077       0.762       1.673
RESID 777 (S):       6.013       0.159       -----       2.233      -0.188       0.605
RESID 778 (L):       3.906       0.190       -----       1.339       0.393       0.643
RESID 779 (G):      -0.936       -----       -----       0.283       -----       0.710
RESID 780 (Y):       2.729      -0.468       -----       4.467      -0.303       0.670
RESID 781 (D):       5.290       0.063       -----      -1.381      -0.581      -0.181
RESID 782 (I):       9.806      -0.123       -----       0.026      -4.087       0.457
RESID 783 (G):       6.214       -----       -----       0.247       -----      -0.088
RESID 784 (N):       1.281       0.232       -----      -0.993      -1.109      -0.065
RESID 785 (D):      -2.592       0.096       -----      -0.936      -1.117       0.315
RESID 786 (P):       -----       0.049       -----       0.880      -0.148       -----
RESID 787 (Q):       0.530      -0.065       -----       0.906      -0.551       0.038
RESID 788 (G):       4.234       -----       -----       0.442       -----       0.213
RESID 789 (E):      -0.464      -0.098       -----       0.365      -0.272      -0.046
RESID 790 (A):       0.114       0.055       -----      -0.183      -0.547       0.389
RESID 791 (E):       3.426       0.600       -----      -0.609      -0.435       0.356
RESID 792 (F):      -0.989      -0.211       -----       0.854      -0.036      -0.080
RESID 793 (A):      -2.130       0.543       -----       0.345      -0.214       0.213
RESID 794 (R):       1.764      -0.078       -----       0.325      -0.115       0.509
RESID 795 (I):       0.610      -0.333       -----       0.663       0.052       0.281
RESID 796 (M):       1.993       0.159       -----      -1.252      -1.607       0.395
RESID 797 (S):       1.486      -0.232       -----       1.143      -0.633       0.185
RESID 798 (I):       2.855      -0.321       -----       0.373       0.383      -0.183
RESID 799 (V):      -2.245       0.265       -----       1.494       1.924      -0.254
RESID 800 (D):      -1.017       0.106       -----       1.454      -0.111       0.650
RESID 801 (P):       -----      -0.125       -----       0.831      -0.217       -----
RESID 802 (N):      -0.943       0.067       -----       0.169      -1.753       1.154
RESID 803 (R):       1.124      -0.386       -----      -0.070      -0.642      -0.020
RESID 804 (L):       8.066      -0.530       -----       1.774       1.196       2.342
RESID 805 (G):       2.860       -----       -----      -0.889       -----       2.276
RESID 806 (V):      -5.478      -0.100       -----      -1.236       1.701      -0.483
RESID 807 (V):       0.179      -0.335       -----       2.183       0.395       0.325
RESID 808 (T):      -0.705       0.118       -----       2.158       0.041       0.617
RESID 809 (F):       3.930      -0.975       -----       0.813       0.562       1.475
RESID 810 (Q):       0.061      -0.623       -----       0.883      -0.365       0.600
RESID 811 (A):      -1.468      -0.038       -----       1.032       0.567      -0.152
RESID 812 (F):       1.091      -0.312       -----      -0.567       1.147       0.039
RESID 813 (I):       0.260      -0.949       -----       0.674      -0.213       0.481
RESID 814 (D):       2.910      -0.206       -----       0.246      -0.437       0.336
RESID 815 (F):       0.006      -0.419       -----       0.251      -0.032      -0.100
RESID 816 (M):      -3.791      -0.336       -----      -1.858      -1.390       0.157
RESID 817 (S):      -0.202      -0.116       -----      -0.344       0.214      -0.182
RESID 818 (R):       1.801      -0.107       -----       1.514       1.173      -0.920
RESID 819 (E):       1.384       0.074       -----      -1.839       1.561       0.435
RESID 820 (T):       1.643       0.268       -----      -0.926       1.046       0.222
RESID 821 (A):       1.491       0.013       -----      -0.422      -0.786       0.466
RESID 822 (D):       4.733      -0.135       -----       0.479      -2.176       0.391
RESID 823 (T):      -3.723      -0.303       -----       0.525      -2.003       0.141
RESID 824 (D):      -0.068       0.197       -----      -2.213       0.018      -0.394
RESID 825 (T):       3.467      -0.147       -----      -0.950       0.430      -0.373
RESID 826 (A):       0.582       0.050       -----       0.034       0.321       0.853
RESID 827 (D):      -0.178       0.055       -----      -0.936      -0.546       0.429
RESID 828 (Q):       2.183       0.002       -----      -0.410      -0.288       0.334
RESID 829 (V):      -0.422      -0.270       -----       0.915       0.177       0.642
RESID 830 (M):       0.819       0.085       -----       0.054       0.346       0.351
RESID 831 (A):       0.406       0.693       -----       0.552       0.235       0.532
RESID 832 (S):      -1.314       0.134       -----      -0.344      -0.211       0.392
RESID 833 (F):       2.890      -0.401       -----       1.351       0.913       0.144
RESID 834 (K):      -1.609      -0.156       -----       1.281       0.117      -0.176
RESID 835 (I):      -1.553       0.014       -----      -0.872      -0.077       0.073
RESID 836 (L):       2.362       0.145       -----      -0.201       0.485      -0.256
RESID 837 (A):       0.738       0.002       -----      -0.660       0.486       0.636
RESID 838 (G):       0.570       -----       -----       0.013       -----      -0.809
RESID 839 (D):      -2.119      -0.228       -----       0.578      -1.157       0.663
RESID 840 (K):      -3.151      -0.144       -----       0.084       0.366       0.094
RESID 841 (N):       0.503       0.067       -----      -0.697       0.054      -0.220
RESID 842 (Y):      -1.137       0.314       -----      -1.293       0.359      -0.559
RESID 843 (I):      -6.707       0.277       -----       0.517       0.358      -0.662
RESID 844 (T):      -1.793       0.160       -----      -0.423       0.371      -0.063
RESID 845 (M):      -0.548      -0.210       -----      -0.035       0.863      -0.317
RESID 846 (D):      -1.122      -0.151       -----       0.524       0.005      -0.336
RESID 847 (E):       2.135      -0.314       -----       0.999      -0.490       0.304
RESID 848 (L):      -0.792      -0.264       -----       0.989       0.304       0.299
RESID 849 (R):      -0.706      -0.516       -----       1.727       0.863       0.225
RESID 850 (R):      -0.497      -0.226       -----       0.838      -0.610      -0.174
RESID 851 (E):      -3.880      -0.004       -----      -0.633       0.259      -0.164
RESID 852 (L):      -2.383      -0.181       -----       0.713       0.361       0.117
RESID 853 (P):       -----      -0.130       -----       1.200       1.286       -----
RESID 854 (P):       -----      -0.252       -----       4.544      -1.059       -----
RESID 855 (D):      -4.198       0.017       -----       0.117      -0.982       0.479
RESID 856 (Q):       2.489      -0.129       -----      -1.069       0.902      -0.960
RESID 857 (A):       0.725      -0.202       -----       0.442      -0.235       0.779
RESID 858 (E):      -4.815       0.006       -----      -0.112      -0.349       0.249
RESID 859 (Y):      -1.472      -0.091       -----      -0.128       0.498      -0.582
RESID 860 (C):      -1.424       0.724       -----       0.275       0.300       0.239
RESID 861 (I):       0.162      -0.312       -----       0.259       1.068       0.418
RESID 862 (A):      -5.879       0.207       -----      -1.538       0.449      -0.995
RESID 863 (R):       2.558      -0.291       -----      -0.137       0.598      -0.265
RESID 864 (M):      -0.891       0.099       -----      -0.809       3.165      -0.160
RESID 865 (A):      -0.675      -0.870       -----      -0.199       0.081       0.401
RESID 866 (P):       -----      -0.017       -----      -0.117       1.667       -----
RESID 867 (Y):      -4.729       0.293       -----      -0.460       0.652      -0.010
RESID 868 (T):       -----      -0.064       -----      -0.323      -2.117       -----
RESID 869 (G):       -----       -----       -----      -0.389       -----       -----
RESID 870 (P):       -----      -0.148       -----       0.708      -0.368       -----
RESID 871 (D):       0.173      -0.012       -----      -1.924      -1.920       0.952
RESID 872 (S):      -2.552      -0.598       -----       0.795      -1.441      -0.078
RESID 873 (V):       0.479       0.094       -----       0.521      -0.760      -1.424
RESID 874 (P):       -----      -0.119       -----       0.670      -0.248       -----
RESID 875 (G):       1.344       -----       -----       0.501       -----       0.280
RESID 876 (A):      -2.264      -1.477       -----       2.576      -1.281       0.154
RESID 877 (L):       4.373      -0.478       -----       0.482      -2.312       0.231
RESID 878 (D):      -1.714       0.415       -----      -0.382      -0.661       0.928
RESID 879 (Y):       3.076       0.774       -----      -0.271      -0.045      -0.435
RESID 880 (M):       5.269      -0.037       -----      -1.032      -2.857       0.339
RESID 881 (S):      -1.244      -0.160       -----       1.938       0.687      -0.046
RESID 882 (F):       2.280       0.353       -----       1.845       1.285       0.084
RESID 883 (S):       2.772      -0.038       -----      -1.231       0.908      -0.831
RESID 884 (T):      -5.396      -0.060       -----       0.496      -0.041       0.192
RESID 885 (A):       1.418      -0.264       -----       0.932      -0.999       0.423
RESID 886 (L):      -2.015      -0.143       -----       0.694      -0.234      -0.317
RESID 887 (Y):       1.289       0.167       -----      -0.066       1.029       0.075
RESID 888 (G):       4.360       -----       -----       0.324       -----       0.578
RESID 889 (E):      -0.706      -0.463       -----       0.626      -1.376      -0.510
RESID 890 (S):      -1.347      -0.498       -----       0.661      -2.146      -0.341
RESID 891 (D):       2.230      -0.581       -----       0.860      -1.455      -0.490

DATA CS_STAT_INFO  N  RMS:   2.802 ppm Count: 139 Average Difference: -0.350 +/- 2.791 ppm
DATA CS_STAT_INFO  HA RMS:   0.368 ppm Count: 160 Average Difference:  0.058 +/- 0.365 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   1.212 ppm Count: 150 Average Difference: -0.258 +/- 1.188 ppm
DATA CS_STAT_INFO  CB RMS:   1.114 ppm Count: 140 Average Difference:  0.189 +/- 1.102 ppm
DATA CS_STAT_INFO  HN RMS:   0.612 ppm Count: 139 Average Difference: -0.175 +/- 0.588 ppm


############################################################################
For conformer 15:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 742 (S):       HA         4.525         4.525         4.190         0.335
RESID 742 (S):       CA        58.148        58.148        60.946        -2.797
RESID 742 (S):       CB        63.791        63.791        63.157         0.634
RESID 743 (I):        N       122.172       122.172       120.657         1.515
RESID 743 (I):       HA         4.362         4.362         4.402        -0.040
RESID 743 (I):       CA        60.421        60.421        59.824         0.597
RESID 743 (I):       CB        39.166        39.166        40.779        -1.613
RESID 743 (I):        H         8.132         8.132         7.775         0.357
RESID 744 (S):        N       123.144       123.144       122.108         1.036
RESID 744 (S):       HA         4.449         4.449         4.789        -0.340
RESID 744 (S):       CA        57.463        57.463        56.579         0.884
RESID 744 (S):       CB        65.219        65.219        65.468        -0.249
RESID 744 (S):        H         8.848         8.848         8.633         0.215
RESID 745 (Q):        N       121.619       121.619       121.519         0.100
RESID 745 (Q):       HA         3.952         3.952         4.118        -0.166
RESID 745 (Q):       CA        58.768        58.768        59.269        -0.500
RESID 745 (Q):       CB        28.512        28.512        28.595        -0.083
RESID 745 (Q):        H         9.042         9.042         9.133        -0.091
RESID 746 (E):        N       118.648       118.648       119.426        -0.778
RESID 746 (E):       HA         4.004         4.004         4.115        -0.111
RESID 746 (E):       CA        60.223        60.223        59.059         1.164
RESID 746 (E):       CB        28.854        28.854        29.212        -0.358
RESID 746 (E):        H         8.721         8.721         8.517         0.204
RESID 747 (Q):        N       120.463       120.463       120.149         0.314
RESID 747 (Q):       HA         3.766         3.766         4.125        -0.359
RESID 747 (Q):       CA        58.306        58.306        58.768        -0.462
RESID 747 (Q):       CB        28.948        28.948        28.619         0.329
RESID 747 (Q):        H         7.838         7.838         8.369        -0.531
RESID 748 (M):        N       119.252       119.252       116.186         3.066
RESID 748 (M):       HA         4.200         4.200         4.494        -0.294
RESID 748 (M):       CA        58.096        58.096        58.692        -0.596
RESID 748 (M):       CB        30.900        30.900        32.346        -1.446
RESID 748 (M):        H         8.473         8.473         8.158         0.315
RESID 749 (N):        N       117.740       117.740       119.239        -1.499
RESID 749 (N):       HA         4.474         4.474         4.431         0.043
RESID 749 (N):       CA        55.795        55.795        56.356        -0.561
RESID 749 (N):       CB        37.413        37.413        38.738        -1.325
RESID 749 (N):        H         8.334         8.334         7.887         0.447
RESID 750 (E):        N       122.848       122.848       119.576         3.272
RESID 750 (E):       HA         4.204         4.204         4.127         0.077
RESID 750 (E):       CA        59.341        59.341        58.490         0.850
RESID 750 (E):       CB        29.184        29.184        29.491        -0.307
RESID 750 (E):        H         7.838         7.838         8.326        -0.488
RESID 751 (F):        N       120.177       120.177       123.179        -3.002
RESID 751 (F):       HA         5.021         5.021         4.312         0.709
RESID 751 (F):       CA        58.353        58.353        59.602        -1.249
RESID 751 (F):       CB        37.797        37.797        39.349        -1.552
RESID 751 (F):        H         8.785         8.785         8.654         0.131
RESID 752 (R):        N       120.528       120.528       119.972         0.556
RESID 752 (R):       HA         4.160         4.160         3.855         0.305
RESID 752 (R):       CA        59.704        59.704        58.328         1.376
RESID 752 (R):       CB        29.968        29.968        28.663         1.304
RESID 752 (R):        H         9.016         9.016         8.149         0.867
RESID 753 (A):        N       121.112       121.112       122.429        -1.317
RESID 753 (A):       HA         4.245         4.245         4.492        -0.247
RESID 753 (A):       CA        55.331        55.331        54.511         0.820
RESID 753 (A):       CB        17.823        17.823        17.863        -0.040
RESID 753 (A):        H         8.100         8.100         7.920         0.180
RESID 754 (S):        N       115.589       115.589       115.360         0.229
RESID 754 (S):       HA         4.452         4.452         4.246         0.206
RESID 754 (S):       CA        62.675        62.675        60.144         2.531
RESID 754 (S):       CB        63.359        63.359        62.762         0.597
RESID 754 (S):        H         8.391         8.391         7.908         0.483
RESID 755 (F):        N       121.886       121.886       119.173         2.713
RESID 755 (F):       HA         3.642         3.642         4.162        -0.520
RESID 755 (F):       CA        61.964        61.964        59.252         2.712
RESID 755 (F):       CB        39.822        39.822        38.688         1.134
RESID 755 (F):        H         8.675         8.675         7.787         0.888
RESID 756 (N):        N       113.618       113.618       113.798        -0.180
RESID 756 (N):       HA         4.427         4.427         4.358         0.069
RESID 756 (N):       CA        55.611        55.611        53.020         2.591
RESID 756 (N):       CB        37.838        37.838        38.889        -1.051
RESID 756 (N):        H         8.593         8.593         7.679         0.914
RESID 757 (H):        N       119.679       119.679       120.579        -0.900
RESID 757 (H):       HA         4.079         4.079         4.279        -0.200
RESID 757 (H):       CA        59.344        59.344        59.751        -0.407
RESID 757 (H):       CB        29.889        29.889        30.260        -0.371
RESID 757 (H):        H         8.139         8.139         7.583         0.556
RESID 758 (F):        N       113.051       113.051       116.429        -3.378
RESID 758 (F):       HA         4.061         4.061         4.594        -0.533
RESID 758 (F):       CA        60.697        60.697        58.516         2.181
RESID 758 (F):       CB        38.735        38.735        40.572        -1.837
RESID 758 (F):        H         7.585         7.585         7.597        -0.012
RESID 759 (D):        N       120.916       120.916       121.260        -0.344
RESID 759 (D):       HA         4.509         4.509         4.525        -0.016
RESID 759 (D):       CA        52.171        52.171        54.956        -2.785
RESID 759 (D):       CB        38.009        38.009        40.493        -2.484
RESID 759 (D):        H         7.423         7.423         7.964        -0.541
RESID 760 (R):        N       124.819       124.819       126.907        -2.088
RESID 760 (R):       HA         3.768         3.768         4.062        -0.294
RESID 760 (R):       CA        58.275        58.275        58.775        -0.500
RESID 760 (R):       CB        30.249        30.249        30.566        -0.317
RESID 760 (R):        H         7.781         7.781         8.462        -0.681
RESID 761 (D):        N       113.673       113.673       114.828        -1.155
RESID 761 (D):       HA         4.483         4.483         4.596        -0.113
RESID 761 (D):       CA        51.977        51.977        53.060        -1.083
RESID 761 (D):       CB        39.522        39.522        40.077        -0.555
RESID 761 (D):        H         7.821         7.821         8.021        -0.200
RESID 762 (H):        N       114.966       114.966       113.898         1.068
RESID 762 (H):       HA         4.161         4.161         4.245        -0.084
RESID 762 (H):       CA        56.618        56.618        56.525         0.093
RESID 762 (H):       CB        26.380        26.380        27.173        -0.793
RESID 762 (H):        H         7.744         7.744         7.756        -0.012
RESID 763 (S):        N       115.077       115.077       114.983         0.094
RESID 763 (S):       HA         4.336         4.336         4.254         0.082
RESID 763 (S):       CA        59.860        59.860        59.800         0.060
RESID 763 (S):       CB        65.192        65.192        63.968         1.224
RESID 763 (S):        H         8.726         8.726         8.502         0.224
RESID 764 (G):        N       116.915       116.915       110.673         6.242
RESID 764 (G):       CA        45.449        45.449        45.522        -0.073
RESID 764 (G):        H        11.017        11.017         9.059         1.958
RESID 765 (T):        N       107.334       107.334       110.294        -2.960
RESID 765 (T):       HA         4.829         4.829         5.126        -0.297
RESID 765 (T):       CA        58.759        58.759        60.694        -1.935
RESID 765 (T):       CB        73.383        73.383        72.317         1.066
RESID 765 (T):        H         7.693         7.693         7.904        -0.211
RESID 766 (L):        N       124.664       124.664       124.873        -0.209
RESID 766 (L):       HA         4.900         4.900         4.630         0.270
RESID 766 (L):       CA        52.339        52.339        54.118        -1.780
RESID 766 (L):       CB        42.339        42.339        43.321        -0.982
RESID 766 (L):        H         9.209         9.209         8.587         0.622
RESID 767 (G):        N       112.024       112.024       111.647         0.377
RESID 767 (G):       CA        44.123        44.123        43.788         0.335
RESID 767 (G):        H         8.910         8.910         9.079        -0.169
RESID 768 (P):       HA         4.318         4.318         4.606        -0.288
RESID 768 (P):       CA        67.127        67.127        66.058         1.069
RESID 768 (P):       CB        32.029        32.029        32.077        -0.048
RESID 769 (E):        N       115.246       115.246       118.316        -3.070
RESID 769 (E):       HA         3.971         3.971         4.018        -0.047
RESID 769 (E):       CA        59.621        59.621        59.752        -0.131
RESID 769 (E):       CB        28.628        28.628        29.034        -0.406
RESID 769 (E):        H         8.622         8.622         9.025        -0.403
RESID 770 (E):        N       121.127       121.127       119.976         1.151
RESID 770 (E):       HA         4.272         4.272         4.174         0.098
RESID 770 (E):       CA        58.497        58.497        58.969        -0.472
RESID 770 (E):       CB        31.372        31.372        29.922         1.450
RESID 770 (E):        H         7.493         7.493         7.955        -0.462
RESID 771 (F):        N       117.688       117.688       122.023        -4.335
RESID 771 (F):       HA         4.355         4.355         4.308         0.047
RESID 771 (F):       CA        58.625        58.625        60.658        -2.034
RESID 771 (F):       CB        38.810        38.810        39.459        -0.649
RESID 771 (F):        H         9.110         9.110         8.995         0.115
RESID 772 (K):        N       119.789       119.789       118.504         1.285
RESID 772 (K):       HA         3.313         3.313         3.678        -0.365
RESID 772 (K):       CA        60.672        60.672        58.263         2.409
RESID 772 (K):       CB        31.979        31.979        30.951         1.028
RESID 772 (K):        H         8.594         8.594         8.007         0.587
RESID 773 (A):        N       118.461       118.461       120.640        -2.179
RESID 773 (A):       HA         3.881         3.881         4.059        -0.178
RESID 773 (A):       CA        55.013        55.013        53.771         1.242
RESID 773 (A):       CB        17.629        17.629        18.941        -1.312
RESID 773 (A):        H         7.231         7.231         7.521        -0.290
RESID 774 (C):        N       120.913       120.913       119.402         1.511
RESID 774 (C):       HA         2.435         2.435         2.762        -0.327
RESID 774 (C):       CA        61.174        61.174        61.316        -0.143
RESID 774 (C):       CB        26.215        26.215        26.314        -0.099
RESID 774 (C):        H         7.498         7.498         7.686        -0.188
RESID 775 (L):        N       119.201       119.201       119.220        -0.019
RESID 775 (L):       HA         3.766         3.766         3.576         0.190
RESID 775 (L):       CA        57.932        57.932        56.677         1.255
RESID 775 (L):       CB        40.950        40.950        41.363        -0.413
RESID 775 (L):        H         8.372         8.372         7.603         0.769
RESID 776 (I):        N       121.051       121.051       118.265         2.786
RESID 776 (I):       HA         4.090         4.090         2.426         1.664
RESID 776 (I):       CA        65.244        65.244        64.275         0.969
RESID 776 (I):       CB        37.991        37.991        37.174         0.817
RESID 776 (I):        H         8.358         8.358         6.687         1.671
RESID 777 (S):        N       119.109       119.109       112.950         6.159
RESID 777 (S):       HA         4.291         4.291         4.228         0.063
RESID 777 (S):       CA        61.725        61.725        59.813         1.912
RESID 777 (S):       CB        62.995        62.995        63.057        -0.062
RESID 777 (S):        H         7.822         7.822         7.390         0.432
RESID 778 (L):        N       121.208       121.208       118.357         2.851
RESID 778 (L):       HA         4.506         4.506         4.345         0.161
RESID 778 (L):       CA        54.999        54.999        53.846         1.153
RESID 778 (L):       CB        42.670        42.670        42.042         0.628
RESID 778 (L):        H         7.671         7.671         7.044         0.627
RESID 779 (G):        N       106.232       106.232       107.148        -0.916
RESID 779 (G):       CA        45.287        45.287        45.141         0.146
RESID 779 (G):        H         7.897         7.897         7.347         0.550
RESID 780 (Y):        N       120.772       120.772       119.106         1.666
RESID 780 (Y):       HA         4.142         4.142         4.628        -0.486
RESID 780 (Y):       CA        59.231        59.231        55.054         4.176
RESID 780 (Y):       CB        38.341        38.341        38.677        -0.336
RESID 780 (Y):        H         8.072         8.072         7.488         0.584
RESID 781 (D):        N       124.304       124.304       117.893         6.411
RESID 781 (D):       HA         4.665         4.665         4.671        -0.006
RESID 781 (D):       CA        53.148        53.148        53.892        -0.744
RESID 781 (D):       CB        39.804        39.804        40.843        -1.039
RESID 781 (D):        H         8.862         8.862         9.037        -0.175
RESID 782 (I):        N       122.271       122.271       113.264         9.007
RESID 782 (I):       HA         4.341         4.341         4.422        -0.081
RESID 782 (I):       CA        58.992        58.992        59.220        -0.228
RESID 782 (I):       CB        37.907        37.907        40.376        -2.469
RESID 782 (I):        H         7.344         7.344         6.926         0.418
RESID 783 (G):        N       112.322       112.322       105.229         7.093
RESID 783 (G):       CA        44.523        44.523        44.578        -0.056
RESID 783 (G):        H         8.122         8.122         8.140        -0.018
RESID 784 (N):        N       118.727       118.727       116.805         1.922
RESID 784 (N):       HA         4.882         4.882         4.802         0.080
RESID 784 (N):       CA        52.098        52.098        53.041        -0.943
RESID 784 (N):       CB        37.424        37.424        38.051        -0.627
RESID 784 (N):        H         8.452         8.452         8.571        -0.119
RESID 785 (D):        N       119.826       119.826       121.193        -1.367
RESID 785 (D):       HA         4.778         4.778         4.844        -0.066
RESID 785 (D):       CA        52.164        52.164        52.351        -0.187
RESID 785 (D):       CB        39.657        39.657        41.803        -2.147
RESID 785 (D):        H         8.145         8.145         7.561         0.584
RESID 786 (P):       HA         4.271         4.271         4.219         0.052
RESID 786 (P):       CA        66.265        66.265        65.282         0.983
RESID 786 (P):       CB        32.011        32.011        32.096        -0.085
RESID 787 (Q):        N       118.097       118.097       117.045         1.052
RESID 787 (Q):       HA         4.141         4.141         4.259        -0.118
RESID 787 (Q):       CA        59.115        59.115        57.911         1.204
RESID 787 (Q):       CB        27.732        27.732        28.112        -0.380
RESID 787 (Q):        H         8.409         8.409         8.466        -0.057
RESID 788 (G):        N       113.421       113.421       108.833         4.588
RESID 788 (G):       CA        47.317        47.317        46.551         0.766
RESID 788 (G):        H         8.644         8.644         8.464         0.180
RESID 789 (E):        N       121.223       121.223       121.770        -0.547
RESID 789 (E):       HA         4.148         4.148         4.263        -0.115
RESID 789 (E):       CA        59.344        59.344        59.476        -0.132
RESID 789 (E):       CB        29.435        29.435        29.367         0.068
RESID 789 (E):        H         8.514         8.514         8.387         0.127
RESID 790 (A):        N       122.879       122.879       122.117         0.762
RESID 790 (A):       HA         4.247         4.247         4.199         0.048
RESID 790 (A):       CA        54.907        54.907        55.140        -0.233
RESID 790 (A):       CB        17.780        17.780        18.406        -0.626
RESID 790 (A):        H         8.024         8.024         7.576         0.448
RESID 791 (E):        N       122.622       122.622       118.836         3.786
RESID 791 (E):       HA         4.687         4.687         4.121         0.566
RESID 791 (E):       CA        58.134        58.134        58.433        -0.299
RESID 791 (E):       CB        29.061        29.061        29.483        -0.422
RESID 791 (E):        H         8.280         8.280         7.597         0.683
RESID 792 (F):        N       119.949       119.949       121.512        -1.563
RESID 792 (F):       HA         4.038         4.038         4.209        -0.171
RESID 792 (F):       CA        61.812        61.812        61.122         0.690
RESID 792 (F):       CB        38.598        38.598        38.525         0.073
RESID 792 (F):        H         8.722         8.722         8.821        -0.099
RESID 793 (A):        N       119.652       119.652       121.152        -1.500
RESID 793 (A):       HA         3.854         3.854         3.271         0.583
RESID 793 (A):       CA        54.902        54.902        54.417         0.485
RESID 793 (A):       CB        17.628        17.628        17.835        -0.207
RESID 793 (A):        H         8.163         8.163         7.826         0.337
RESID 794 (R):        N       121.092       121.092       119.012         2.080
RESID 794 (R):       HA         3.910         3.910         4.027        -0.117
RESID 794 (R):       CA        59.471        59.471        58.948         0.523
RESID 794 (R):       CB        30.092        30.092        30.253        -0.162
RESID 794 (R):        H         8.034         8.034         7.468         0.566
RESID 795 (I):        N       121.394       121.394       119.092         2.302
RESID 795 (I):       HA         3.388         3.388         3.903        -0.515
RESID 795 (I):       CA        65.848        65.848        64.525         1.323
RESID 795 (I):       CB        38.209        38.209        38.621        -0.412
RESID 795 (I):        H         8.049         8.049         7.719         0.330
RESID 796 (M):        N       119.012       119.012       118.486         0.526
RESID 796 (M):       HA         4.155         4.155         3.912         0.243
RESID 796 (M):       CA        56.470        56.470        57.977        -1.507
RESID 796 (M):       CB        29.892        29.892        31.623        -1.731
RESID 796 (M):        H         8.589         8.589         8.160         0.429
RESID 797 (S):        N       114.132       114.132       112.484         1.648
RESID 797 (S):       HA         4.097         4.097         4.298        -0.201
RESID 797 (S):       CA        61.231        61.231        60.213         1.018
RESID 797 (S):       CB        62.895        62.895        63.875        -0.980
RESID 797 (S):        H         7.732         7.732         7.589         0.143
RESID 798 (I):        N       120.873       120.873       116.679         4.194
RESID 798 (I):       HA         3.818         3.818         4.255        -0.437
RESID 798 (I):       CA        63.875        63.875        63.601         0.274
RESID 798 (I):       CB        38.863        38.863        38.508         0.355
RESID 798 (I):        H         7.352         7.352         7.964        -0.612
RESID 799 (V):        N       110.552       110.552       119.468        -8.916
RESID 799 (V):       HA         4.243         4.243         3.815         0.428
RESID 799 (V):       CA        62.616        62.616        62.054         0.562
RESID 799 (V):       CB        32.416        32.416        31.634         0.782
RESID 799 (V):        H         7.648         7.648         7.649        -0.001
RESID 800 (D):        N       119.435       119.435       117.703         1.732
RESID 800 (D):       HA         5.225         5.225         5.086         0.139
RESID 800 (D):       CA        51.715        51.715        50.070         1.645
RESID 800 (D):       CB        41.086        41.086        41.147        -0.061
RESID 800 (D):        H         8.074         8.074         7.561         0.513
RESID 801 (P):       HA         4.331         4.331         4.419        -0.088
RESID 801 (P):       CA        64.819        64.819        63.753         1.066
RESID 801 (P):       CB        31.689        31.689        32.029        -0.340
RESID 802 (N):        N       115.164       115.164       116.576        -1.412
RESID 802 (N):       HA         4.760         4.760         4.707         0.053
RESID 802 (N):       CA        52.998        52.998        52.746         0.252
RESID 802 (N):       CB        37.952        37.952        39.705        -1.753
RESID 802 (N):        H         8.949         8.949         7.634         1.315
RESID 803 (R):        N       117.446       117.446       116.119         1.327
RESID 803 (R):       HA         3.830         3.830         4.228        -0.398
RESID 803 (R):       CA        56.888        56.888        56.874         0.014
RESID 803 (R):       CB        26.354        26.354        27.136        -0.782
RESID 803 (R):        H         7.958         7.958         7.871         0.087
RESID 804 (L):        N       123.307       123.307       116.769         6.538
RESID 804 (L):       HA         4.156         4.156         4.692        -0.536
RESID 804 (L):       CA        56.373        56.373        54.390         1.983
RESID 804 (L):       CB        42.930        42.930        41.686         1.244
RESID 804 (L):        H        10.591        10.591         8.027         2.564
RESID 805 (G):        N       110.516       110.516       107.475         3.041
RESID 805 (G):       CA        44.944        44.944        45.770        -0.827
RESID 805 (G):        H        11.001        11.001         8.548         2.453
RESID 806 (V):        N       109.840       109.840       115.409        -5.569
RESID 806 (V):       HA         4.571         4.571         4.343         0.228
RESID 806 (V):       CA        58.566        58.566        60.159        -1.593
RESID 806 (V):       CB        36.853        36.853        34.898         1.955
RESID 806 (V):        H         6.831         6.831         7.094        -0.263
RESID 807 (V):        N       122.184       122.184       122.216        -0.032
RESID 807 (V):       HA         4.167         4.167         4.638        -0.471
RESID 807 (V):       CA        61.644        61.644        60.751         0.893
RESID 807 (V):       CB        32.383        32.383        31.239         1.144
RESID 807 (V):        H         9.007         9.007         8.921         0.086
RESID 808 (T):        N       117.391       117.391       117.530        -0.139
RESID 808 (T):       HA         4.593         4.593         4.582         0.011
RESID 808 (T):       CA        60.615        60.615        58.876         1.739
RESID 808 (T):       CB        70.695        70.695        71.497        -0.802
RESID 808 (T):        H         7.925         7.925         7.465         0.460
RESID 809 (F):        N       122.236       122.236       118.359         3.877
RESID 809 (F):       HA         3.640         3.640         4.678        -1.038
RESID 809 (F):       CA        61.749        61.749        60.839         0.910
RESID 809 (F):       CB        38.177        38.177        37.689         0.488
RESID 809 (F):        H         9.349         9.349         7.896         1.453
RESID 810 (Q):        N       116.788       116.788       116.637         0.151
RESID 810 (Q):       HA         3.598         3.598         4.251        -0.653
RESID 810 (Q):       CA        58.582        58.582        57.489         1.093
RESID 810 (Q):       CB        28.199        28.199        28.594        -0.395
RESID 810 (Q):        H         8.572         8.572         7.731         0.841
RESID 811 (A):        N       121.208       121.208       122.407        -1.199
RESID 811 (A):       HA         4.119         4.119         4.172        -0.053
RESID 811 (A):       CA        54.911        54.911        53.695         1.216
RESID 811 (A):       CB        19.265        19.265        19.114         0.151
RESID 811 (A):        H         7.667         7.667         7.413         0.254
RESID 812 (F):        N       119.805       119.805       118.036         1.769
RESID 812 (F):       HA         3.980         3.980         4.288        -0.308
RESID 812 (F):       CA        61.740        61.740        62.098        -0.358
RESID 812 (F):       CB        39.670        39.670        38.286         1.384
RESID 812 (F):        H         8.400         8.400         7.891         0.509
RESID 813 (I):        N       118.098       118.098       118.678        -0.580
RESID 813 (I):       HA         3.146         3.146         4.014        -0.868
RESID 813 (I):       CA        63.299        63.299        62.831         0.468
RESID 813 (I):       CB        36.202        36.202        36.447        -0.244
RESID 813 (I):        H         8.364         8.364         7.851         0.513
RESID 814 (D):        N       123.528       123.528       120.478         3.050
RESID 814 (D):       HA         4.196         4.196         4.372        -0.176
RESID 814 (D):       CA        57.680        57.680        57.840        -0.160
RESID 814 (D):       CB        40.236        40.236        40.783        -0.547
RESID 814 (D):        H         8.221         8.221         8.592        -0.371
RESID 815 (F):        N       120.584       120.584       120.568         0.016
RESID 815 (F):       HA         4.129         4.129         4.464        -0.335
RESID 815 (F):       CA        61.084        61.084        60.860         0.224
RESID 815 (F):       CB        39.698        39.698        39.584         0.114
RESID 815 (F):        H         7.887         7.887         7.953        -0.066
RESID 816 (M):        N       116.960       116.960       120.216        -3.256
RESID 816 (M):       HA         3.782         3.782         4.072        -0.290
RESID 816 (M):       CA        55.662        55.662        57.165        -1.503
RESID 816 (M):       CB        30.033        30.033        31.284        -1.251
RESID 816 (M):        H         8.372         8.372         8.271         0.101
RESID 817 (S):        N       114.277       114.277       115.421        -1.144
RESID 817 (S):       HA         4.194         4.194         4.271        -0.077
RESID 817 (S):       CA        60.521        60.521        60.951        -0.430
RESID 817 (S):       CB        63.185        63.185        62.784         0.401
RESID 817 (S):        H         8.074         8.074         8.559        -0.485
RESID 818 (R):        N       121.493       121.493       119.754         1.739
RESID 818 (R):       HA         4.124         4.124         4.165        -0.041
RESID 818 (R):       CA        57.684        57.684        56.677         1.007
RESID 818 (R):       CB        30.315        30.315        29.060         1.255
RESID 818 (R):        H         7.288         7.288         8.084        -0.796
RESID 819 (E):        N       119.737       119.737       119.035         0.702
RESID 819 (E):       HA         4.101         4.101         4.099         0.002
RESID 819 (E):       CA        57.066        57.066        58.714        -1.648
RESID 819 (E):       CB        30.491        30.491        28.803         1.688
RESID 819 (E):        H         8.045         8.045         7.562         0.483
RESID 820 (T):        N       112.128       112.128       109.609         2.519
RESID 820 (T):       HA         4.280         4.280         2.982         1.298
RESID 820 (T):       CA        62.055        62.055        63.394        -1.339
RESID 820 (T):       CB        69.828        69.828        68.437         1.391
RESID 820 (T):        H         7.760         7.760         7.332         0.428
RESID 821 (A):        N       126.098       126.098       123.624         2.474
RESID 821 (A):       HA         4.284         4.284         4.240         0.044
RESID 821 (A):       CA        52.726        52.726        51.472         1.254
RESID 821 (A):       CB        19.304        19.304        19.453        -0.149
RESID 821 (A):        H         7.957         7.957         7.389         0.568
RESID 822 (D):        N       119.904       119.904       118.969         0.935
RESID 822 (D):       HA         4.613         4.613         4.922        -0.309
RESID 822 (D):       CA        54.335        54.335        53.719         0.616
RESID 822 (D):       CB        41.032        41.032        42.510        -1.478
RESID 822 (D):        H         8.352         8.352         8.331         0.021
RESID 823 (T):        N       114.142       114.142       117.055        -2.913
RESID 823 (T):       HA         4.278         4.278         4.638        -0.360
RESID 823 (T):       CA        62.117        62.117        61.480         0.637
RESID 823 (T):       CB        69.584        69.584        72.266        -2.682
RESID 823 (T):        H         8.079         8.079         8.342        -0.263
RESID 824 (D):        N       123.261       123.261       123.842        -0.581
RESID 824 (D):       HA         4.657         4.657         4.525         0.132
RESID 824 (D):       CA        54.786        54.786        56.773        -1.987
RESID 824 (D):       CB        41.085        41.085        40.985         0.100
RESID 824 (D):        H         8.431         8.431         9.019        -0.588
RESID 825 (T):        N       114.932       114.932       111.168         3.764
RESID 825 (T):       HA         4.161         4.161         4.334        -0.173
RESID 825 (T):       CA        63.109        63.109        63.606        -0.497
RESID 825 (T):       CB        69.455        69.455        68.906         0.549
RESID 825 (T):        H         8.155         8.155         8.468        -0.313
RESID 826 (A):        N       124.961       124.961       124.724         0.237
RESID 826 (A):       HA         4.160         4.160         4.082         0.078
RESID 826 (A):       CA        54.392        54.392        54.651        -0.259
RESID 826 (A):       CB        18.610        18.610        18.520         0.090
RESID 826 (A):        H         8.379         8.379         7.548         0.831
RESID 827 (D):        N       117.765       117.765       117.879        -0.114
RESID 827 (D):       HA         4.425         4.425         4.412         0.013
RESID 827 (D):       CA        56.051        56.051        57.370        -1.319
RESID 827 (D):       CB        40.559        40.559        40.994        -0.435
RESID 827 (D):        H         8.250         8.250         7.980         0.270
RESID 828 (Q):        N       120.523       120.523       118.045         2.478
RESID 828 (Q):       HA         4.091         4.091         4.086         0.005
RESID 828 (Q):       CA        57.814        57.814        58.321        -0.507
RESID 828 (Q):       CB        28.549        28.549        28.708        -0.159
RESID 828 (Q):        H         8.076         8.076         7.787         0.289
RESID 829 (V):        N       120.970       120.970       120.631         0.339
RESID 829 (V):       HA         3.525         3.525         3.773        -0.248
RESID 829 (V):       CA        65.194        65.194        64.277         0.917
RESID 829 (V):       CB        31.541        31.541        31.950        -0.409
RESID 829 (V):        H         8.051         8.051         7.283         0.768
RESID 830 (M):        N       119.572       119.572       117.494         2.078
RESID 830 (M):       HA         4.006         4.006         3.110         0.896
RESID 830 (M):       CA        57.977        57.977        57.332         0.645
RESID 830 (M):       CB        31.995        31.995        31.412         0.583
RESID 830 (M):        H         8.110         8.110         7.961         0.149
RESID 831 (A):        N       121.059       121.059       122.516        -1.457
RESID 831 (A):       HA         4.045         4.045         3.967         0.078
RESID 831 (A):       CA        54.501        54.501        54.341         0.160
RESID 831 (A):       CB        18.067        18.067        17.795         0.272
RESID 831 (A):        H         7.836         7.836         7.392         0.444
RESID 832 (S):        N       114.256       114.256       116.026        -1.770
RESID 832 (S):       HA         4.141         4.141         4.069         0.072
RESID 832 (S):       CA        60.845        60.845        61.633        -0.788
RESID 832 (S):       CB        62.613        62.613        62.796        -0.183
RESID 832 (S):        H         7.714         7.714         7.442         0.272
RESID 833 (F):        N       121.847       121.847       119.704         2.143
RESID 833 (F):       HA         3.823         3.823         4.199        -0.376
RESID 833 (F):       CA        58.627        58.627        57.715         0.912
RESID 833 (F):       CB        38.127        38.127        37.606         0.521
RESID 833 (F):        H         7.740         7.740         7.716         0.024
RESID 834 (K):        N       118.759       118.759       120.274        -1.515
RESID 834 (K):       HA         3.589         3.589         3.475         0.114
RESID 834 (K):       CA        59.384        59.384        58.268         1.116
RESID 834 (K):       CB        32.143        32.143        31.773         0.370
RESID 834 (K):        H         7.843         7.843         7.729         0.114
RESID 835 (I):        N       118.537       118.537       120.059        -1.522
RESID 835 (I):       HA         3.736         3.736         3.726         0.010
RESID 835 (I):       CA        63.714        63.714        64.721        -1.006
RESID 835 (I):       CB        37.825        37.825        38.021        -0.196
RESID 835 (I):        H         7.315         7.315         7.370        -0.055
RESID 836 (L):        N       121.201       121.201       119.803         1.398
RESID 836 (L):       HA         3.955         3.955         3.922         0.033
RESID 836 (L):       CA        57.074        57.074        56.931         0.143
RESID 836 (L):       CB        42.415        42.415        42.091         0.324
RESID 836 (L):        H         7.625         7.625         7.746        -0.121
RESID 837 (A):        N       119.184       119.184       118.157         1.027
RESID 837 (A):       HA         3.895         3.895         3.981        -0.086
RESID 837 (A):       CA        53.301        53.301        53.710        -0.409
RESID 837 (A):       CB        19.338        19.338        19.727        -0.390
RESID 837 (A):        H         8.099         8.099         7.733         0.366
RESID 838 (G):        N       107.030       107.030       107.378        -0.348
RESID 838 (G):       CA        46.918        46.918        46.254         0.664
RESID 838 (G):        H         7.676         7.676         8.156        -0.480
RESID 839 (D):        N       122.291       122.291       124.978        -2.687
RESID 839 (D):       HA         4.477         4.477         4.828        -0.351
RESID 839 (D):       CA        54.511        54.511        53.077         1.434
RESID 839 (D):       CB        40.181        40.181        41.702        -1.521
RESID 839 (D):        H         8.704         8.704         8.394         0.310
RESID 840 (K):        N       117.582       117.582       120.310        -2.728
RESID 840 (K):       HA         4.301         4.301         4.409        -0.108
RESID 840 (K):       CA        55.780        55.780        56.327        -0.547
RESID 840 (K):       CB        33.710        33.710        33.011         0.699
RESID 840 (K):        H         7.583         7.583         7.313         0.270
RESID 841 (N):        N       116.678       116.678       117.495        -0.817
RESID 841 (N):       HA         4.611         4.611         4.568         0.043
RESID 841 (N):       CA        53.466        53.466        54.339        -0.873
RESID 841 (N):       CB        39.155        39.155        38.836         0.319
RESID 841 (N):        H         8.693         8.693         8.890        -0.197
RESID 842 (Y):        N       112.236       112.236       113.999        -1.763
RESID 842 (Y):       HA         4.986         4.986         4.977         0.009
RESID 842 (Y):       CA        54.918        54.918        55.915        -0.997
RESID 842 (Y):       CB        40.595        40.595        41.151        -0.555
RESID 842 (Y):        H         6.637         6.637         7.306        -0.669
RESID 843 (I):        N       115.475       115.475       122.125        -6.650
RESID 843 (I):       HA         4.792         4.792         4.754         0.038
RESID 843 (I):       CA        58.957        58.957        58.253         0.704
RESID 843 (I):       CB        43.009        43.009        43.241        -0.232
RESID 843 (I):        H         8.630         8.630         9.336        -0.706
RESID 844 (T):        N       117.169       117.169       118.484        -1.315
RESID 844 (T):       HA         5.370         5.370         5.242         0.128
RESID 844 (T):       CA        60.177        60.177        60.310        -0.133
RESID 844 (T):       CB        71.088        71.088        70.555         0.533
RESID 844 (T):        H         9.330         9.330         9.075         0.255
RESID 845 (M):        N       119.860       119.860       120.464        -0.604
RESID 845 (M):       HA         3.824         3.824         3.954        -0.130
RESID 845 (M):       CA        60.321        60.321        60.617        -0.296
RESID 845 (M):       CB        33.030        33.030        32.156         0.874
RESID 845 (M):        H         8.556         8.556         8.667        -0.111
RESID 846 (D):        N       116.363       116.363       117.601        -1.238
RESID 846 (D):       HA         4.280         4.280         4.429        -0.149
RESID 846 (D):       CA        57.404        57.404        56.337         1.067
RESID 846 (D):       CB        40.584        40.584        40.084         0.500
RESID 846 (D):        H         8.377         8.377         8.625        -0.248
RESID 847 (E):        N       120.577       120.577       118.979         1.598
RESID 847 (E):       HA         3.854         3.854         4.131        -0.277
RESID 847 (E):       CA        59.657        59.657        58.757         0.900
RESID 847 (E):       CB        29.660        29.660        30.103        -0.443
RESID 847 (E):        H         7.855         7.855         7.726         0.129
RESID 848 (L):        N       118.714       118.714       119.412        -0.698
RESID 848 (L):       HA         3.822         3.822         3.897        -0.075
RESID 848 (L):       CA        58.725        58.725        57.631         1.094
RESID 848 (L):       CB        42.457        42.457        41.798         0.659
RESID 848 (L):        H         7.849         7.849         7.570         0.279
RESID 849 (R):        N       113.972       113.972       115.063        -1.091
RESID 849 (R):       HA         3.924         3.924         4.393        -0.469
RESID 849 (R):       CA        58.595        58.595        57.064         1.531
RESID 849 (R):       CB        30.100        30.100        29.394         0.706
RESID 849 (R):        H         8.053         8.053         7.615         0.438
RESID 850 (R):        N       118.178       118.178       118.191        -0.013
RESID 850 (R):       HA         4.193         4.193         4.399        -0.206
RESID 850 (R):       CA        58.245        58.245        57.675         0.570
RESID 850 (R):       CB        31.120        31.120        30.980         0.140
RESID 850 (R):        H         7.743         7.743         7.448         0.295
RESID 851 (E):        N       115.518       115.518       119.263        -3.745
RESID 851 (E):       HA         4.350         4.350         4.318         0.032
RESID 851 (E):       CA        56.886        56.886        57.737        -0.851
RESID 851 (E):       CB        31.590        31.590        30.909         0.681
RESID 851 (E):        H         7.596         7.596         7.800        -0.204
RESID 852 (L):        N       119.148       119.148       121.467        -2.319
RESID 852 (L):       HA         4.894         4.894         5.075        -0.181
RESID 852 (L):       CA        52.174        52.174        51.503         0.671
RESID 852 (L):       CB        42.469        42.469        41.953         0.516
RESID 852 (L):        H         7.890         7.890         7.995        -0.105
RESID 853 (P):       HA         4.347         4.347         4.468        -0.121
RESID 853 (P):       CA        65.119        65.119        63.889         1.230
RESID 853 (P):       CB        31.631        31.631        30.262         1.369
RESID 854 (P):       HA         4.270         4.270         4.483        -0.213
RESID 854 (P):       CA        66.336        66.336        62.021         4.315
RESID 854 (P):       CB        32.256        32.256        33.019        -0.763
RESID 855 (D):        N       114.865       114.865       118.951        -4.086
RESID 855 (D):       HA         4.349         4.349         4.377        -0.028
RESID 855 (D):       CA        56.913        56.913        56.772         0.141
RESID 855 (D):       CB        39.244        39.244        39.854        -0.610
RESID 855 (D):        H         8.801         8.801         8.383         0.418
RESID 856 (Q):        N       121.465       121.465       118.560         2.905
RESID 856 (Q):       HA         4.199         4.199         4.243        -0.044
RESID 856 (Q):       CA        58.317        58.317        58.824        -0.507
RESID 856 (Q):       CB        29.247        29.247        27.985         1.262
RESID 856 (Q):        H         7.472         7.472         8.229        -0.757
RESID 857 (A):        N       122.805       122.805       122.646         0.159
RESID 857 (A):       HA         3.799         3.799         3.816        -0.017
RESID 857 (A):       CA        56.303        56.303        55.921         0.382
RESID 857 (A):       CB        17.944        17.944        18.331        -0.387
RESID 857 (A):        H         8.882         8.882         8.031         0.851
RESID 858 (E):        N       114.094       114.094       118.515        -4.421
RESID 858 (E):       HA         4.024         4.024         3.951         0.073
RESID 858 (E):       CA        58.682        58.682        58.634         0.048
RESID 858 (E):       CB        28.639        28.639        29.238        -0.600
RESID 858 (E):        H         8.155         8.155         8.176        -0.021
RESID 859 (Y):        N       120.665       120.665       122.277        -1.612
RESID 859 (Y):       HA         4.084         4.084         4.179        -0.095
RESID 859 (Y):       CA        61.006        61.006        61.007        -0.001
RESID 859 (Y):       CB        38.687        38.687        38.210         0.477
RESID 859 (Y):        H         7.708         7.708         8.624        -0.916
RESID 860 (C):        N       115.812       115.812       117.103        -1.291
RESID 860 (C):       HA         4.158         4.158         3.435         0.723
RESID 860 (C):       CA        64.254        64.254        63.977         0.277
RESID 860 (C):       CB        27.304        27.304        26.987         0.317
RESID 860 (C):        H         8.113         8.113         7.729         0.384
RESID 861 (I):        N       120.078       120.078       120.109        -0.031
RESID 861 (I):       HA         3.339         3.339         3.614        -0.275
RESID 861 (I):       CA        65.643        65.643        65.422         0.221
RESID 861 (I):       CB        38.714        38.714        37.695         1.019
RESID 861 (I):        H         8.453         8.453         7.984         0.469
RESID 862 (A):        N       116.691       116.691       121.504        -4.813
RESID 862 (A):       HA         4.209         4.209         3.999         0.210
RESID 862 (A):       CA        53.222        53.222        54.644        -1.422
RESID 862 (A):       CB        19.002        19.002        18.609         0.393
RESID 862 (A):        H         7.307         7.307         8.176        -0.869
RESID 863 (R):        N       117.226       117.226       116.048         1.178
RESID 863 (R):       HA         4.274         4.274         4.536        -0.262
RESID 863 (R):       CA        56.051        56.051        56.410        -0.359
RESID 863 (R):       CB        31.389        31.389        30.988         0.402
RESID 863 (R):        H         7.358         7.358         7.434        -0.075
RESID 864 (M):        N       117.583       117.583       118.597        -1.014
RESID 864 (M):       HA         4.561         4.561         4.441         0.120
RESID 864 (M):       CA        54.927        54.927        55.940        -1.013
RESID 864 (M):       CB        37.418        37.418        34.060         3.358
RESID 864 (M):        H         7.153         7.153         7.411        -0.258
RESID 865 (A):        N       124.643       124.643       125.553        -0.910
RESID 865 (A):       HA         3.866         3.866         4.588        -0.722
RESID 865 (A):       CA        49.194        49.194        50.100        -0.906
RESID 865 (A):       CB        18.647        18.647        18.374         0.273
RESID 865 (A):        H         8.557         8.557         8.215         0.342
RESID 866 (P):       HA         4.496         4.496         4.489         0.007
RESID 866 (P):       CA        62.724        62.724        62.906        -0.182
RESID 866 (P):       CB        31.980        31.980        30.428         1.552
RESID 867 (Y):        N       122.461       122.461       126.477        -4.016
RESID 867 (Y):       HA         4.728         4.728         4.549         0.179
RESID 867 (Y):       CA        57.096        57.096        56.394         0.702
RESID 867 (Y):       CB        39.175        39.175        37.693         1.482
RESID 867 (Y):        H         8.128         8.128         8.040         0.088
RESID 868 (T):       HA         4.351         4.351         4.550        -0.199
RESID 868 (T):       CA        60.271        60.271        59.700         0.571
RESID 868 (T):       CB        68.737        68.737        71.510        -2.773
RESID 869 (G):       CA        44.914        44.914        45.437        -0.522
RESID 870 (P):       HA         4.329         4.329         4.454        -0.125
RESID 870 (P):       CA        64.697        64.697        63.861         0.836
RESID 870 (P):       CB        31.579        31.579        32.287        -0.708
RESID 871 (D):        N       116.207       116.207       118.207        -2.000
RESID 871 (D):       HA         4.604         4.604         4.741        -0.137
RESID 871 (D):       CA        52.749        52.749        53.690        -0.941
RESID 871 (D):       CB        38.929        38.929        40.656        -1.727
RESID 871 (D):        H         9.267         9.267         8.308         0.959
RESID 872 (S):        N       112.349       112.349       113.834        -1.485
RESID 872 (S):       HA         3.497         3.497         4.625        -1.128
RESID 872 (S):       CA        59.065        59.065        57.024         2.041
RESID 872 (S):       CB        63.125        63.125        64.806        -1.681
RESID 872 (S):        H         7.487         7.487         7.397         0.090
RESID 873 (V):        N       113.567       113.567       114.506        -0.939
RESID 873 (V):       HA         4.729         4.729         4.606         0.123
RESID 873 (V):       CA        58.044        58.044        58.361        -0.317
RESID 873 (V):       CB        32.911        32.911        31.965         0.946
RESID 873 (V):        H         6.411         6.411         8.139        -1.728
RESID 874 (P):       HA         4.296         4.296         4.497        -0.201
RESID 874 (P):       CA        64.335        64.335        62.751         1.584
RESID 874 (P):       CB        31.515        31.515        30.141         1.374
RESID 875 (G):        N       112.118       112.118       106.595         5.523
RESID 875 (G):       CA        45.557        45.557        45.823        -0.266
RESID 875 (G):        H         8.800         8.800         8.207         0.593
RESID 876 (A):        N       120.262       120.262       123.940        -3.678
RESID 876 (A):       HA         4.100         4.100         5.530        -1.430
RESID 876 (A):       CA        53.073        53.073        50.325         2.748
RESID 876 (A):       CB        20.508        20.508        21.577        -1.069
RESID 876 (A):        H         7.762         7.762         7.813        -0.051
RESID 877 (L):        N       125.695       125.695       121.779         3.916
RESID 877 (L):       HA         4.776         4.776         5.137        -0.361
RESID 877 (L):       CA        54.269        54.269        53.669         0.600
RESID 877 (L):       CB        44.799        44.799        46.944        -2.145
RESID 877 (L):        H         9.595         9.595         9.303         0.292
RESID 878 (D):        N       119.823       119.823       122.041        -2.218
RESID 878 (D):       HA         4.879         4.879         4.503         0.376
RESID 878 (D):       CA        51.997        51.997        52.899        -0.902
RESID 878 (D):       CB        40.781        40.781        41.616        -0.835
RESID 878 (D):        H         9.031         9.031         7.862         1.169
RESID 879 (Y):        N       126.556       126.556       123.069         3.487
RESID 879 (Y):       HA         4.591         4.591         4.373         0.218
RESID 879 (Y):       CA        59.396        59.396        59.963        -0.567
RESID 879 (Y):       CB        37.321        37.321        37.884        -0.563
RESID 879 (Y):        H         7.456         7.456         7.943        -0.487
RESID 880 (M):        N       119.958       119.958       113.165         6.793
RESID 880 (M):       HA         4.605         4.605         4.807        -0.202
RESID 880 (M):       CA        56.044        56.044        56.666        -0.622
RESID 880 (M):       CB        30.101        30.101        33.869        -3.768
RESID 880 (M):        H         7.627         7.627         7.282         0.345
RESID 881 (S):        N       114.328       114.328       115.238        -0.910
RESID 881 (S):       HA         4.471         4.471         4.612        -0.141
RESID 881 (S):       CA        58.917        58.917        57.816         1.101
RESID 881 (S):       CB        64.447        64.447        63.842         0.605
RESID 881 (S):        H         7.726         7.726         8.437        -0.711
RESID 882 (F):        N       122.735       122.735       120.797         1.938
RESID 882 (F):       HA         4.722         4.722         4.422         0.300
RESID 882 (F):       CA        59.231        59.231        57.431         1.800
RESID 882 (F):       CB        40.285        40.285        38.986         1.299
RESID 882 (F):        H         7.385         7.385         7.869        -0.484
RESID 883 (S):        N       120.156       120.156       115.196         4.960
RESID 883 (S):       HA         4.299         4.299         4.484        -0.185
RESID 883 (S):       CA        57.280        57.280        56.866         0.414
RESID 883 (S):       CB        64.601        64.601        65.742        -1.141
RESID 883 (S):        H         7.472         7.472         8.469        -0.997
RESID 884 (T):        N       110.683       110.683       115.387        -4.704
RESID 884 (T):       HA         3.966         3.966         4.302        -0.336
RESID 884 (T):       CA        63.465        63.465        63.531        -0.066
RESID 884 (T):       CB        68.899        68.899        69.235        -0.336
RESID 884 (T):        H         7.996         7.996         8.182        -0.186
RESID 885 (A):        N       125.456       125.456       125.424         0.032
RESID 885 (A):       HA         4.236         4.236         4.174         0.062
RESID 885 (A):       CA        52.030        52.030        52.126        -0.096
RESID 885 (A):       CB        19.225        19.225        19.385        -0.160
RESID 885 (A):        H         7.905         7.905         7.517         0.388
RESID 886 (L):        N       120.638       120.638       122.994        -2.356
RESID 886 (L):       HA         4.002         4.002         4.035        -0.033
RESID 886 (L):       CA        55.462        55.462        54.891         0.571
RESID 886 (L):       CB        42.265        42.265        42.229         0.036
RESID 886 (L):        H         8.079         8.079         8.124        -0.045
RESID 887 (Y):        N       121.526       121.526       121.090         0.436
RESID 887 (Y):       HA         4.356         4.356         4.223         0.133
RESID 887 (Y):       CA        58.750        58.750        58.681         0.069
RESID 887 (Y):       CB        38.569        38.569        37.874         0.695
RESID 887 (Y):        H         8.267         8.267         8.295        -0.028
RESID 888 (G):        N       112.379       112.379       108.524         3.855
RESID 888 (G):       CA        45.090        45.090        44.490         0.600
RESID 888 (G):        H         8.087         8.087         7.494         0.593
RESID 889 (E):        N       120.255       120.255       120.902        -0.647
RESID 889 (E):       HA         4.256         4.256         4.599        -0.343
RESID 889 (E):       CA        56.445        56.445        56.139         0.306
RESID 889 (E):       CB        30.393        30.393        30.101         0.292
RESID 889 (E):        H         7.994         7.994         8.635        -0.641
RESID 890 (S):        N       116.375       116.375       118.934        -2.559
RESID 890 (S):       HA         4.415         4.415         4.750        -0.335
RESID 890 (S):       CA        58.204        58.204        58.567        -0.363
RESID 890 (S):       CB        63.913        63.913        63.767         0.146
RESID 890 (S):        H         8.329         8.329         8.537        -0.208
RESID 891 (D):        N       123.017       123.017       121.006         2.011
RESID 891 (D):       HA         4.610         4.610         5.178        -0.568
RESID 891 (D):       CA        54.371        54.371        53.671         0.700
RESID 891 (D):       CB        41.013        41.013        42.576        -1.563
RESID 891 (D):        H         8.394         8.394         8.186         0.208

                         N          HA           C          CA          CB           H
RESID 743 (I):       1.515      -0.040       -----       0.597      -1.613       0.357
RESID 744 (S):       1.036      -0.340       -----       0.884      -0.249       0.215
RESID 745 (Q):       0.100      -0.166       -----      -0.500      -0.083      -0.091
RESID 746 (E):      -0.778      -0.111       -----       1.164      -0.358       0.204
RESID 747 (Q):       0.314      -0.359       -----      -0.462       0.329      -0.531
RESID 748 (M):       3.066      -0.294       -----      -0.596      -1.446       0.315
RESID 749 (N):      -1.499       0.043       -----      -0.561      -1.325       0.447
RESID 750 (E):       3.272       0.077       -----       0.850      -0.307      -0.488
RESID 751 (F):      -3.002       0.709       -----      -1.249      -1.552       0.131
RESID 752 (R):       0.556       0.305       -----       1.376       1.304       0.867
RESID 753 (A):      -1.317      -0.247       -----       0.820      -0.040       0.180
RESID 754 (S):       0.229       0.206       -----       2.531       0.597       0.483
RESID 755 (F):       2.713      -0.520       -----       2.712       1.134       0.888
RESID 756 (N):      -0.180       0.069       -----       2.591      -1.051       0.914
RESID 757 (H):      -0.900      -0.200       -----      -0.407      -0.371       0.556
RESID 758 (F):      -3.378      -0.533       -----       2.181      -1.837      -0.012
RESID 759 (D):      -0.344      -0.016       -----      -2.785      -2.484      -0.541
RESID 760 (R):      -2.088      -0.294       -----      -0.500      -0.317      -0.681
RESID 761 (D):      -1.155      -0.113       -----      -1.083      -0.555      -0.200
RESID 762 (H):       1.068      -0.084       -----       0.093      -0.793      -0.012
RESID 763 (S):       0.094       0.082       -----       0.060       1.224       0.224
RESID 764 (G):       6.242       -----       -----      -0.073       -----       1.958
RESID 765 (T):      -2.960      -0.297       -----      -1.935       1.066      -0.211
RESID 766 (L):      -0.209       0.270       -----      -1.780      -0.982       0.622
RESID 767 (G):       0.377       -----       -----       0.335       -----      -0.169
RESID 768 (P):       -----      -0.288       -----       1.069      -0.048       -----
RESID 769 (E):      -3.070      -0.047       -----      -0.131      -0.406      -0.403
RESID 770 (E):       1.151       0.098       -----      -0.472       1.450      -0.462
RESID 771 (F):      -4.335       0.047       -----      -2.034      -0.649       0.115
RESID 772 (K):       1.285      -0.365       -----       2.409       1.028       0.587
RESID 773 (A):      -2.179      -0.178       -----       1.242      -1.312      -0.290
RESID 774 (C):       1.511      -0.327       -----      -0.143      -0.099      -0.188
RESID 775 (L):      -0.019       0.190       -----       1.255      -0.413       0.769
RESID 776 (I):       2.786       1.664       -----       0.969       0.817       1.671
RESID 777 (S):       6.159       0.063       -----       1.912      -0.062       0.432
RESID 778 (L):       2.851       0.161       -----       1.153       0.628       0.627
RESID 779 (G):      -0.916       -----       -----       0.146       -----       0.550
RESID 780 (Y):       1.666      -0.486       -----       4.176      -0.336       0.584
RESID 781 (D):       6.411      -0.006       -----      -0.744      -1.039      -0.175
RESID 782 (I):       9.007      -0.081       -----      -0.228      -2.469       0.418
RESID 783 (G):       7.093       -----       -----      -0.056       -----      -0.018
RESID 784 (N):       1.922       0.080       -----      -0.943      -0.627      -0.119
RESID 785 (D):      -1.367      -0.066       -----      -0.187      -2.147       0.584
RESID 786 (P):       -----       0.052       -----       0.983      -0.085       -----
RESID 787 (Q):       1.052      -0.118       -----       1.204      -0.380      -0.057
RESID 788 (G):       4.588       -----       -----       0.766       -----       0.180
RESID 789 (E):      -0.547      -0.115       -----      -0.132       0.068       0.127
RESID 790 (A):       0.762       0.048       -----      -0.233      -0.626       0.448
RESID 791 (E):       3.786       0.566       -----      -0.299      -0.422       0.683
RESID 792 (F):      -1.563      -0.171       -----       0.690       0.073      -0.099
RESID 793 (A):      -1.500       0.583       -----       0.485      -0.207       0.337
RESID 794 (R):       2.080      -0.117       -----       0.523      -0.162       0.566
RESID 795 (I):       2.302      -0.515       -----       1.323      -0.412       0.330
RESID 796 (M):       0.526       0.243       -----      -1.507      -1.731       0.429
RESID 797 (S):       1.648      -0.201       -----       1.018      -0.980       0.143
RESID 798 (I):       4.194      -0.437       -----       0.274       0.355      -0.612
RESID 799 (V):      -8.916       0.428       -----       0.562       0.782      -0.001
RESID 800 (D):       1.732       0.139       -----       1.645      -0.061       0.513
RESID 801 (P):       -----      -0.088       -----       1.066      -0.340       -----
RESID 802 (N):      -1.412       0.053       -----       0.252      -1.753       1.315
RESID 803 (R):       1.327      -0.398       -----       0.014      -0.782       0.087
RESID 804 (L):       6.538      -0.536       -----       1.983       1.244       2.564
RESID 805 (G):       3.041       -----       -----      -0.827       -----       2.453
RESID 806 (V):      -5.569       0.228       -----      -1.593       1.955      -0.263
RESID 807 (V):      -0.032      -0.471       -----       0.893       1.144       0.086
RESID 808 (T):      -0.139       0.011       -----       1.739      -0.802       0.460
RESID 809 (F):       3.877      -1.038       -----       0.910       0.488       1.453
RESID 810 (Q):       0.151      -0.653       -----       1.093      -0.395       0.841
RESID 811 (A):      -1.199      -0.053       -----       1.216       0.151       0.254
RESID 812 (F):       1.769      -0.308       -----      -0.358       1.384       0.509
RESID 813 (I):      -0.580      -0.868       -----       0.468      -0.244       0.513
RESID 814 (D):       3.050      -0.176       -----      -0.160      -0.547      -0.371
RESID 815 (F):       0.016      -0.335       -----       0.224       0.114      -0.066
RESID 816 (M):      -3.256      -0.290       -----      -1.503      -1.251       0.101
RESID 817 (S):      -1.144      -0.077       -----      -0.430       0.401      -0.485
RESID 818 (R):       1.739      -0.041       -----       1.007       1.255      -0.796
RESID 819 (E):       0.702       0.002       -----      -1.648       1.688       0.483
RESID 820 (T):       2.519       1.298       -----      -1.339       1.391       0.428
RESID 821 (A):       2.474       0.044       -----       1.254      -0.149       0.568
RESID 822 (D):       0.935      -0.309       -----       0.616      -1.478       0.021
RESID 823 (T):      -2.913      -0.360       -----       0.637      -2.682      -0.263
RESID 824 (D):      -0.581       0.132       -----      -1.987       0.100      -0.588
RESID 825 (T):       3.764      -0.173       -----      -0.497       0.549      -0.313
RESID 826 (A):       0.237       0.078       -----      -0.259       0.090       0.831
RESID 827 (D):      -0.114       0.013       -----      -1.319      -0.435       0.270
RESID 828 (Q):       2.478       0.005       -----      -0.507      -0.159       0.289
RESID 829 (V):       0.339      -0.248       -----       0.917      -0.409       0.768
RESID 830 (M):       2.078       0.896       -----       0.645       0.583       0.149
RESID 831 (A):      -1.457       0.078       -----       0.160       0.272       0.444
RESID 832 (S):      -1.770       0.072       -----      -0.788      -0.183       0.272
RESID 833 (F):       2.143      -0.376       -----       0.912       0.521       0.024
RESID 834 (K):      -1.515       0.114       -----       1.116       0.370       0.114
RESID 835 (I):      -1.522       0.010       -----      -1.006      -0.196      -0.055
RESID 836 (L):       1.398       0.033       -----       0.143       0.324      -0.121
RESID 837 (A):       1.027      -0.086       -----      -0.409      -0.390       0.366
RESID 838 (G):      -0.348       -----       -----       0.664       -----      -0.480
RESID 839 (D):      -2.687      -0.351       -----       1.434      -1.521       0.310
RESID 840 (K):      -2.728      -0.108       -----      -0.547       0.699       0.270
RESID 841 (N):      -0.817       0.043       -----      -0.873       0.319      -0.197
RESID 842 (Y):      -1.763       0.009       -----      -0.997      -0.555      -0.669
RESID 843 (I):      -6.650       0.038       -----       0.704      -0.232      -0.706
RESID 844 (T):      -1.315       0.128       -----      -0.133       0.533       0.255
RESID 845 (M):      -0.604      -0.130       -----      -0.296       0.874      -0.111
RESID 846 (D):      -1.238      -0.149       -----       1.067       0.500      -0.248
RESID 847 (E):       1.598      -0.277       -----       0.900      -0.443       0.129
RESID 848 (L):      -0.698      -0.075       -----       1.094       0.659       0.279
RESID 849 (R):      -1.091      -0.469       -----       1.531       0.706       0.438
RESID 850 (R):      -0.013      -0.206       -----       0.570       0.140       0.295
RESID 851 (E):      -3.745       0.032       -----      -0.851       0.681      -0.204
RESID 852 (L):      -2.319      -0.181       -----       0.671       0.516      -0.105
RESID 853 (P):       -----      -0.121       -----       1.230       1.369       -----
RESID 854 (P):       -----      -0.213       -----       4.315      -0.763       -----
RESID 855 (D):      -4.086      -0.028       -----       0.141      -0.610       0.418
RESID 856 (Q):       2.905      -0.044       -----      -0.507       1.262      -0.757
RESID 857 (A):       0.159      -0.017       -----       0.382      -0.387       0.851
RESID 858 (E):      -4.421       0.073       -----       0.048      -0.600      -0.021
RESID 859 (Y):      -1.612      -0.095       -----      -0.001       0.477      -0.916
RESID 860 (C):      -1.291       0.723       -----       0.277       0.317       0.384
RESID 861 (I):      -0.031      -0.275       -----       0.221       1.019       0.469
RESID 862 (A):      -4.813       0.210       -----      -1.422       0.393      -0.869
RESID 863 (R):       1.178      -0.262       -----      -0.359       0.402      -0.075
RESID 864 (M):      -1.014       0.120       -----      -1.013       3.358      -0.258
RESID 865 (A):      -0.910      -0.722       -----      -0.906       0.273       0.342
RESID 866 (P):       -----       0.007       -----      -0.182       1.552       -----
RESID 867 (Y):      -4.016       0.179       -----       0.702       1.482       0.088
RESID 868 (T):       -----      -0.199       -----       0.571      -2.773       -----
RESID 869 (G):       -----       -----       -----      -0.522       -----       -----
RESID 870 (P):       -----      -0.125       -----       0.836      -0.708       -----
RESID 871 (D):      -2.000      -0.137       -----      -0.941      -1.727       0.959
RESID 872 (S):      -1.485      -1.128       -----       2.041      -1.681       0.090
RESID 873 (V):      -0.939       0.123       -----      -0.317       0.946      -1.728
RESID 874 (P):       -----      -0.201       -----       1.584       1.374       -----
RESID 875 (G):       5.523       -----       -----      -0.266       -----       0.593
RESID 876 (A):      -3.678      -1.430       -----       2.748      -1.069      -0.051
RESID 877 (L):       3.916      -0.361       -----       0.600      -2.145       0.292
RESID 878 (D):      -2.218       0.376       -----      -0.902      -0.835       1.169
RESID 879 (Y):       3.487       0.218       -----      -0.567      -0.563      -0.487
RESID 880 (M):       6.793      -0.202       -----      -0.622      -3.768       0.345
RESID 881 (S):      -0.910      -0.141       -----       1.101       0.605      -0.711
RESID 882 (F):       1.938       0.300       -----       1.800       1.299      -0.484
RESID 883 (S):       4.960      -0.185       -----       0.414      -1.141      -0.997
RESID 884 (T):      -4.704      -0.336       -----      -0.066      -0.336      -0.186
RESID 885 (A):       0.032       0.062       -----      -0.096      -0.160       0.388
RESID 886 (L):      -2.356      -0.033       -----       0.571       0.036      -0.045
RESID 887 (Y):       0.436       0.133       -----       0.069       0.695      -0.028
RESID 888 (G):       3.855       -----       -----       0.600       -----       0.593
RESID 889 (E):      -0.647      -0.343       -----       0.306       0.292      -0.641
RESID 890 (S):      -2.559      -0.335       -----      -0.363       0.146      -0.208
RESID 891 (D):       2.011      -0.568       -----       0.700      -1.563       0.208

DATA CS_STAT_INFO  N  RMS:   2.852 ppm Count: 139 Average Difference: -0.218 +/- 2.854 ppm
DATA CS_STAT_INFO  HA RMS:   0.371 ppm Count: 160 Average Difference:  0.053 +/- 0.368 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   1.181 ppm Count: 150 Average Difference: -0.253 +/- 1.158 ppm
DATA CS_STAT_INFO  CB RMS:   1.068 ppm Count: 140 Average Difference:  0.124 +/- 1.064 ppm
DATA CS_STAT_INFO  HN RMS:   0.623 ppm Count: 139 Average Difference: -0.168 +/- 0.602 ppm


############################################################################
For conformer 16:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 742 (S):       HA         4.525         4.525         3.989         0.536
RESID 742 (S):       CA        58.148        58.148        59.417        -1.269
RESID 742 (S):       CB        63.791        63.791        62.983         0.808
RESID 743 (I):        N       122.172       122.172       120.742         1.430
RESID 743 (I):       HA         4.362         4.362         4.158         0.204
RESID 743 (I):       CA        60.421        60.421        61.876        -1.455
RESID 743 (I):       CB        39.166        39.166        38.825         0.341
RESID 743 (I):        H         8.132         8.132         8.006         0.126
RESID 744 (S):        N       123.144       123.144       121.193         1.951
RESID 744 (S):       HA         4.449         4.449         4.575        -0.126
RESID 744 (S):       CA        57.463        57.463        56.946         0.517
RESID 744 (S):       CB        65.219        65.219        64.695         0.524
RESID 744 (S):        H         8.848         8.848         8.392         0.456
RESID 745 (Q):        N       121.619       121.619       123.504        -1.885
RESID 745 (Q):       HA         3.952         3.952         4.116        -0.164
RESID 745 (Q):       CA        58.768        58.768        59.109        -0.341
RESID 745 (Q):       CB        28.512        28.512        28.818        -0.306
RESID 745 (Q):        H         9.042         9.042         8.991         0.051
RESID 746 (E):        N       118.648       118.648       119.621        -0.973
RESID 746 (E):       HA         4.004         4.004         4.132        -0.128
RESID 746 (E):       CA        60.223        60.223        58.989         1.234
RESID 746 (E):       CB        28.854        28.854        29.497        -0.643
RESID 746 (E):        H         8.721         8.721         7.720         1.001
RESID 747 (Q):        N       120.463       120.463       120.159         0.304
RESID 747 (Q):       HA         3.766         3.766         4.403        -0.637
RESID 747 (Q):       CA        58.306        58.306        58.835        -0.529
RESID 747 (Q):       CB        28.948        28.948        28.215         0.733
RESID 747 (Q):        H         7.838         7.838         8.461        -0.623
RESID 748 (M):        N       119.252       119.252       115.621         3.631
RESID 748 (M):       HA         4.200         4.200         4.429        -0.229
RESID 748 (M):       CA        58.096        58.096        59.281        -1.185
RESID 748 (M):       CB        30.900        30.900        32.358        -1.458
RESID 748 (M):        H         8.473         8.473         8.242         0.231
RESID 749 (N):        N       117.740       117.740       118.872        -1.132
RESID 749 (N):       HA         4.474         4.474         4.484        -0.010
RESID 749 (N):       CA        55.795        55.795        55.949        -0.154
RESID 749 (N):       CB        37.413        37.413        38.533        -1.120
RESID 749 (N):        H         8.334         8.334         7.596         0.738
RESID 750 (E):        N       122.848       122.848       119.424         3.424
RESID 750 (E):       HA         4.204         4.204         4.111         0.093
RESID 750 (E):       CA        59.341        59.341        58.490         0.850
RESID 750 (E):       CB        29.184        29.184        29.575        -0.391
RESID 750 (E):        H         7.838         7.838         8.396        -0.558
RESID 751 (F):        N       120.177       120.177       122.860        -2.683
RESID 751 (F):       HA         5.021         5.021         4.332         0.689
RESID 751 (F):       CA        58.353        58.353        59.714        -1.361
RESID 751 (F):       CB        37.797        37.797        39.394        -1.597
RESID 751 (F):        H         8.785         8.785         8.616         0.169
RESID 752 (R):        N       120.528       120.528       120.294         0.234
RESID 752 (R):       HA         4.160         4.160         3.929         0.231
RESID 752 (R):       CA        59.704        59.704        58.318         1.386
RESID 752 (R):       CB        29.968        29.968        28.630         1.338
RESID 752 (R):        H         9.016         9.016         7.968         1.048
RESID 753 (A):        N       121.112       121.112       122.280        -1.168
RESID 753 (A):       HA         4.245         4.245         4.418        -0.173
RESID 753 (A):       CA        55.331        55.331        54.511         0.820
RESID 753 (A):       CB        17.823        17.823        17.807         0.016
RESID 753 (A):        H         8.100         8.100         7.767         0.333
RESID 754 (S):        N       115.589       115.589       115.166         0.423
RESID 754 (S):       HA         4.452         4.452         4.204         0.248
RESID 754 (S):       CA        62.675        62.675        59.868         2.807
RESID 754 (S):       CB        63.359        63.359        62.647         0.712
RESID 754 (S):        H         8.391         8.391         7.775         0.616
RESID 755 (F):        N       121.886       121.886       118.996         2.890
RESID 755 (F):       HA         3.642         3.642         3.931        -0.289
RESID 755 (F):       CA        61.964        61.964        58.935         3.029
RESID 755 (F):       CB        39.822        39.822        38.444         1.378
RESID 755 (F):        H         8.675         8.675         7.719         0.956
RESID 756 (N):        N       113.618       113.618       114.230        -0.612
RESID 756 (N):       HA         4.427         4.427         4.069         0.358
RESID 756 (N):       CA        55.611        55.611        52.896         2.715
RESID 756 (N):       CB        37.838        37.838        38.559        -0.721
RESID 756 (N):        H         8.593         8.593         7.693         0.900
RESID 757 (H):        N       119.679       119.679       121.851        -2.172
RESID 757 (H):       HA         4.079         4.079         4.266        -0.187
RESID 757 (H):       CA        59.344        59.344        59.352        -0.008
RESID 757 (H):       CB        29.889        29.889        29.869         0.020
RESID 757 (H):        H         8.139         8.139         7.523         0.616
RESID 758 (F):        N       113.051       113.051       116.381        -3.330
RESID 758 (F):       HA         4.061         4.061         4.353        -0.292
RESID 758 (F):       CA        60.697        60.697        58.203         2.494
RESID 758 (F):       CB        38.735        38.735        40.670        -1.935
RESID 758 (F):        H         7.585         7.585         7.452         0.133
RESID 759 (D):        N       120.916       120.916       121.558        -0.642
RESID 759 (D):       HA         4.509         4.509         4.435         0.074
RESID 759 (D):       CA        52.171        52.171        54.916        -2.745
RESID 759 (D):       CB        38.009        38.009        40.593        -2.584
RESID 759 (D):        H         7.423         7.423         7.813        -0.390
RESID 760 (R):        N       124.819       124.819       126.314        -1.495
RESID 760 (R):       HA         3.768         3.768         4.042        -0.274
RESID 760 (R):       CA        58.275        58.275        58.643        -0.368
RESID 760 (R):       CB        30.249        30.249        30.631        -0.382
RESID 760 (R):        H         7.781         7.781         8.287        -0.506
RESID 761 (D):        N       113.673       113.673       112.486         1.187
RESID 761 (D):       HA         4.483         4.483         4.714        -0.231
RESID 761 (D):       CA        51.977        51.977        53.475        -1.498
RESID 761 (D):       CB        39.522        39.522        40.773        -1.251
RESID 761 (D):        H         7.821         7.821         8.046        -0.225
RESID 762 (H):        N       114.966       114.966       116.721        -1.755
RESID 762 (H):       HA         4.161         4.161         4.201        -0.040
RESID 762 (H):       CA        56.618        56.618        56.898        -0.279
RESID 762 (H):       CB        26.380        26.380        28.906        -2.526
RESID 762 (H):        H         7.744         7.744         8.004        -0.260
RESID 763 (S):        N       115.077       115.077       113.731         1.346
RESID 763 (S):       HA         4.336         4.336         4.345        -0.009
RESID 763 (S):       CA        59.860        59.860        59.649         0.211
RESID 763 (S):       CB        65.192        65.192        64.038         1.154
RESID 763 (S):        H         8.726         8.726         8.244         0.482
RESID 764 (G):        N       116.915       116.915       110.235         6.680
RESID 764 (G):       CA        45.449        45.449        45.522        -0.073
RESID 764 (G):        H        11.017        11.017         8.670         2.347
RESID 765 (T):        N       107.334       107.334       110.775        -3.441
RESID 765 (T):       HA         4.829         4.829         5.343        -0.514
RESID 765 (T):       CA        58.759        58.759        60.947        -2.188
RESID 765 (T):       CB        73.383        73.383        71.998         1.385
RESID 765 (T):        H         7.693         7.693         8.171        -0.478
RESID 766 (L):        N       124.664       124.664       124.431         0.233
RESID 766 (L):       HA         4.900         4.900         4.871         0.029
RESID 766 (L):       CA        52.339        52.339        53.606        -1.268
RESID 766 (L):       CB        42.339        42.339        43.431        -1.092
RESID 766 (L):        H         9.209         9.209         8.796         0.413
RESID 767 (G):        N       112.024       112.024       111.984         0.040
RESID 767 (G):       CA        44.123        44.123        43.871         0.252
RESID 767 (G):        H         8.910         8.910         9.142        -0.232
RESID 768 (P):       HA         4.318         4.318         4.570        -0.252
RESID 768 (P):       CA        67.127        67.127        66.108         1.019
RESID 768 (P):       CB        32.029        32.029        32.151        -0.123
RESID 769 (E):        N       115.246       115.246       117.835        -2.589
RESID 769 (E):       HA         3.971         3.971         4.176        -0.205
RESID 769 (E):       CA        59.621        59.621        58.922         0.699
RESID 769 (E):       CB        28.628        28.628        29.188        -0.560
RESID 769 (E):        H         8.622         8.622         9.019        -0.397
RESID 770 (E):        N       121.127       121.127       118.375         2.752
RESID 770 (E):       HA         4.272         4.272         4.296        -0.024
RESID 770 (E):       CA        58.497        58.497        58.383         0.114
RESID 770 (E):       CB        31.372        31.372        29.990         1.382
RESID 770 (E):        H         7.493         7.493         8.045        -0.552
RESID 771 (F):        N       117.688       117.688       122.595        -4.907
RESID 771 (F):       HA         4.355         4.355         4.339         0.016
RESID 771 (F):       CA        58.625        58.625        60.679        -2.054
RESID 771 (F):       CB        38.810        38.810        39.268        -0.458
RESID 771 (F):        H         9.110         9.110         8.979         0.131
RESID 772 (K):        N       119.789       119.789       118.727         1.062
RESID 772 (K):       HA         3.313         3.313         3.798        -0.485
RESID 772 (K):       CA        60.672        60.672        58.377         2.295
RESID 772 (K):       CB        31.979        31.979        31.033         0.946
RESID 772 (K):        H         8.594         8.594         8.118         0.476
RESID 773 (A):        N       118.461       118.461       120.807        -2.346
RESID 773 (A):       HA         3.881         3.881         4.019        -0.138
RESID 773 (A):       CA        55.013        55.013        53.781         1.232
RESID 773 (A):       CB        17.629        17.629        18.853        -1.224
RESID 773 (A):        H         7.231         7.231         7.493        -0.262
RESID 774 (C):        N       120.913       120.913       119.417         1.496
RESID 774 (C):       HA         2.435         2.435         2.969        -0.534
RESID 774 (C):       CA        61.174        61.174        61.813        -0.639
RESID 774 (C):       CB        26.215        26.215        27.273        -1.058
RESID 774 (C):        H         7.498         7.498         7.698        -0.200
RESID 775 (L):        N       119.201       119.201       118.602         0.599
RESID 775 (L):       HA         3.766         3.766         3.553         0.213
RESID 775 (L):       CA        57.932        57.932        56.375         1.557
RESID 775 (L):       CB        40.950        40.950        41.099        -0.149
RESID 775 (L):        H         8.372         8.372         7.608         0.764
RESID 776 (I):        N       121.051       121.051       118.511         2.540
RESID 776 (I):       HA         4.090         4.090         2.544         1.546
RESID 776 (I):       CA        65.244        65.244        64.129         1.115
RESID 776 (I):       CB        37.991        37.991        37.249         0.742
RESID 776 (I):        H         8.358         8.358         6.703         1.655
RESID 777 (S):        N       119.109       119.109       114.781         4.328
RESID 777 (S):       HA         4.291         4.291         4.182         0.109
RESID 777 (S):       CA        61.725        61.725        60.285         1.440
RESID 777 (S):       CB        62.995        62.995        63.198        -0.203
RESID 777 (S):        H         7.822         7.822         7.406         0.416
RESID 778 (L):        N       121.208       121.208       119.238         1.970
RESID 778 (L):       HA         4.506         4.506         4.456         0.050
RESID 778 (L):       CA        54.999        54.999        54.211         0.788
RESID 778 (L):       CB        42.670        42.670        42.618         0.051
RESID 778 (L):        H         7.671         7.671         7.135         0.536
RESID 779 (G):        N       106.232       106.232       106.123         0.109
RESID 779 (G):       CA        45.287        45.287        44.970         0.317
RESID 779 (G):        H         7.897         7.897         7.396         0.501
RESID 780 (Y):        N       120.772       120.772       119.543         1.229
RESID 780 (Y):       HA         4.142         4.142         4.523        -0.381
RESID 780 (Y):       CA        59.231        59.231        55.267         3.964
RESID 780 (Y):       CB        38.341        38.341        38.451        -0.110
RESID 780 (Y):        H         8.072         8.072         7.461         0.611
RESID 781 (D):        N       124.304       124.304       117.661         6.643
RESID 781 (D):       HA         4.665         4.665         4.722        -0.057
RESID 781 (D):       CA        53.148        53.148        53.617        -0.469
RESID 781 (D):       CB        39.804        39.804        40.276        -0.472
RESID 781 (D):        H         8.862         8.862         9.140        -0.278
RESID 782 (I):        N       122.271       122.271       112.497         9.774
RESID 782 (I):       HA         4.341         4.341         4.448        -0.107
RESID 782 (I):       CA        58.992        58.992        59.080        -0.088
RESID 782 (I):       CB        37.907        37.907        40.599        -2.692
RESID 782 (I):        H         7.344         7.344         6.957         0.387
RESID 783 (G):        N       112.322       112.322       105.266         7.056
RESID 783 (G):       CA        44.523        44.523        44.673        -0.150
RESID 783 (G):        H         8.122         8.122         8.145        -0.023
RESID 784 (N):        N       118.727       118.727       117.517         1.210
RESID 784 (N):       HA         4.882         4.882         4.677         0.205
RESID 784 (N):       CA        52.098        52.098        52.856        -0.758
RESID 784 (N):       CB        37.424        37.424        38.560        -1.136
RESID 784 (N):        H         8.452         8.452         8.526        -0.074
RESID 785 (D):        N       119.826       119.826       122.255        -2.429
RESID 785 (D):       HA         4.778         4.778         4.748         0.030
RESID 785 (D):       CA        52.164        52.164        52.612        -0.448
RESID 785 (D):       CB        39.657        39.657        40.917        -1.260
RESID 785 (D):        H         8.145         8.145         7.771         0.374
RESID 786 (P):       HA         4.271         4.271         4.226         0.045
RESID 786 (P):       CA        66.265        66.265        65.429         0.836
RESID 786 (P):       CB        32.011        32.011        32.178        -0.167
RESID 787 (Q):        N       118.097       118.097       117.545         0.552
RESID 787 (Q):       HA         4.141         4.141         4.215        -0.074
RESID 787 (Q):       CA        59.115        59.115        58.133         0.982
RESID 787 (Q):       CB        27.732        27.732        28.342        -0.610
RESID 787 (Q):        H         8.409         8.409         8.376         0.033
RESID 788 (G):        N       113.421       113.421       108.942         4.479
RESID 788 (G):       CA        47.317        47.317        46.710         0.607
RESID 788 (G):        H         8.644         8.644         8.420         0.224
RESID 789 (E):        N       121.223       121.223       121.962        -0.739
RESID 789 (E):       HA         4.148         4.148         4.180        -0.032
RESID 789 (E):       CA        59.344        59.344        58.989         0.355
RESID 789 (E):       CB        29.435        29.435        29.688        -0.253
RESID 789 (E):        H         8.514         8.514         8.511         0.003
RESID 790 (A):        N       122.879       122.879       122.625         0.254
RESID 790 (A):       HA         4.247         4.247         4.213         0.034
RESID 790 (A):       CA        54.907        54.907        55.113        -0.206
RESID 790 (A):       CB        17.780        17.780        18.343        -0.563
RESID 790 (A):        H         8.024         8.024         7.586         0.438
RESID 791 (E):        N       122.622       122.622       119.151         3.471
RESID 791 (E):       HA         4.687         4.687         4.099         0.588
RESID 791 (E):       CA        58.134        58.134        58.613        -0.479
RESID 791 (E):       CB        29.061        29.061        29.444        -0.383
RESID 791 (E):        H         8.280         8.280         7.828         0.452
RESID 792 (F):        N       119.949       119.949       121.386        -1.437
RESID 792 (F):       HA         4.038         4.038         4.203        -0.165
RESID 792 (F):       CA        61.812        61.812        61.363         0.449
RESID 792 (F):       CB        38.598        38.598        38.676        -0.078
RESID 792 (F):        H         8.722         8.722         8.803        -0.081
RESID 793 (A):        N       119.652       119.652       121.558        -1.906
RESID 793 (A):       HA         3.854         3.854         3.449         0.405
RESID 793 (A):       CA        54.902        54.902        54.647         0.255
RESID 793 (A):       CB        17.628        17.628        17.948        -0.320
RESID 793 (A):        H         8.163         8.163         7.922         0.241
RESID 794 (R):        N       121.092       121.092       119.186         1.906
RESID 794 (R):       HA         3.910         3.910         4.001        -0.091
RESID 794 (R):       CA        59.471        59.471        59.079         0.392
RESID 794 (R):       CB        30.092        30.092        30.210        -0.118
RESID 794 (R):        H         8.034         8.034         7.646         0.388
RESID 795 (I):        N       121.394       121.394       120.251         1.143
RESID 795 (I):       HA         3.388         3.388         3.740        -0.352
RESID 795 (I):       CA        65.848        65.848        64.963         0.885
RESID 795 (I):       CB        38.209        38.209        38.307        -0.098
RESID 795 (I):        H         8.049         8.049         7.833         0.216
RESID 796 (M):        N       119.012       119.012       118.203         0.809
RESID 796 (M):       HA         4.155         4.155         3.892         0.263
RESID 796 (M):       CA        56.470        56.470        58.052        -1.582
RESID 796 (M):       CB        29.892        29.892        31.567        -1.675
RESID 796 (M):        H         8.589         8.589         8.122         0.467
RESID 797 (S):        N       114.132       114.132       112.567         1.565
RESID 797 (S):       HA         4.097         4.097         4.319        -0.222
RESID 797 (S):       CA        61.231        61.231        59.803         1.428
RESID 797 (S):       CB        62.895        62.895        63.411        -0.516
RESID 797 (S):        H         7.732         7.732         7.545         0.187
RESID 798 (I):        N       120.873       120.873       116.003         4.870
RESID 798 (I):       HA         3.818         3.818         4.249        -0.431
RESID 798 (I):       CA        63.875        63.875        62.744         1.131
RESID 798 (I):       CB        38.863        38.863        38.993        -0.130
RESID 798 (I):        H         7.352         7.352         7.808        -0.456
RESID 799 (V):        N       110.552       110.552       114.079        -3.527
RESID 799 (V):       HA         4.243         4.243         4.052         0.191
RESID 799 (V):       CA        62.616        62.616        61.645         0.971
RESID 799 (V):       CB        32.416        32.416        31.010         1.406
RESID 799 (V):        H         7.648         7.648         7.689        -0.041
RESID 800 (D):        N       119.435       119.435       118.658         0.777
RESID 800 (D):       HA         5.225         5.225         5.081         0.144
RESID 800 (D):       CA        51.715        51.715        50.177         1.538
RESID 800 (D):       CB        41.086        41.086        40.904         0.182
RESID 800 (D):        H         8.074         8.074         8.073         0.001
RESID 801 (P):       HA         4.331         4.331         4.319         0.012
RESID 801 (P):       CA        64.819        64.819        64.197         0.622
RESID 801 (P):       CB        31.689        31.689        31.634         0.055
RESID 802 (N):        N       115.164       115.164       115.819        -0.655
RESID 802 (N):       HA         4.760         4.760         4.713         0.047
RESID 802 (N):       CA        52.998        52.998        52.808         0.190
RESID 802 (N):       CB        37.952        37.952        39.328        -1.376
RESID 802 (N):        H         8.949         8.949         8.103         0.846
RESID 803 (R):        N       117.446       117.446       116.326         1.120
RESID 803 (R):       HA         3.830         3.830         4.273        -0.443
RESID 803 (R):       CA        56.888        56.888        56.850         0.038
RESID 803 (R):       CB        26.354        26.354        27.289        -0.935
RESID 803 (R):        H         7.958         7.958         8.319        -0.361
RESID 804 (L):        N       123.307       123.307       116.738         6.569
RESID 804 (L):       HA         4.156         4.156         4.677        -0.521
RESID 804 (L):       CA        56.373        56.373        54.239         2.134
RESID 804 (L):       CB        42.930        42.930        41.453         1.477
RESID 804 (L):        H        10.591        10.591         7.709         2.882
RESID 805 (G):        N       110.516       110.516       106.854         3.662
RESID 805 (G):       CA        44.944        44.944        45.802        -0.858
RESID 805 (G):        H        11.001        11.001         8.056         2.945
RESID 806 (V):        N       109.840       109.840       114.610        -4.770
RESID 806 (V):       HA         4.571         4.571         4.287         0.284
RESID 806 (V):       CA        58.566        58.566        59.879        -1.313
RESID 806 (V):       CB        36.853        36.853        34.990         1.863
RESID 806 (V):        H         6.831         6.831         7.204        -0.373
RESID 807 (V):        N       122.184       122.184       122.213        -0.029
RESID 807 (V):       HA         4.167         4.167         4.417        -0.250
RESID 807 (V):       CA        61.644        61.644        60.748         0.896
RESID 807 (V):       CB        32.383        32.383        30.699         1.684
RESID 807 (V):        H         9.007         9.007         8.848         0.159
RESID 808 (T):        N       117.391       117.391       116.602         0.789
RESID 808 (T):       HA         4.593         4.593         4.948        -0.355
RESID 808 (T):       CA        60.615        60.615        59.045         1.570
RESID 808 (T):       CB        70.695        70.695        71.523        -0.828
RESID 808 (T):        H         7.925         7.925         7.383         0.542
RESID 809 (F):        N       122.236       122.236       119.066         3.170
RESID 809 (F):       HA         3.640         3.640         4.447        -0.807
RESID 809 (F):       CA        61.749        61.749        61.353         0.396
RESID 809 (F):       CB        38.177        38.177        37.346         0.831
RESID 809 (F):        H         9.349         9.349         9.198         0.151
RESID 810 (Q):        N       116.788       116.788       116.972        -0.184
RESID 810 (Q):       HA         3.598         3.598         4.059        -0.461
RESID 810 (Q):       CA        58.582        58.582        57.711         0.871
RESID 810 (Q):       CB        28.199        28.199        28.045         0.154
RESID 810 (Q):        H         8.572         8.572         7.207         1.365
RESID 811 (A):        N       121.208       121.208       121.760        -0.552
RESID 811 (A):       HA         4.119         4.119         4.140        -0.021
RESID 811 (A):       CA        54.911        54.911        53.682         1.229
RESID 811 (A):       CB        19.265        19.265        18.833         0.432
RESID 811 (A):        H         7.667         7.667         7.466         0.201
RESID 812 (F):        N       119.805       119.805       118.913         0.892
RESID 812 (F):       HA         3.980         3.980         4.368        -0.388
RESID 812 (F):       CA        61.740        61.740        62.052        -0.312
RESID 812 (F):       CB        39.670        39.670        38.681         0.989
RESID 812 (F):        H         8.400         8.400         8.380         0.020
RESID 813 (I):        N       118.098       118.098       118.627        -0.529
RESID 813 (I):       HA         3.146         3.146         3.968        -0.822
RESID 813 (I):       CA        63.299        63.299        62.590         0.709
RESID 813 (I):       CB        36.202        36.202        36.319        -0.117
RESID 813 (I):        H         8.364         8.364         7.786         0.578
RESID 814 (D):        N       123.528       123.528       120.544         2.984
RESID 814 (D):       HA         4.196         4.196         4.338        -0.142
RESID 814 (D):       CA        57.680        57.680        57.494         0.186
RESID 814 (D):       CB        40.236        40.236        40.670        -0.434
RESID 814 (D):        H         8.221         8.221         7.847         0.374
RESID 815 (F):        N       120.584       120.584       120.151         0.433
RESID 815 (F):       HA         4.129         4.129         4.422        -0.293
RESID 815 (F):       CA        61.084        61.084        60.500         0.584
RESID 815 (F):       CB        39.698        39.698        39.609         0.089
RESID 815 (F):        H         7.887         7.887         7.795         0.092
RESID 816 (M):        N       116.960       116.960       118.209        -1.249
RESID 816 (M):       HA         3.782         3.782         4.097        -0.315
RESID 816 (M):       CA        55.662        55.662        57.088        -1.426
RESID 816 (M):       CB        30.033        30.033        31.645        -1.612
RESID 816 (M):        H         8.372         8.372         7.999         0.373
RESID 817 (S):        N       114.277       114.277       112.303         1.974
RESID 817 (S):       HA         4.194         4.194         4.385        -0.191
RESID 817 (S):       CA        60.521        60.521        59.901         0.620
RESID 817 (S):       CB        63.185        63.185        63.488        -0.303
RESID 817 (S):        H         8.074         8.074         8.249        -0.175
RESID 818 (R):        N       121.493       121.493       121.654        -0.161
RESID 818 (R):       HA         4.124         4.124         4.052         0.072
RESID 818 (R):       CA        57.684        57.684        57.981        -0.297
RESID 818 (R):       CB        30.315        30.315        29.433         0.882
RESID 818 (R):        H         7.288         7.288         7.825        -0.537
RESID 819 (E):        N       119.737       119.737       117.916         1.821
RESID 819 (E):       HA         4.101         4.101         4.124        -0.023
RESID 819 (E):       CA        57.066        57.066        58.322        -1.256
RESID 819 (E):       CB        30.491        30.491        29.012         1.479
RESID 819 (E):        H         8.045         8.045         7.560         0.485
RESID 820 (T):        N       112.128       112.128       109.991         2.137
RESID 820 (T):       HA         4.280         4.280         3.801         0.479
RESID 820 (T):       CA        62.055        62.055        62.446        -0.391
RESID 820 (T):       CB        69.828        69.828        68.605         1.223
RESID 820 (T):        H         7.760         7.760         7.396         0.364
RESID 821 (A):        N       126.098       126.098       122.431         3.667
RESID 821 (A):       HA         4.284         4.284         4.246         0.038
RESID 821 (A):       CA        52.726        52.726        50.203         2.523
RESID 821 (A):       CB        19.304        19.304        21.166        -1.862
RESID 821 (A):        H         7.957         7.957         7.129         0.828
RESID 822 (D):        N       119.904       119.904       119.534         0.370
RESID 822 (D):       HA         4.613         4.613         4.743        -0.130
RESID 822 (D):       CA        54.335        54.335        53.859         0.476
RESID 822 (D):       CB        41.032        41.032        42.007        -0.975
RESID 822 (D):        H         8.352         8.352         8.337         0.015
RESID 823 (T):        N       114.142       114.142       112.599         1.543
RESID 823 (T):       HA         4.278         4.278         4.621        -0.343
RESID 823 (T):       CA        62.117        62.117        61.167         0.950
RESID 823 (T):       CB        69.584        69.584        72.201        -2.617
RESID 823 (T):        H         8.079         8.079         8.291        -0.212
RESID 824 (D):        N       123.261       123.261       122.826         0.435
RESID 824 (D):       HA         4.657         4.657         4.456         0.201
RESID 824 (D):       CA        54.786        54.786        57.239        -2.454
RESID 824 (D):       CB        41.085        41.085        40.748         0.337
RESID 824 (D):        H         8.431         8.431         8.948        -0.517
RESID 825 (T):        N       114.932       114.932       112.017         2.915
RESID 825 (T):       HA         4.161         4.161         4.237        -0.076
RESID 825 (T):       CA        63.109        63.109        64.318        -1.209
RESID 825 (T):       CB        69.455        69.455        68.381         1.074
RESID 825 (T):        H         8.155         8.155         8.434        -0.279
RESID 826 (A):        N       124.961       124.961       125.012        -0.051
RESID 826 (A):       HA         4.160         4.160         3.960         0.200
RESID 826 (A):       CA        54.392        54.392        55.000        -0.608
RESID 826 (A):       CB        18.610        18.610        18.384         0.226
RESID 826 (A):        H         8.379         8.379         7.514         0.865
RESID 827 (D):        N       117.765       117.765       117.275         0.490
RESID 827 (D):       HA         4.425         4.425         4.415         0.010
RESID 827 (D):       CA        56.051        56.051        56.656        -0.605
RESID 827 (D):       CB        40.559        40.559        41.003        -0.444
RESID 827 (D):        H         8.250         8.250         7.872         0.378
RESID 828 (Q):        N       120.523       120.523       117.320         3.203
RESID 828 (Q):       HA         4.091         4.091         4.215        -0.124
RESID 828 (Q):       CA        57.814        57.814        57.875        -0.061
RESID 828 (Q):       CB        28.549        28.549        29.366        -0.817
RESID 828 (Q):        H         8.076         8.076         7.853         0.223
RESID 829 (V):        N       120.970       120.970       121.513        -0.543
RESID 829 (V):       HA         3.525         3.525         3.710        -0.185
RESID 829 (V):       CA        65.194        65.194        64.934         0.260
RESID 829 (V):       CB        31.541        31.541        31.985        -0.444
RESID 829 (V):        H         8.051         8.051         7.393         0.658
RESID 830 (M):        N       119.572       119.572       117.358         2.214
RESID 830 (M):       HA         4.006         4.006         3.368         0.638
RESID 830 (M):       CA        57.977        57.977        56.822         1.155
RESID 830 (M):       CB        31.995        31.995        30.911         1.084
RESID 830 (M):        H         8.110         8.110         8.280        -0.170
RESID 831 (A):        N       121.059       121.059       122.896        -1.837
RESID 831 (A):       HA         4.045         4.045         4.031         0.014
RESID 831 (A):       CA        54.501        54.501        54.769        -0.268
RESID 831 (A):       CB        18.067        18.067        17.768         0.299
RESID 831 (A):        H         7.836         7.836         7.536         0.300
RESID 832 (S):        N       114.256       114.256       115.304        -1.048
RESID 832 (S):       HA         4.141         4.141         4.103         0.038
RESID 832 (S):       CA        60.845        60.845        61.237        -0.392
RESID 832 (S):       CB        62.613        62.613        62.766        -0.153
RESID 832 (S):        H         7.714         7.714         7.830        -0.116
RESID 833 (F):        N       121.847       121.847       121.427         0.420
RESID 833 (F):       HA         3.823         3.823         4.221        -0.398
RESID 833 (F):       CA        58.627        58.627        58.985        -0.358
RESID 833 (F):       CB        38.127        38.127        37.420         0.707
RESID 833 (F):        H         7.740         7.740         7.616         0.124
RESID 834 (K):        N       118.759       118.759       120.026        -1.267
RESID 834 (K):       HA         3.589         3.589         3.528         0.061
RESID 834 (K):       CA        59.384        59.384        58.081         1.303
RESID 834 (K):       CB        32.143        32.143        31.715         0.428
RESID 834 (K):        H         7.843         7.843         7.589         0.254
RESID 835 (I):        N       118.537       118.537       120.100        -1.563
RESID 835 (I):       HA         3.736         3.736         3.722         0.014
RESID 835 (I):       CA        63.714        63.714        64.618        -0.904
RESID 835 (I):       CB        37.825        37.825        37.990        -0.166
RESID 835 (I):        H         7.315         7.315         7.231         0.084
RESID 836 (L):        N       121.201       121.201       119.737         1.464
RESID 836 (L):       HA         3.955         3.955         3.880         0.075
RESID 836 (L):       CA        57.074        57.074        57.044         0.030
RESID 836 (L):       CB        42.415        42.415        42.054         0.361
RESID 836 (L):        H         7.625         7.625         8.060        -0.435
RESID 837 (A):        N       119.184       119.184       118.664         0.520
RESID 837 (A):       HA         3.895         3.895         4.006        -0.111
RESID 837 (A):       CA        53.301        53.301        53.554        -0.253
RESID 837 (A):       CB        19.338        19.338        19.128         0.210
RESID 837 (A):        H         8.099         8.099         7.696         0.403
RESID 838 (G):        N       107.030       107.030       107.191        -0.161
RESID 838 (G):       CA        46.918        46.918        46.730         0.188
RESID 838 (G):        H         7.676         7.676         7.975        -0.299
RESID 839 (D):        N       122.291       122.291       124.164        -1.873
RESID 839 (D):       HA         4.477         4.477         4.847        -0.370
RESID 839 (D):       CA        54.511        54.511        53.965         0.546
RESID 839 (D):       CB        40.181        40.181        42.586        -2.405
RESID 839 (D):        H         8.704         8.704         8.103         0.601
RESID 840 (K):        N       117.582       117.582       121.094        -3.512
RESID 840 (K):       HA         4.301         4.301         4.500        -0.199
RESID 840 (K):       CA        55.780        55.780        56.032        -0.252
RESID 840 (K):       CB        33.710        33.710        32.912         0.798
RESID 840 (K):        H         7.583         7.583         7.369         0.214
RESID 841 (N):        N       116.678       116.678       116.760        -0.082
RESID 841 (N):       HA         4.611         4.611         4.760        -0.149
RESID 841 (N):       CA        53.466        53.466        53.218         0.248
RESID 841 (N):       CB        39.155        39.155        38.818         0.337
RESID 841 (N):        H         8.693         8.693         8.875        -0.182
RESID 842 (Y):        N       112.236       112.236       113.883        -1.647
RESID 842 (Y):       HA         4.986         4.986         4.875         0.111
RESID 842 (Y):       CA        54.918        54.918        56.225        -1.307
RESID 842 (Y):       CB        40.595        40.595        41.217        -0.622
RESID 842 (Y):        H         6.637         6.637         7.194        -0.557
RESID 843 (I):        N       115.475       115.475       120.781        -5.306
RESID 843 (I):       HA         4.792         4.792         4.683         0.109
RESID 843 (I):       CA        58.957        58.957        58.321         0.636
RESID 843 (I):       CB        43.009        43.009        43.145        -0.136
RESID 843 (I):        H         8.630         8.630         9.227        -0.597
RESID 844 (T):        N       117.169       117.169       118.125        -0.956
RESID 844 (T):       HA         5.370         5.370         5.279         0.091
RESID 844 (T):       CA        60.177        60.177        60.077         0.100
RESID 844 (T):       CB        71.088        71.088        70.711         0.377
RESID 844 (T):        H         9.330         9.330         9.434        -0.104
RESID 845 (M):        N       119.860       119.860       120.506        -0.646
RESID 845 (M):       HA         3.824         3.824         3.987        -0.163
RESID 845 (M):       CA        60.321        60.321        60.514        -0.193
RESID 845 (M):       CB        33.030        33.030        32.063         0.967
RESID 845 (M):        H         8.556         8.556         8.697        -0.141
RESID 846 (D):        N       116.363       116.363       118.643        -2.280
RESID 846 (D):       HA         4.280         4.280         4.373        -0.093
RESID 846 (D):       CA        57.404        57.404        57.252         0.152
RESID 846 (D):       CB        40.584        40.584        40.759        -0.175
RESID 846 (D):        H         8.377         8.377         8.654        -0.277
RESID 847 (E):        N       120.577       120.577       119.417         1.160
RESID 847 (E):       HA         3.854         3.854         4.074        -0.220
RESID 847 (E):       CA        59.657        59.657        59.156         0.501
RESID 847 (E):       CB        29.660        29.660        29.718        -0.058
RESID 847 (E):        H         7.855         7.855         7.566         0.289
RESID 848 (L):        N       118.714       118.714       119.236        -0.522
RESID 848 (L):       HA         3.822         3.822         4.078        -0.256
RESID 848 (L):       CA        58.725        58.725        57.433         1.292
RESID 848 (L):       CB        42.457        42.457        42.050         0.407
RESID 848 (L):        H         7.849         7.849         7.445         0.404
RESID 849 (R):        N       113.972       113.972       115.403        -1.431
RESID 849 (R):       HA         3.924         3.924         4.387        -0.463
RESID 849 (R):       CA        58.595        58.595        57.242         1.353
RESID 849 (R):       CB        30.100        30.100        29.433         0.667
RESID 849 (R):        H         8.053         8.053         7.639         0.414
RESID 850 (R):        N       118.178       118.178       118.034         0.144
RESID 850 (R):       HA         4.193         4.193         4.406        -0.213
RESID 850 (R):       CA        58.245        58.245        57.071         1.174
RESID 850 (R):       CB        31.120        31.120        31.535        -0.415
RESID 850 (R):        H         7.743         7.743         7.410         0.333
RESID 851 (E):        N       115.518       115.518       119.262        -3.744
RESID 851 (E):       HA         4.350         4.350         4.327         0.023
RESID 851 (E):       CA        56.886        56.886        57.923        -1.037
RESID 851 (E):       CB        31.590        31.590        31.139         0.451
RESID 851 (E):        H         7.596         7.596         7.798        -0.202
RESID 852 (L):        N       119.148       119.148       121.440        -2.292
RESID 852 (L):       HA         4.894         4.894         5.267        -0.373
RESID 852 (L):       CA        52.174        52.174        51.400         0.774
RESID 852 (L):       CB        42.469        42.469        42.169         0.301
RESID 852 (L):        H         7.890         7.890         7.751         0.139
RESID 853 (P):       HA         4.347         4.347         4.459        -0.112
RESID 853 (P):       CA        65.119        65.119        63.953         1.166
RESID 853 (P):       CB        31.631        31.631        30.315         1.316
RESID 854 (P):       HA         4.270         4.270         4.470        -0.200
RESID 854 (P):       CA        66.336        66.336        61.907         4.429
RESID 854 (P):       CB        32.256        32.256        33.105        -0.849
RESID 855 (D):        N       114.865       114.865       119.232        -4.367
RESID 855 (D):       HA         4.349         4.349         4.319         0.030
RESID 855 (D):       CA        56.913        56.913        56.838         0.075
RESID 855 (D):       CB        39.244        39.244        40.674        -1.430
RESID 855 (D):        H         8.801         8.801         8.241         0.560
RESID 856 (Q):        N       121.465       121.465       119.157         2.308
RESID 856 (Q):       HA         4.199         4.199         4.259        -0.060
RESID 856 (Q):       CA        58.317        58.317        59.253        -0.936
RESID 856 (Q):       CB        29.247        29.247        28.473         0.774
RESID 856 (Q):        H         7.472         7.472         8.582        -1.110
RESID 857 (A):        N       122.805       122.805       122.267         0.538
RESID 857 (A):       HA         3.799         3.799         3.924        -0.125
RESID 857 (A):       CA        56.303        56.303        56.050         0.253
RESID 857 (A):       CB        17.944        17.944        18.254        -0.310
RESID 857 (A):        H         8.882         8.882         8.121         0.761
RESID 858 (E):        N       114.094       114.094       118.482        -4.388
RESID 858 (E):       HA         4.024         4.024         4.047        -0.023
RESID 858 (E):       CA        58.682        58.682        58.614         0.068
RESID 858 (E):       CB        28.639        28.639        29.101        -0.462
RESID 858 (E):        H         8.155         8.155         7.977         0.178
RESID 859 (Y):        N       120.665       120.665       122.520        -1.855
RESID 859 (Y):       HA         4.084         4.084         4.167        -0.083
RESID 859 (Y):       CA        61.006        61.006        60.854         0.152
RESID 859 (Y):       CB        38.687        38.687        38.101         0.586
RESID 859 (Y):        H         7.708         7.708         8.419        -0.711
RESID 860 (C):        N       115.812       115.812       117.950        -2.138
RESID 860 (C):       HA         4.158         4.158         3.343         0.815
RESID 860 (C):       CA        64.254        64.254        64.206         0.048
RESID 860 (C):       CB        27.304        27.304        27.056         0.248
RESID 860 (C):        H         8.113         8.113         7.935         0.178
RESID 861 (I):        N       120.078       120.078       120.049         0.029
RESID 861 (I):       HA         3.339         3.339         3.633        -0.294
RESID 861 (I):       CA        65.643        65.643        65.229         0.414
RESID 861 (I):       CB        38.714        38.714        37.738         0.976
RESID 861 (I):        H         8.453         8.453         7.780         0.673
RESID 862 (A):        N       116.691       116.691       122.278        -5.587
RESID 862 (A):       HA         4.209         4.209         4.042         0.167
RESID 862 (A):       CA        53.222        53.222        55.035        -1.813
RESID 862 (A):       CB        19.002        19.002        18.878         0.124
RESID 862 (A):        H         7.307         7.307         8.252        -0.945
RESID 863 (R):        N       117.226       117.226       115.902         1.324
RESID 863 (R):       HA         4.274         4.274         4.437        -0.163
RESID 863 (R):       CA        56.051        56.051        56.638        -0.587
RESID 863 (R):       CB        31.389        31.389        30.685         0.704
RESID 863 (R):        H         7.358         7.358         7.549        -0.191
RESID 864 (M):        N       117.583       117.583       118.743        -1.160
RESID 864 (M):       HA         4.561         4.561         4.390         0.171
RESID 864 (M):       CA        54.927        54.927        56.114        -1.187
RESID 864 (M):       CB        37.418        37.418        34.198         3.220
RESID 864 (M):        H         7.153         7.153         7.443        -0.290
RESID 865 (A):        N       124.643       124.643       126.010        -1.367
RESID 865 (A):       HA         3.866         3.866         4.596        -0.730
RESID 865 (A):       CA        49.194        49.194        49.995        -0.801
RESID 865 (A):       CB        18.647        18.647        18.300         0.347
RESID 865 (A):        H         8.557         8.557         8.171         0.386
RESID 866 (P):       HA         4.496         4.496         4.525        -0.029
RESID 866 (P):       CA        62.724        62.724        62.832        -0.108
RESID 866 (P):       CB        31.980        31.980        30.455         1.525
RESID 867 (Y):        N       122.461       122.461       125.924        -3.463
RESID 867 (Y):       HA         4.728         4.728         4.605         0.123
RESID 867 (Y):       CA        57.096        57.096        56.490         0.606
RESID 867 (Y):       CB        39.175        39.175        37.563         1.612
RESID 867 (Y):        H         8.128         8.128         8.135        -0.007
RESID 868 (T):       HA         4.351         4.351         4.771        -0.420
RESID 868 (T):       CA        60.271        60.271        59.892         0.379
RESID 868 (T):       CB        68.737        68.737        71.668        -2.931
RESID 869 (G):       CA        44.914        44.914        44.715         0.199
RESID 870 (P):       HA         4.329         4.329         4.453        -0.124
RESID 870 (P):       CA        64.697        64.697        63.914         0.783
RESID 870 (P):       CB        31.579        31.579        32.242        -0.663
RESID 871 (D):        N       116.207       116.207       118.006        -1.799
RESID 871 (D):       HA         4.604         4.604         4.738        -0.134
RESID 871 (D):       CA        52.749        52.749        53.540        -0.791
RESID 871 (D):       CB        38.929        38.929        41.146        -2.217
RESID 871 (D):        H         9.267         9.267         8.484         0.783
RESID 872 (S):        N       112.349       112.349       114.119        -1.770
RESID 872 (S):       HA         3.497         3.497         4.679        -1.182
RESID 872 (S):       CA        59.065        59.065        56.773         2.292
RESID 872 (S):       CB        63.125        63.125        64.605        -1.480
RESID 872 (S):        H         7.487         7.487         7.323         0.164
RESID 873 (V):        N       113.567       113.567       113.763        -0.196
RESID 873 (V):       HA         4.729         4.729         4.646         0.083
RESID 873 (V):       CA        58.044        58.044        57.888         0.156
RESID 873 (V):       CB        32.911        32.911        32.945        -0.034
RESID 873 (V):        H         6.411         6.411         8.298        -1.887
RESID 874 (P):       HA         4.296         4.296         4.468        -0.172
RESID 874 (P):       CA        64.335        64.335        63.006         1.329
RESID 874 (P):       CB        31.515        31.515        30.908         0.607
RESID 875 (G):        N       112.118       112.118       106.243         5.875
RESID 875 (G):       CA        45.557        45.557        45.592        -0.035
RESID 875 (G):        H         8.800         8.800         7.415         1.385
RESID 876 (A):        N       120.262       120.262       123.902        -3.640
RESID 876 (A):       HA         4.100         4.100         5.641        -1.541
RESID 876 (A):       CA        53.073        53.073        50.239         2.834
RESID 876 (A):       CB        20.508        20.508        21.795        -1.287
RESID 876 (A):        H         7.762         7.762         7.632         0.130
RESID 877 (L):        N       125.695       125.695       121.005         4.690
RESID 877 (L):       HA         4.776         4.776         5.200        -0.424
RESID 877 (L):       CA        54.269        54.269        53.727         0.542
RESID 877 (L):       CB        44.799        44.799        47.074        -2.275
RESID 877 (L):        H         9.595         9.595         9.385         0.210
RESID 878 (D):        N       119.823       119.823       121.558        -1.735
RESID 878 (D):       HA         4.879         4.879         4.520         0.359
RESID 878 (D):       CA        51.997        51.997        52.258        -0.261
RESID 878 (D):       CB        40.781        40.781        41.417        -0.636
RESID 878 (D):        H         9.031         9.031         8.019         1.012
RESID 879 (Y):        N       126.556       126.556       123.637         2.919
RESID 879 (Y):       HA         4.591         4.591         4.255         0.336
RESID 879 (Y):       CA        59.396        59.396        60.187        -0.791
RESID 879 (Y):       CB        37.321        37.321        37.629        -0.308
RESID 879 (Y):        H         7.456         7.456         7.896        -0.440
RESID 880 (M):        N       119.958       119.958       113.407         6.551
RESID 880 (M):       HA         4.605         4.605         4.908        -0.303
RESID 880 (M):       CA        56.044        56.044        57.126        -1.081
RESID 880 (M):       CB        30.101        30.101        33.519        -3.418
RESID 880 (M):        H         7.627         7.627         7.415         0.212
RESID 881 (S):        N       114.328       114.328       116.063        -1.735
RESID 881 (S):       HA         4.471         4.471         4.600        -0.129
RESID 881 (S):       CA        58.917        58.917        57.420         1.497
RESID 881 (S):       CB        64.447        64.447        63.519         0.928
RESID 881 (S):        H         7.726         7.726         8.237        -0.511
RESID 882 (F):        N       122.735       122.735       119.919         2.816
RESID 882 (F):       HA         4.722         4.722         4.353         0.369
RESID 882 (F):       CA        59.231        59.231        57.614         1.617
RESID 882 (F):       CB        40.285        40.285        39.135         1.150
RESID 882 (F):        H         7.385         7.385         7.407        -0.022
RESID 883 (S):        N       120.156       120.156       116.576         3.580
RESID 883 (S):       HA         4.299         4.299         4.425        -0.126
RESID 883 (S):       CA        57.280        57.280        57.513        -0.233
RESID 883 (S):       CB        64.601        64.601        63.449         1.152
RESID 883 (S):        H         7.472         7.472         8.480        -1.008
RESID 884 (T):        N       110.683       110.683       119.311        -8.628
RESID 884 (T):       HA         3.966         3.966         4.304        -0.338
RESID 884 (T):       CA        63.465        63.465        63.630        -0.165
RESID 884 (T):       CB        68.899        68.899        68.785         0.114
RESID 884 (T):        H         7.996         7.996         8.407        -0.411
RESID 885 (A):        N       125.456       125.456       122.900         2.556
RESID 885 (A):       HA         4.236         4.236         4.400        -0.164
RESID 885 (A):       CA        52.030        52.030        51.651         0.379
RESID 885 (A):       CB        19.225        19.225        19.053         0.172
RESID 885 (A):        H         7.905         7.905         7.443         0.462
RESID 886 (L):        N       120.638       120.638       116.511         4.127
RESID 886 (L):       HA         4.002         4.002         3.756         0.246
RESID 886 (L):       CA        55.462        55.462        55.894        -0.432
RESID 886 (L):       CB        42.265        42.265        40.664         1.601
RESID 886 (L):        H         8.079         8.079         7.259         0.820
RESID 887 (Y):        N       121.526       121.526       117.441         4.085
RESID 887 (Y):       HA         4.356         4.356         4.450        -0.094
RESID 887 (Y):       CA        58.750        58.750        59.094        -0.344
RESID 887 (Y):       CB        38.569        38.569        38.336         0.234
RESID 887 (Y):        H         8.267         8.267         7.781         0.486
RESID 888 (G):        N       112.379       112.379       107.256         5.123
RESID 888 (G):       CA        45.090        45.090        45.118        -0.028
RESID 888 (G):        H         8.087         8.087         8.200        -0.113
RESID 889 (E):        N       120.255       120.255       121.352        -1.097
RESID 889 (E):       HA         4.256         4.256         4.635        -0.379
RESID 889 (E):       CA        56.445        56.445        55.268         1.177
RESID 889 (E):       CB        30.393        30.393        32.190        -1.796
RESID 889 (E):        H         7.994         7.994         8.595        -0.601
RESID 890 (S):        N       116.375       116.375       117.572        -1.197
RESID 890 (S):       HA         4.415         4.415         4.476        -0.061
RESID 890 (S):       CA        58.204        58.204        57.975         0.229
RESID 890 (S):       CB        63.913        63.913        63.871         0.042
RESID 890 (S):        H         8.329         8.329         8.436        -0.107
RESID 891 (D):        N       123.017       123.017       123.392        -0.375
RESID 891 (D):       HA         4.610         4.610         4.799        -0.189
RESID 891 (D):       CA        54.371        54.371        53.911         0.459
RESID 891 (D):       CB        41.013        41.013        40.915         0.098
RESID 891 (D):        H         8.394         8.394         8.442        -0.048

                         N          HA           C          CA          CB           H
RESID 743 (I):       1.430       0.204       -----      -1.455       0.341       0.126
RESID 744 (S):       1.951      -0.126       -----       0.517       0.524       0.456
RESID 745 (Q):      -1.885      -0.164       -----      -0.341      -0.306       0.051
RESID 746 (E):      -0.973      -0.128       -----       1.234      -0.643       1.001
RESID 747 (Q):       0.304      -0.637       -----      -0.529       0.733      -0.623
RESID 748 (M):       3.631      -0.229       -----      -1.185      -1.458       0.231
RESID 749 (N):      -1.132      -0.010       -----      -0.154      -1.120       0.738
RESID 750 (E):       3.424       0.093       -----       0.850      -0.391      -0.558
RESID 751 (F):      -2.683       0.689       -----      -1.361      -1.597       0.169
RESID 752 (R):       0.234       0.231       -----       1.386       1.338       1.048
RESID 753 (A):      -1.168      -0.173       -----       0.820       0.016       0.333
RESID 754 (S):       0.423       0.248       -----       2.807       0.712       0.616
RESID 755 (F):       2.890      -0.289       -----       3.029       1.378       0.956
RESID 756 (N):      -0.612       0.358       -----       2.715      -0.721       0.900
RESID 757 (H):      -2.172      -0.187       -----      -0.008       0.020       0.616
RESID 758 (F):      -3.330      -0.292       -----       2.494      -1.935       0.133
RESID 759 (D):      -0.642       0.074       -----      -2.745      -2.584      -0.390
RESID 760 (R):      -1.495      -0.274       -----      -0.368      -0.382      -0.506
RESID 761 (D):       1.187      -0.231       -----      -1.498      -1.251      -0.225
RESID 762 (H):      -1.755      -0.040       -----      -0.279      -2.526      -0.260
RESID 763 (S):       1.346      -0.009       -----       0.211       1.154       0.482
RESID 764 (G):       6.680       -----       -----      -0.073       -----       2.347
RESID 765 (T):      -3.441      -0.514       -----      -2.188       1.385      -0.478
RESID 766 (L):       0.233       0.029       -----      -1.268      -1.092       0.413
RESID 767 (G):       0.040       -----       -----       0.252       -----      -0.232
RESID 768 (P):       -----      -0.252       -----       1.019      -0.123       -----
RESID 769 (E):      -2.589      -0.205       -----       0.699      -0.560      -0.397
RESID 770 (E):       2.752      -0.024       -----       0.114       1.382      -0.552
RESID 771 (F):      -4.907       0.016       -----      -2.054      -0.458       0.131
RESID 772 (K):       1.062      -0.485       -----       2.295       0.946       0.476
RESID 773 (A):      -2.346      -0.138       -----       1.232      -1.224      -0.262
RESID 774 (C):       1.496      -0.534       -----      -0.639      -1.058      -0.200
RESID 775 (L):       0.599       0.213       -----       1.557      -0.149       0.764
RESID 776 (I):       2.540       1.546       -----       1.115       0.742       1.655
RESID 777 (S):       4.328       0.109       -----       1.440      -0.203       0.416
RESID 778 (L):       1.970       0.050       -----       0.788       0.051       0.536
RESID 779 (G):       0.109       -----       -----       0.317       -----       0.501
RESID 780 (Y):       1.229      -0.381       -----       3.964      -0.110       0.611
RESID 781 (D):       6.643      -0.057       -----      -0.469      -0.472      -0.278
RESID 782 (I):       9.774      -0.107       -----      -0.088      -2.692       0.387
RESID 783 (G):       7.056       -----       -----      -0.150       -----      -0.023
RESID 784 (N):       1.210       0.205       -----      -0.758      -1.136      -0.074
RESID 785 (D):      -2.429       0.030       -----      -0.448      -1.260       0.374
RESID 786 (P):       -----       0.045       -----       0.836      -0.167       -----
RESID 787 (Q):       0.552      -0.074       -----       0.982      -0.610       0.033
RESID 788 (G):       4.479       -----       -----       0.607       -----       0.224
RESID 789 (E):      -0.739      -0.032       -----       0.355      -0.253       0.003
RESID 790 (A):       0.254       0.034       -----      -0.206      -0.563       0.438
RESID 791 (E):       3.471       0.588       -----      -0.479      -0.383       0.452
RESID 792 (F):      -1.437      -0.165       -----       0.449      -0.078      -0.081
RESID 793 (A):      -1.906       0.405       -----       0.255      -0.320       0.241
RESID 794 (R):       1.906      -0.091       -----       0.392      -0.118       0.388
RESID 795 (I):       1.143      -0.352       -----       0.885      -0.098       0.216
RESID 796 (M):       0.809       0.263       -----      -1.582      -1.675       0.467
RESID 797 (S):       1.565      -0.222       -----       1.428      -0.516       0.187
RESID 798 (I):       4.870      -0.431       -----       1.131      -0.130      -0.456
RESID 799 (V):      -3.527       0.191       -----       0.971       1.406      -0.041
RESID 800 (D):       0.777       0.144       -----       1.538       0.182       0.001
RESID 801 (P):       -----       0.012       -----       0.622       0.055       -----
RESID 802 (N):      -0.655       0.047       -----       0.190      -1.376       0.846
RESID 803 (R):       1.120      -0.443       -----       0.038      -0.935      -0.361
RESID 804 (L):       6.569      -0.521       -----       2.134       1.477       2.882
RESID 805 (G):       3.662       -----       -----      -0.858       -----       2.945
RESID 806 (V):      -4.770       0.284       -----      -1.313       1.863      -0.373
RESID 807 (V):      -0.029      -0.250       -----       0.896       1.684       0.159
RESID 808 (T):       0.789      -0.355       -----       1.570      -0.828       0.542
RESID 809 (F):       3.170      -0.807       -----       0.396       0.831       0.151
RESID 810 (Q):      -0.184      -0.461       -----       0.871       0.154       1.365
RESID 811 (A):      -0.552      -0.021       -----       1.229       0.432       0.201
RESID 812 (F):       0.892      -0.388       -----      -0.312       0.989       0.020
RESID 813 (I):      -0.529      -0.822       -----       0.709      -0.117       0.578
RESID 814 (D):       2.984      -0.142       -----       0.186      -0.434       0.374
RESID 815 (F):       0.433      -0.293       -----       0.584       0.089       0.092
RESID 816 (M):      -1.249      -0.315       -----      -1.426      -1.612       0.373
RESID 817 (S):       1.974      -0.191       -----       0.620      -0.303      -0.175
RESID 818 (R):      -0.161       0.072       -----      -0.297       0.882      -0.537
RESID 819 (E):       1.821      -0.023       -----      -1.256       1.479       0.485
RESID 820 (T):       2.137       0.479       -----      -0.391       1.223       0.364
RESID 821 (A):       3.667       0.038       -----       2.523      -1.862       0.828
RESID 822 (D):       0.370      -0.130       -----       0.476      -0.975       0.015
RESID 823 (T):       1.543      -0.343       -----       0.950      -2.617      -0.212
RESID 824 (D):       0.435       0.201       -----      -2.454       0.337      -0.517
RESID 825 (T):       2.915      -0.076       -----      -1.209       1.074      -0.279
RESID 826 (A):      -0.051       0.200       -----      -0.608       0.226       0.865
RESID 827 (D):       0.490       0.010       -----      -0.605      -0.444       0.378
RESID 828 (Q):       3.203      -0.124       -----      -0.061      -0.817       0.223
RESID 829 (V):      -0.543      -0.185       -----       0.260      -0.444       0.658
RESID 830 (M):       2.214       0.638       -----       1.155       1.084      -0.170
RESID 831 (A):      -1.837       0.014       -----      -0.268       0.299       0.300
RESID 832 (S):      -1.048       0.038       -----      -0.392      -0.153      -0.116
RESID 833 (F):       0.420      -0.398       -----      -0.358       0.707       0.124
RESID 834 (K):      -1.267       0.061       -----       1.303       0.428       0.254
RESID 835 (I):      -1.563       0.014       -----      -0.904      -0.166       0.084
RESID 836 (L):       1.464       0.075       -----       0.030       0.361      -0.435
RESID 837 (A):       0.520      -0.111       -----      -0.253       0.210       0.403
RESID 838 (G):      -0.161       -----       -----       0.188       -----      -0.299
RESID 839 (D):      -1.873      -0.370       -----       0.546      -2.405       0.601
RESID 840 (K):      -3.512      -0.199       -----      -0.252       0.798       0.214
RESID 841 (N):      -0.082      -0.149       -----       0.248       0.337      -0.182
RESID 842 (Y):      -1.647       0.111       -----      -1.307      -0.622      -0.557
RESID 843 (I):      -5.306       0.109       -----       0.636      -0.136      -0.597
RESID 844 (T):      -0.956       0.091       -----       0.100       0.377      -0.104
RESID 845 (M):      -0.646      -0.163       -----      -0.193       0.967      -0.141
RESID 846 (D):      -2.280      -0.093       -----       0.152      -0.175      -0.277
RESID 847 (E):       1.160      -0.220       -----       0.501      -0.058       0.289
RESID 848 (L):      -0.522      -0.256       -----       1.292       0.407       0.404
RESID 849 (R):      -1.431      -0.463       -----       1.353       0.667       0.414
RESID 850 (R):       0.144      -0.213       -----       1.174      -0.415       0.333
RESID 851 (E):      -3.744       0.023       -----      -1.037       0.451      -0.202
RESID 852 (L):      -2.292      -0.373       -----       0.774       0.301       0.139
RESID 853 (P):       -----      -0.112       -----       1.166       1.316       -----
RESID 854 (P):       -----      -0.200       -----       4.429      -0.849       -----
RESID 855 (D):      -4.367       0.030       -----       0.075      -1.430       0.560
RESID 856 (Q):       2.308      -0.060       -----      -0.936       0.774      -1.110
RESID 857 (A):       0.538      -0.125       -----       0.253      -0.310       0.761
RESID 858 (E):      -4.388      -0.023       -----       0.068      -0.462       0.178
RESID 859 (Y):      -1.855      -0.083       -----       0.152       0.586      -0.711
RESID 860 (C):      -2.138       0.815       -----       0.048       0.248       0.178
RESID 861 (I):       0.029      -0.294       -----       0.414       0.976       0.673
RESID 862 (A):      -5.587       0.167       -----      -1.813       0.124      -0.945
RESID 863 (R):       1.324      -0.163       -----      -0.587       0.704      -0.191
RESID 864 (M):      -1.160       0.171       -----      -1.187       3.220      -0.290
RESID 865 (A):      -1.367      -0.730       -----      -0.801       0.347       0.386
RESID 866 (P):       -----      -0.029       -----      -0.108       1.525       -----
RESID 867 (Y):      -3.463       0.123       -----       0.606       1.612      -0.007
RESID 868 (T):       -----      -0.420       -----       0.379      -2.931       -----
RESID 869 (G):       -----       -----       -----       0.199       -----       -----
RESID 870 (P):       -----      -0.124       -----       0.783      -0.663       -----
RESID 871 (D):      -1.799      -0.134       -----      -0.791      -2.217       0.783
RESID 872 (S):      -1.770      -1.182       -----       2.292      -1.480       0.164
RESID 873 (V):      -0.196       0.083       -----       0.156      -0.034      -1.887
RESID 874 (P):       -----      -0.172       -----       1.329       0.607       -----
RESID 875 (G):       5.875       -----       -----      -0.035       -----       1.385
RESID 876 (A):      -3.640      -1.541       -----       2.834      -1.287       0.130
RESID 877 (L):       4.690      -0.424       -----       0.542      -2.275       0.210
RESID 878 (D):      -1.735       0.359       -----      -0.261      -0.636       1.012
RESID 879 (Y):       2.919       0.336       -----      -0.791      -0.308      -0.440
RESID 880 (M):       6.551      -0.303       -----      -1.081      -3.418       0.212
RESID 881 (S):      -1.735      -0.129       -----       1.497       0.928      -0.511
RESID 882 (F):       2.816       0.369       -----       1.617       1.150      -0.022
RESID 883 (S):       3.580      -0.126       -----      -0.233       1.152      -1.008
RESID 884 (T):      -8.628      -0.338       -----      -0.165       0.114      -0.411
RESID 885 (A):       2.556      -0.164       -----       0.379       0.172       0.462
RESID 886 (L):       4.127       0.246       -----      -0.432       1.601       0.820
RESID 887 (Y):       4.085      -0.094       -----      -0.344       0.234       0.486
RESID 888 (G):       5.123       -----       -----      -0.028       -----      -0.113
RESID 889 (E):      -1.097      -0.379       -----       1.177      -1.796      -0.601
RESID 890 (S):      -1.197      -0.061       -----       0.229       0.042      -0.107
RESID 891 (D):      -0.375      -0.189       -----       0.459       0.098      -0.048

DATA CS_STAT_INFO  N  RMS:   2.858 ppm Count: 139 Average Difference: -0.348 +/- 2.847 ppm
DATA CS_STAT_INFO  HA RMS:   0.356 ppm Count: 160 Average Difference:  0.052 +/- 0.353 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   1.184 ppm Count: 150 Average Difference: -0.257 +/- 1.160 ppm
DATA CS_STAT_INFO  CB RMS:   1.111 ppm Count: 140 Average Difference:  0.118 +/- 1.108 ppm
DATA CS_STAT_INFO  HN RMS:   0.662 ppm Count: 139 Average Difference: -0.186 +/- 0.638 ppm


############################################################################
For conformer 17:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 742 (S):       HA         4.525         4.525         4.092         0.433
RESID 742 (S):       CA        58.148        58.148        59.628        -1.480
RESID 742 (S):       CB        63.791        63.791        62.797         0.994
RESID 743 (I):        N       122.172       122.172       122.721        -0.549
RESID 743 (I):       HA         4.362         4.362         4.077         0.285
RESID 743 (I):       CA        60.421        60.421        62.103        -1.682
RESID 743 (I):       CB        39.166        39.166        38.290         0.876
RESID 743 (I):        H         8.132         8.132         8.083         0.049
RESID 744 (S):        N       123.144       123.144       120.186         2.958
RESID 744 (S):       HA         4.449         4.449         4.558        -0.109
RESID 744 (S):       CA        57.463        57.463        56.899         0.564
RESID 744 (S):       CB        65.219        65.219        64.961         0.258
RESID 744 (S):        H         8.848         8.848         8.495         0.353
RESID 745 (Q):        N       121.619       121.619       123.996        -2.377
RESID 745 (Q):       HA         3.952         3.952         4.125        -0.173
RESID 745 (Q):       CA        58.768        58.768        59.061        -0.293
RESID 745 (Q):       CB        28.512        28.512        28.738        -0.226
RESID 745 (Q):        H         9.042         9.042         8.975         0.067
RESID 746 (E):        N       118.648       118.648       119.290        -0.642
RESID 746 (E):       HA         4.004         4.004         4.146        -0.142
RESID 746 (E):       CA        60.223        60.223        58.875         1.348
RESID 746 (E):       CB        28.854        28.854        29.598        -0.744
RESID 746 (E):        H         8.721         8.721         7.705         1.016
RESID 747 (Q):        N       120.463       120.463       120.171         0.292
RESID 747 (Q):       HA         3.766         3.766         4.395        -0.629
RESID 747 (Q):       CA        58.306        58.306        58.817        -0.511
RESID 747 (Q):       CB        28.948        28.948        28.192         0.756
RESID 747 (Q):        H         7.838         7.838         8.437        -0.599
RESID 748 (M):        N       119.252       119.252       115.466         3.786
RESID 748 (M):       HA         4.200         4.200         4.438        -0.238
RESID 748 (M):       CA        58.096        58.096        59.211        -1.115
RESID 748 (M):       CB        30.900        30.900        32.309        -1.409
RESID 748 (M):        H         8.473         8.473         8.240         0.233
RESID 749 (N):        N       117.740       117.740       118.671        -0.931
RESID 749 (N):       HA         4.474         4.474         4.502        -0.028
RESID 749 (N):       CA        55.795        55.795        55.821        -0.026
RESID 749 (N):       CB        37.413        37.413        38.708        -1.295
RESID 749 (N):        H         8.334         8.334         7.675         0.659
RESID 750 (E):        N       122.848       122.848       119.374         3.474
RESID 750 (E):       HA         4.204         4.204         4.107         0.097
RESID 750 (E):       CA        59.341        59.341        58.478         0.863
RESID 750 (E):       CB        29.184        29.184        29.586        -0.402
RESID 750 (E):        H         7.838         7.838         8.374        -0.536
RESID 751 (F):        N       120.177       120.177       122.980        -2.803
RESID 751 (F):       HA         5.021         5.021         4.332         0.689
RESID 751 (F):       CA        58.353        58.353        59.557        -1.204
RESID 751 (F):       CB        37.797        37.797        39.354        -1.557
RESID 751 (F):        H         8.785         8.785         8.582         0.203
RESID 752 (R):        N       120.528       120.528       119.874         0.654
RESID 752 (R):       HA         4.160         4.160         3.822         0.338
RESID 752 (R):       CA        59.704        59.704        58.369         1.335
RESID 752 (R):       CB        29.968        29.968        28.622         1.346
RESID 752 (R):        H         9.016         9.016         8.082         0.934
RESID 753 (A):        N       121.112       121.112       122.559        -1.447
RESID 753 (A):       HA         4.245         4.245         4.406        -0.161
RESID 753 (A):       CA        55.331        55.331        54.517         0.814
RESID 753 (A):       CB        17.823        17.823        17.776         0.047
RESID 753 (A):        H         8.100         8.100         7.725         0.375
RESID 754 (S):        N       115.589       115.589       115.151         0.438
RESID 754 (S):       HA         4.452         4.452         4.293         0.159
RESID 754 (S):       CA        62.675        62.675        59.888         2.787
RESID 754 (S):       CB        63.359        63.359        62.808         0.551
RESID 754 (S):        H         8.391         8.391         7.972         0.419
RESID 755 (F):        N       121.886       121.886       119.064         2.822
RESID 755 (F):       HA         3.642         3.642         3.993        -0.351
RESID 755 (F):       CA        61.964        61.964        58.961         3.003
RESID 755 (F):       CB        39.822        39.822        38.441         1.381
RESID 755 (F):        H         8.675         8.675         7.801         0.874
RESID 756 (N):        N       113.618       113.618       113.880        -0.262
RESID 756 (N):       HA         4.427         4.427         4.091         0.336
RESID 756 (N):       CA        55.611        55.611        52.939         2.672
RESID 756 (N):       CB        37.838        37.838        38.740        -0.902
RESID 756 (N):        H         8.593         8.593         7.637         0.956
RESID 757 (H):        N       119.679       119.679       120.104        -0.425
RESID 757 (H):       HA         4.079         4.079         4.271        -0.192
RESID 757 (H):       CA        59.344        59.344        58.615         0.729
RESID 757 (H):       CB        29.889        29.889        30.211        -0.322
RESID 757 (H):        H         8.139         8.139         7.310         0.829
RESID 758 (F):        N       113.051       113.051       115.946        -2.895
RESID 758 (F):       HA         4.061         4.061         4.386        -0.325
RESID 758 (F):       CA        60.697        60.697        58.312         2.385
RESID 758 (F):       CB        38.735        38.735        40.393        -1.658
RESID 758 (F):        H         7.585         7.585         7.496         0.089
RESID 759 (D):        N       120.916       120.916       121.083        -0.167
RESID 759 (D):       HA         4.509         4.509         4.451         0.058
RESID 759 (D):       CA        52.171        52.171        54.952        -2.780
RESID 759 (D):       CB        38.009        38.009        40.461        -2.452
RESID 759 (D):        H         7.423         7.423         7.776        -0.353
RESID 760 (R):        N       124.819       124.819       127.256        -2.437
RESID 760 (R):       HA         3.768         3.768         4.078        -0.310
RESID 760 (R):       CA        58.275        58.275        58.567        -0.292
RESID 760 (R):       CB        30.249        30.249        30.732        -0.483
RESID 760 (R):        H         7.781         7.781         8.337        -0.556
RESID 761 (D):        N       113.673       113.673       112.778         0.895
RESID 761 (D):       HA         4.483         4.483         4.736        -0.253
RESID 761 (D):       CA        51.977        51.977        53.392        -1.415
RESID 761 (D):       CB        39.522        39.522        41.199        -1.677
RESID 761 (D):        H         7.821         7.821         8.183        -0.362
RESID 762 (H):        N       114.966       114.966       117.664        -2.698
RESID 762 (H):       HA         4.161         4.161         4.268        -0.107
RESID 762 (H):       CA        56.618        56.618        56.924        -0.306
RESID 762 (H):       CB        26.380        26.380        28.739        -2.359
RESID 762 (H):        H         7.744         7.744         8.110        -0.366
RESID 763 (S):        N       115.077       115.077       113.725         1.352
RESID 763 (S):       HA         4.336         4.336         4.435        -0.099
RESID 763 (S):       CA        59.860        59.860        59.253         0.607
RESID 763 (S):       CB        65.192        65.192        64.452         0.740
RESID 763 (S):        H         8.726         8.726         8.084         0.642
RESID 764 (G):        N       116.915       116.915       110.423         6.492
RESID 764 (G):       CA        45.449        45.449        45.648        -0.198
RESID 764 (G):        H        11.017        11.017         8.714         2.303
RESID 765 (T):        N       107.334       107.334       110.748        -3.414
RESID 765 (T):       HA         4.829         4.829         5.228        -0.399
RESID 765 (T):       CA        58.759        58.759        60.977        -2.218
RESID 765 (T):       CB        73.383        73.383        71.920         1.463
RESID 765 (T):        H         7.693         7.693         8.148        -0.455
RESID 766 (L):        N       124.664       124.664       124.651         0.013
RESID 766 (L):       HA         4.900         4.900         4.840         0.060
RESID 766 (L):       CA        52.339        52.339        53.626        -1.287
RESID 766 (L):       CB        42.339        42.339        43.179        -0.840
RESID 766 (L):        H         9.209         9.209         8.825         0.384
RESID 767 (G):        N       112.024       112.024       112.147        -0.123
RESID 767 (G):       CA        44.123        44.123        43.792         0.331
RESID 767 (G):        H         8.910         8.910         9.142        -0.232
RESID 768 (P):       HA         4.318         4.318         4.544        -0.226
RESID 768 (P):       CA        67.127        67.127        66.227         0.900
RESID 768 (P):       CB        32.029        32.029        32.063        -0.034
RESID 769 (E):        N       115.246       115.246       118.979        -3.733
RESID 769 (E):       HA         3.971         3.971         4.163        -0.192
RESID 769 (E):       CA        59.621        59.621        59.078         0.543
RESID 769 (E):       CB        28.628        28.628        28.379         0.249
RESID 769 (E):        H         8.622         8.622         8.985        -0.363
RESID 770 (E):        N       121.127       121.127       119.138         1.989
RESID 770 (E):       HA         4.272         4.272         4.243         0.029
RESID 770 (E):       CA        58.497        58.497        58.812        -0.315
RESID 770 (E):       CB        31.372        31.372        29.999         1.373
RESID 770 (E):        H         7.493         7.493         7.775        -0.282
RESID 771 (F):        N       117.688       117.688       122.228        -4.540
RESID 771 (F):       HA         4.355         4.355         4.280         0.075
RESID 771 (F):       CA        58.625        58.625        60.545        -1.920
RESID 771 (F):       CB        38.810        38.810        39.472        -0.662
RESID 771 (F):        H         9.110         9.110         8.988         0.122
RESID 772 (K):        N       119.789       119.789       118.556         1.233
RESID 772 (K):       HA         3.313         3.313         3.651        -0.338
RESID 772 (K):       CA        60.672        60.672        58.258         2.414
RESID 772 (K):       CB        31.979        31.979        30.838         1.141
RESID 772 (K):        H         8.594         8.594         8.112         0.482
RESID 773 (A):        N       118.461       118.461       120.774        -2.313
RESID 773 (A):       HA         3.881         3.881         4.035        -0.154
RESID 773 (A):       CA        55.013        55.013        53.757         1.256
RESID 773 (A):       CB        17.629        17.629        18.867        -1.238
RESID 773 (A):        H         7.231         7.231         7.452        -0.221
RESID 774 (C):        N       120.913       120.913       119.225         1.688
RESID 774 (C):       HA         2.435         2.435         3.005        -0.570
RESID 774 (C):       CA        61.174        61.174        62.081        -0.907
RESID 774 (C):       CB        26.215        26.215        27.221        -1.006
RESID 774 (C):        H         7.498         7.498         7.668        -0.170
RESID 775 (L):        N       119.201       119.201       118.583         0.618
RESID 775 (L):       HA         3.766         3.766         3.555         0.211
RESID 775 (L):       CA        57.932        57.932        56.398         1.534
RESID 775 (L):       CB        40.950        40.950        41.078        -0.128
RESID 775 (L):        H         8.372         8.372         7.541         0.831
RESID 776 (I):        N       121.051       121.051       117.873         3.178
RESID 776 (I):       HA         4.090         4.090         2.485         1.605
RESID 776 (I):       CA        65.244        65.244        64.318         0.926
RESID 776 (I):       CB        37.991        37.991        37.195         0.796
RESID 776 (I):        H         8.358         8.358         6.745         1.613
RESID 777 (S):        N       119.109       119.109       114.290         4.819
RESID 777 (S):       HA         4.291         4.291         4.202         0.089
RESID 777 (S):       CA        61.725        61.725        60.240         1.485
RESID 777 (S):       CB        62.995        62.995        62.634         0.361
RESID 777 (S):        H         7.822         7.822         7.282         0.540
RESID 778 (L):        N       121.208       121.208       117.710         3.498
RESID 778 (L):       HA         4.506         4.506         4.415         0.091
RESID 778 (L):       CA        54.999        54.999        53.423         1.575
RESID 778 (L):       CB        42.670        42.670        42.213         0.457
RESID 778 (L):        H         7.671         7.671         7.158         0.513
RESID 779 (G):        N       106.232       106.232       107.448        -1.216
RESID 779 (G):       CA        45.287        45.287        45.322        -0.035
RESID 779 (G):        H         7.897         7.897         7.271         0.626
RESID 780 (Y):        N       120.772       120.772       116.671         4.101
RESID 780 (Y):       HA         4.142         4.142         4.538        -0.396
RESID 780 (Y):       CA        59.231        59.231        54.912         4.319
RESID 780 (Y):       CB        38.341        38.341        38.509        -0.168
RESID 780 (Y):        H         8.072         8.072         7.304         0.768
RESID 781 (D):        N       124.304       124.304       119.634         4.670
RESID 781 (D):       HA         4.665         4.665         4.681        -0.016
RESID 781 (D):       CA        53.148        53.148        53.931        -0.783
RESID 781 (D):       CB        39.804        39.804        40.562        -0.757
RESID 781 (D):        H         8.862         8.862         9.220        -0.358
RESID 782 (I):        N       122.271       122.271       112.425         9.846
RESID 782 (I):       HA         4.341         4.341         4.419        -0.078
RESID 782 (I):       CA        58.992        58.992        58.675         0.317
RESID 782 (I):       CB        37.907        37.907        40.636        -2.729
RESID 782 (I):        H         7.344         7.344         7.064         0.280
RESID 783 (G):        N       112.322       112.322       106.815         5.507
RESID 783 (G):       CA        44.523        44.523        44.461         0.062
RESID 783 (G):        H         8.122         8.122         8.042         0.080
RESID 784 (N):        N       118.727       118.727       120.258        -1.531
RESID 784 (N):       HA         4.882         4.882         4.692         0.190
RESID 784 (N):       CA        52.098        52.098        52.526        -0.428
RESID 784 (N):       CB        37.424        37.424        38.211        -0.787
RESID 784 (N):        H         8.452         8.452         8.698        -0.246
RESID 785 (D):        N       119.826       119.826       120.372        -0.546
RESID 785 (D):       HA         4.778         4.778         5.032        -0.254
RESID 785 (D):       CA        52.164        52.164        51.719         0.445
RESID 785 (D):       CB        39.657        39.657        42.441        -2.784
RESID 785 (D):        H         8.145         8.145         7.930         0.215
RESID 786 (P):       HA         4.271         4.271         4.291        -0.020
RESID 786 (P):       CA        66.265        66.265        65.450         0.815
RESID 786 (P):       CB        32.011        32.011        31.915         0.096
RESID 787 (Q):        N       118.097       118.097       117.486         0.611
RESID 787 (Q):       HA         4.141         4.141         4.202        -0.061
RESID 787 (Q):       CA        59.115        59.115        58.120         0.995
RESID 787 (Q):       CB        27.732        27.732        27.716         0.016
RESID 787 (Q):        H         8.409         8.409         8.329         0.080
RESID 788 (G):        N       113.421       113.421       108.235         5.186
RESID 788 (G):       CA        47.317        47.317        46.409         0.908
RESID 788 (G):        H         8.644         8.644         8.394         0.250
RESID 789 (E):        N       121.223       121.223       121.352        -0.129
RESID 789 (E):       HA         4.148         4.148         4.220        -0.072
RESID 789 (E):       CA        59.344        59.344        59.546        -0.202
RESID 789 (E):       CB        29.435        29.435        29.446        -0.011
RESID 789 (E):        H         8.514         8.514         8.527        -0.013
RESID 790 (A):        N       122.879       122.879       122.349         0.530
RESID 790 (A):       HA         4.247         4.247         4.205         0.042
RESID 790 (A):       CA        54.907        54.907        55.104        -0.197
RESID 790 (A):       CB        17.780        17.780        18.422        -0.642
RESID 790 (A):        H         8.024         8.024         7.510         0.514
RESID 791 (E):        N       122.622       122.622       119.215         3.407
RESID 791 (E):       HA         4.687         4.687         4.106         0.581
RESID 791 (E):       CA        58.134        58.134        58.569        -0.435
RESID 791 (E):       CB        29.061        29.061        29.432        -0.371
RESID 791 (E):        H         8.280         8.280         7.718         0.562
RESID 792 (F):        N       119.949       119.949       121.159        -1.210
RESID 792 (F):       HA         4.038         4.038         4.198        -0.160
RESID 792 (F):       CA        61.812        61.812        61.347         0.465
RESID 792 (F):       CB        38.598        38.598        38.511         0.087
RESID 792 (F):        H         8.722         8.722         8.757        -0.035
RESID 793 (A):        N       119.652       119.652       121.107        -1.455
RESID 793 (A):       HA         3.854         3.854         3.257         0.597
RESID 793 (A):       CA        54.902        54.902        54.409         0.493
RESID 793 (A):       CB        17.628        17.628        17.867        -0.239
RESID 793 (A):        H         8.163         8.163         7.695         0.468
RESID 794 (R):        N       121.092       121.092       119.414         1.678
RESID 794 (R):       HA         3.910         3.910         3.994        -0.084
RESID 794 (R):       CA        59.471        59.471        59.151         0.320
RESID 794 (R):       CB        30.092        30.092        30.235        -0.143
RESID 794 (R):        H         8.034         8.034         7.729         0.305
RESID 795 (I):        N       121.394       121.394       120.771         0.623
RESID 795 (I):       HA         3.388         3.388         3.746        -0.358
RESID 795 (I):       CA        65.848        65.848        65.131         0.717
RESID 795 (I):       CB        38.209        38.209        38.281        -0.072
RESID 795 (I):        H         8.049         8.049         8.228        -0.179
RESID 796 (M):        N       119.012       119.012       118.367         0.645
RESID 796 (M):       HA         4.155         4.155         3.919         0.236
RESID 796 (M):       CA        56.470        56.470        58.250        -1.780
RESID 796 (M):       CB        29.892        29.892        31.660        -1.768
RESID 796 (M):        H         8.589         8.589         8.142         0.447
RESID 797 (S):        N       114.132       114.132       112.879         1.253
RESID 797 (S):       HA         4.097         4.097         4.262        -0.165
RESID 797 (S):       CA        61.231        61.231        60.013         1.218
RESID 797 (S):       CB        62.895        62.895        63.427        -0.532
RESID 797 (S):        H         7.732         7.732         7.521         0.211
RESID 798 (I):        N       120.873       120.873       116.966         3.907
RESID 798 (I):       HA         3.818         3.818         4.097        -0.279
RESID 798 (I):       CA        63.875        63.875        63.152         0.723
RESID 798 (I):       CB        38.863        38.863        38.689         0.174
RESID 798 (I):        H         7.352         7.352         7.652        -0.300
RESID 799 (V):        N       110.552       110.552       112.651        -2.099
RESID 799 (V):       HA         4.243         4.243         4.084         0.159
RESID 799 (V):       CA        62.616        62.616        61.034         1.582
RESID 799 (V):       CB        32.416        32.416        31.319         1.097
RESID 799 (V):        H         7.648         7.648         7.687        -0.039
RESID 800 (D):        N       119.435       119.435       120.628        -1.193
RESID 800 (D):       HA         5.225         5.225         5.085         0.140
RESID 800 (D):       CA        51.715        51.715        50.092         1.623
RESID 800 (D):       CB        41.086        41.086        41.752        -0.666
RESID 800 (D):        H         8.074         8.074         7.488         0.586
RESID 801 (P):       HA         4.331         4.331         4.394        -0.063
RESID 801 (P):       CA        64.819        64.819        63.822         0.997
RESID 801 (P):       CB        31.689        31.689        31.992        -0.303
RESID 802 (N):        N       115.164       115.164       116.614        -1.450
RESID 802 (N):       HA         4.760         4.760         4.739         0.021
RESID 802 (N):       CA        52.998        52.998        52.904         0.095
RESID 802 (N):       CB        37.952        37.952        39.698        -1.746
RESID 802 (N):        H         8.949         8.949         7.680         1.269
RESID 803 (R):        N       117.446       117.446       115.773         1.673
RESID 803 (R):       HA         3.830         3.830         4.109        -0.279
RESID 803 (R):       CA        56.888        56.888        56.945        -0.057
RESID 803 (R):       CB        26.354        26.354        27.188        -0.834
RESID 803 (R):        H         7.958         7.958         7.906         0.052
RESID 804 (L):        N       123.307       123.307       116.686         6.621
RESID 804 (L):       HA         4.156         4.156         4.704        -0.548
RESID 804 (L):       CA        56.373        56.373        54.488         1.885
RESID 804 (L):       CB        42.930        42.930        42.099         0.831
RESID 804 (L):        H        10.591        10.591         8.088         2.503
RESID 805 (G):        N       110.516       110.516       107.865         2.651
RESID 805 (G):       CA        44.944        44.944        45.620        -0.676
RESID 805 (G):        H        11.001        11.001         8.940         2.061
RESID 806 (V):        N       109.840       109.840       114.811        -4.971
RESID 806 (V):       HA         4.571         4.571         4.336         0.235
RESID 806 (V):       CA        58.566        58.566        59.356        -0.790
RESID 806 (V):       CB        36.853        36.853        35.108         1.745
RESID 806 (V):        H         6.831         6.831         7.044        -0.213
RESID 807 (V):        N       122.184       122.184       122.451        -0.267
RESID 807 (V):       HA         4.167         4.167         4.328        -0.161
RESID 807 (V):       CA        61.644        61.644        60.773         0.871
RESID 807 (V):       CB        32.383        32.383        32.219         0.164
RESID 807 (V):        H         9.007         9.007         8.742         0.265
RESID 808 (T):        N       117.391       117.391       118.371        -0.980
RESID 808 (T):       HA         4.593         4.593         4.666        -0.073
RESID 808 (T):       CA        60.615        60.615        58.938         1.677
RESID 808 (T):       CB        70.695        70.695        71.530        -0.835
RESID 808 (T):        H         7.925         7.925         7.625         0.300
RESID 809 (F):        N       122.236       122.236       119.481         2.755
RESID 809 (F):       HA         3.640         3.640         4.429        -0.789
RESID 809 (F):       CA        61.749        61.749        61.252         0.497
RESID 809 (F):       CB        38.177        38.177        37.504         0.673
RESID 809 (F):        H         9.349         9.349         8.316         1.033
RESID 810 (Q):        N       116.788       116.788       116.453         0.335
RESID 810 (Q):       HA         3.598         3.598         4.210        -0.612
RESID 810 (Q):       CA        58.582        58.582        57.705         0.877
RESID 810 (Q):       CB        28.199        28.199        28.579        -0.380
RESID 810 (Q):        H         8.572         8.572         7.739         0.833
RESID 811 (A):        N       121.208       121.208       121.761        -0.553
RESID 811 (A):       HA         4.119         4.119         4.224        -0.105
RESID 811 (A):       CA        54.911        54.911        53.658         1.253
RESID 811 (A):       CB        19.265        19.265        19.082         0.182
RESID 811 (A):        H         7.667         7.667         7.677        -0.010
RESID 812 (F):        N       119.805       119.805       118.861         0.944
RESID 812 (F):       HA         3.980         3.980         4.365        -0.385
RESID 812 (F):       CA        61.740        61.740        62.061        -0.321
RESID 812 (F):       CB        39.670        39.670        38.650         1.020
RESID 812 (F):        H         8.400         8.400         8.315         0.085
RESID 813 (I):        N       118.098       118.098       118.795        -0.697
RESID 813 (I):       HA         3.146         3.146         4.018        -0.872
RESID 813 (I):       CA        63.299        63.299        62.530         0.769
RESID 813 (I):       CB        36.202        36.202        36.381        -0.179
RESID 813 (I):        H         8.364         8.364         7.863         0.501
RESID 814 (D):        N       123.528       123.528       120.520         3.008
RESID 814 (D):       HA         4.196         4.196         4.376        -0.180
RESID 814 (D):       CA        57.680        57.680        57.404         0.276
RESID 814 (D):       CB        40.236        40.236        40.703        -0.467
RESID 814 (D):        H         8.221         8.221         7.873         0.348
RESID 815 (F):        N       120.584       120.584       120.256         0.328
RESID 815 (F):       HA         4.129         4.129         4.431        -0.302
RESID 815 (F):       CA        61.084        61.084        60.663         0.421
RESID 815 (F):       CB        39.698        39.698        39.657         0.041
RESID 815 (F):        H         7.887         7.887         7.780         0.107
RESID 816 (M):        N       116.960       116.960       118.530        -1.570
RESID 816 (M):       HA         3.782         3.782         4.130        -0.348
RESID 816 (M):       CA        55.662        55.662        57.047        -1.385
RESID 816 (M):       CB        30.033        30.033        31.710        -1.677
RESID 816 (M):        H         8.372         8.372         8.106         0.266
RESID 817 (S):        N       114.277       114.277       112.104         2.173
RESID 817 (S):       HA         4.194         4.194         4.396        -0.202
RESID 817 (S):       CA        60.521        60.521        60.010         0.511
RESID 817 (S):       CB        63.185        63.185        63.529        -0.344
RESID 817 (S):        H         8.074         8.074         8.292        -0.218
RESID 818 (R):        N       121.493       121.493       121.844        -0.351
RESID 818 (R):       HA         4.124         4.124         4.101         0.023
RESID 818 (R):       CA        57.684        57.684        57.820        -0.136
RESID 818 (R):       CB        30.315        30.315        29.593         0.722
RESID 818 (R):        H         7.288         7.288         7.814        -0.526
RESID 819 (E):        N       119.737       119.737       117.829         1.908
RESID 819 (E):       HA         4.101         4.101         4.093         0.008
RESID 819 (E):       CA        57.066        57.066        58.732        -1.666
RESID 819 (E):       CB        30.491        30.491        29.326         1.165
RESID 819 (E):        H         8.045         8.045         7.791         0.254
RESID 820 (T):        N       112.128       112.128       110.236         1.892
RESID 820 (T):       HA         4.280         4.280         4.112         0.168
RESID 820 (T):       CA        62.055        62.055        63.083        -1.028
RESID 820 (T):       CB        69.828        69.828        68.698         1.131
RESID 820 (T):        H         7.760         7.760         7.413         0.347
RESID 821 (A):        N       126.098       126.098       125.048         1.050
RESID 821 (A):       HA         4.284         4.284         4.303        -0.019
RESID 821 (A):       CA        52.726        52.726        51.258         1.468
RESID 821 (A):       CB        19.304        19.304        20.296        -0.992
RESID 821 (A):        H         7.957         7.957         7.415         0.542
RESID 822 (D):        N       119.904       119.904       121.383        -1.479
RESID 822 (D):       HA         4.613         4.613         4.517         0.096
RESID 822 (D):       CA        54.335        54.335        54.638        -0.303
RESID 822 (D):       CB        41.032        41.032        41.460        -0.428
RESID 822 (D):        H         8.352         8.352         8.379        -0.027
RESID 823 (T):        N       114.142       114.142       117.552        -3.410
RESID 823 (T):       HA         4.278         4.278         4.622        -0.344
RESID 823 (T):       CA        62.117        62.117        60.842         1.275
RESID 823 (T):       CB        69.584        69.584        71.672        -2.088
RESID 823 (T):        H         8.079         8.079         8.427        -0.348
RESID 824 (D):        N       123.261       123.261       123.565        -0.304
RESID 824 (D):       HA         4.657         4.657         4.470         0.187
RESID 824 (D):       CA        54.786        54.786        57.217        -2.431
RESID 824 (D):       CB        41.085        41.085        41.054         0.031
RESID 824 (D):        H         8.431         8.431         8.957        -0.526
RESID 825 (T):        N       114.932       114.932       113.735         1.197
RESID 825 (T):       HA         4.161         4.161         4.237        -0.076
RESID 825 (T):       CA        63.109        63.109        64.314        -1.205
RESID 825 (T):       CB        69.455        69.455        68.740         0.715
RESID 825 (T):        H         8.155         8.155         8.574        -0.419
RESID 826 (A):        N       124.961       124.961       124.498         0.463
RESID 826 (A):       HA         4.160         4.160         4.170        -0.010
RESID 826 (A):       CA        54.392        54.392        54.239         0.153
RESID 826 (A):       CB        18.610        18.610        18.463         0.147
RESID 826 (A):        H         8.379         8.379         7.462         0.917
RESID 827 (D):        N       117.765       117.765       118.341        -0.576
RESID 827 (D):       HA         4.425         4.425         4.355         0.070
RESID 827 (D):       CA        56.051        56.051        57.343        -1.292
RESID 827 (D):       CB        40.559        40.559        41.095        -0.536
RESID 827 (D):        H         8.250         8.250         7.908         0.342
RESID 828 (Q):        N       120.523       120.523       117.938         2.585
RESID 828 (Q):       HA         4.091         4.091         4.062         0.029
RESID 828 (Q):       CA        57.814        57.814        58.178        -0.364
RESID 828 (Q):       CB        28.549        28.549        28.706        -0.157
RESID 828 (Q):        H         8.076         8.076         7.673         0.403
RESID 829 (V):        N       120.970       120.970       119.425         1.545
RESID 829 (V):       HA         3.525         3.525         3.832        -0.307
RESID 829 (V):       CA        65.194        65.194        64.478         0.716
RESID 829 (V):       CB        31.541        31.541        32.072        -0.531
RESID 829 (V):        H         8.051         8.051         7.280         0.771
RESID 830 (M):        N       119.572       119.572       119.018         0.554
RESID 830 (M):       HA         4.006         4.006         4.054        -0.048
RESID 830 (M):       CA        57.977        57.977        57.910         0.067
RESID 830 (M):       CB        31.995        31.995        32.081        -0.086
RESID 830 (M):        H         8.110         8.110         8.444        -0.334
RESID 831 (A):        N       121.059       121.059       121.839        -0.780
RESID 831 (A):       HA         4.045         4.045         3.282         0.763
RESID 831 (A):       CA        54.501        54.501        54.022         0.479
RESID 831 (A):       CB        18.067        18.067        17.434         0.633
RESID 831 (A):        H         7.836         7.836         7.601         0.235
RESID 832 (S):        N       114.256       114.256       115.790        -1.534
RESID 832 (S):       HA         4.141         4.141         3.958         0.183
RESID 832 (S):       CA        60.845        60.845        61.198        -0.353
RESID 832 (S):       CB        62.613        62.613        62.852        -0.240
RESID 832 (S):        H         7.714         7.714         7.425         0.289
RESID 833 (F):        N       121.847       121.847       119.364         2.483
RESID 833 (F):       HA         3.823         3.823         4.211        -0.388
RESID 833 (F):       CA        58.627        58.627        57.736         0.891
RESID 833 (F):       CB        38.127        38.127        37.325         0.802
RESID 833 (F):        H         7.740         7.740         7.761        -0.021
RESID 834 (K):        N       118.759       118.759       120.380        -1.621
RESID 834 (K):       HA         3.589         3.589         3.730        -0.141
RESID 834 (K):       CA        59.384        59.384        58.123         1.261
RESID 834 (K):       CB        32.143        32.143        32.023         0.120
RESID 834 (K):        H         7.843         7.843         7.909        -0.066
RESID 835 (I):        N       118.537       118.537       119.643        -1.106
RESID 835 (I):       HA         3.736         3.736         3.732         0.004
RESID 835 (I):       CA        63.714        63.714        64.676        -0.962
RESID 835 (I):       CB        37.825        37.825        37.933        -0.108
RESID 835 (I):        H         7.315         7.315         7.131         0.184
RESID 836 (L):        N       121.201       121.201       119.132         2.069
RESID 836 (L):       HA         3.955         3.955         3.902         0.053
RESID 836 (L):       CA        57.074        57.074        57.301        -0.227
RESID 836 (L):       CB        42.415        42.415        41.976         0.439
RESID 836 (L):        H         7.625         7.625         8.029        -0.404
RESID 837 (A):        N       119.184       119.184       118.279         0.905
RESID 837 (A):       HA         3.895         3.895         3.898        -0.003
RESID 837 (A):       CA        53.301        53.301        53.760        -0.459
RESID 837 (A):       CB        19.338        19.338        19.076         0.262
RESID 837 (A):        H         8.099         8.099         7.496         0.603
RESID 838 (G):        N       107.030       107.030       106.742         0.288
RESID 838 (G):       CA        46.918        46.918        46.561         0.357
RESID 838 (G):        H         7.676         7.676         8.175        -0.499
RESID 839 (D):        N       122.291       122.291       124.366        -2.075
RESID 839 (D):       HA         4.477         4.477         4.898        -0.421
RESID 839 (D):       CA        54.511        54.511        53.392         1.119
RESID 839 (D):       CB        40.181        40.181        41.694        -1.513
RESID 839 (D):        H         8.704         8.704         8.048         0.656
RESID 840 (K):        N       117.582       117.582       120.392        -2.810
RESID 840 (K):       HA         4.301         4.301         4.572        -0.271
RESID 840 (K):       CA        55.780        55.780        55.801        -0.021
RESID 840 (K):       CB        33.710        33.710        33.484         0.226
RESID 840 (K):        H         7.583         7.583         7.518         0.065
RESID 841 (N):        N       116.678       116.678       116.517         0.161
RESID 841 (N):       HA         4.611         4.611         4.573         0.038
RESID 841 (N):       CA        53.466        53.466        54.035        -0.570
RESID 841 (N):       CB        39.155        39.155        39.059         0.096
RESID 841 (N):        H         8.693         8.693         9.007        -0.314
RESID 842 (Y):        N       112.236       112.236       114.130        -1.894
RESID 842 (Y):       HA         4.986         4.986         4.867         0.119
RESID 842 (Y):       CA        54.918        54.918        56.210        -1.292
RESID 842 (Y):       CB        40.595        40.595        40.269         0.326
RESID 842 (Y):        H         6.637         6.637         7.322        -0.685
RESID 843 (I):        N       115.475       115.475       120.588        -5.113
RESID 843 (I):       HA         4.792         4.792         4.699         0.093
RESID 843 (I):       CA        58.957        58.957        58.005         0.952
RESID 843 (I):       CB        43.009        43.009        42.992         0.016
RESID 843 (I):        H         8.630         8.630         9.138        -0.508
RESID 844 (T):        N       117.169       117.169       117.036         0.133
RESID 844 (T):       HA         5.370         5.370         5.315         0.055
RESID 844 (T):       CA        60.177        60.177        60.164         0.013
RESID 844 (T):       CB        71.088        71.088        71.051         0.037
RESID 844 (T):        H         9.330         9.330         9.124         0.206
RESID 845 (M):        N       119.860       119.860       120.769        -0.909
RESID 845 (M):       HA         3.824         3.824         4.063        -0.239
RESID 845 (M):       CA        60.321        60.321        60.424        -0.103
RESID 845 (M):       CB        33.030        33.030        32.407         0.623
RESID 845 (M):        H         8.556         8.556         8.837        -0.281
RESID 846 (D):        N       116.363       116.363       118.646        -2.283
RESID 846 (D):       HA         4.280         4.280         4.410        -0.130
RESID 846 (D):       CA        57.404        57.404        57.254         0.150
RESID 846 (D):       CB        40.584        40.584        40.317         0.267
RESID 846 (D):        H         8.377         8.377         8.669        -0.292
RESID 847 (E):        N       120.577       120.577       118.481         2.096
RESID 847 (E):       HA         3.854         3.854         4.120        -0.266
RESID 847 (E):       CA        59.657        59.657        58.843         0.814
RESID 847 (E):       CB        29.660        29.660        30.061        -0.402
RESID 847 (E):        H         7.855         7.855         7.665         0.190
RESID 848 (L):        N       118.714       118.714       119.570        -0.856
RESID 848 (L):       HA         3.822         3.822         4.071        -0.249
RESID 848 (L):       CA        58.725        58.725        57.730         0.995
RESID 848 (L):       CB        42.457        42.457        42.027         0.430
RESID 848 (L):        H         7.849         7.849         7.652         0.197
RESID 849 (R):        N       113.972       113.972       115.737        -1.765
RESID 849 (R):       HA         3.924         3.924         4.443        -0.519
RESID 849 (R):       CA        58.595        58.595        57.615         0.980
RESID 849 (R):       CB        30.100        30.100        29.630         0.470
RESID 849 (R):        H         8.053         8.053         8.015         0.038
RESID 850 (R):        N       118.178       118.178       119.067        -0.889
RESID 850 (R):       HA         4.193         4.193         4.337        -0.144
RESID 850 (R):       CA        58.245        58.245        57.975         0.270
RESID 850 (R):       CB        31.120        31.120        31.194        -0.074
RESID 850 (R):        H         7.743         7.743         7.686         0.057
RESID 851 (E):        N       115.518       115.518       118.232        -2.714
RESID 851 (E):       HA         4.350         4.350         4.258         0.092
RESID 851 (E):       CA        56.886        56.886        58.039        -1.153
RESID 851 (E):       CB        31.590        31.590        30.646         0.944
RESID 851 (E):        H         7.596         7.596         7.772        -0.176
RESID 852 (L):        N       119.148       119.148       121.914        -2.766
RESID 852 (L):       HA         4.894         4.894         5.123        -0.230
RESID 852 (L):       CA        52.174        52.174        50.800         1.373
RESID 852 (L):       CB        42.469        42.469        42.248         0.221
RESID 852 (L):        H         7.890         7.890         7.838         0.052
RESID 853 (P):       HA         4.347         4.347         4.572        -0.225
RESID 853 (P):       CA        65.119        65.119        63.663         1.456
RESID 853 (P):       CB        31.631        31.631        30.781         0.850
RESID 854 (P):       HA         4.270         4.270         4.495        -0.225
RESID 854 (P):       CA        66.336        66.336        61.849         4.487
RESID 854 (P):       CB        32.256        32.256        33.322        -1.066
RESID 855 (D):        N       114.865       114.865       119.339        -4.474
RESID 855 (D):       HA         4.349         4.349         4.465        -0.116
RESID 855 (D):       CA        56.913        56.913        57.126        -0.213
RESID 855 (D):       CB        39.244        39.244        40.614        -1.370
RESID 855 (D):        H         8.801         8.801         8.246         0.555
RESID 856 (Q):        N       121.465       121.465       118.166         3.299
RESID 856 (Q):       HA         4.199         4.199         4.226        -0.027
RESID 856 (Q):       CA        58.317        58.317        58.980        -0.663
RESID 856 (Q):       CB        29.247        29.247        28.187         1.060
RESID 856 (Q):        H         7.472         7.472         8.611        -1.139
RESID 857 (A):        N       122.805       122.805       122.338         0.467
RESID 857 (A):       HA         3.799         3.799         4.015        -0.216
RESID 857 (A):       CA        56.303        56.303        55.583         0.720
RESID 857 (A):       CB        17.944        17.944        18.467        -0.523
RESID 857 (A):        H         8.882         8.882         8.176         0.706
RESID 858 (E):        N       114.094       114.094       118.675        -4.581
RESID 858 (E):       HA         4.024         4.024         3.990         0.034
RESID 858 (E):       CA        58.682        58.682        58.621         0.061
RESID 858 (E):       CB        28.639        28.639        29.277        -0.638
RESID 858 (E):        H         8.155         8.155         8.115         0.040
RESID 859 (Y):        N       120.665       120.665       122.437        -1.772
RESID 859 (Y):       HA         4.084         4.084         4.178        -0.094
RESID 859 (Y):       CA        61.006        61.006        60.765         0.241
RESID 859 (Y):       CB        38.687        38.687        38.140         0.547
RESID 859 (Y):        H         7.708         7.708         8.480        -0.772
RESID 860 (C):        N       115.812       115.812       117.019        -1.207
RESID 860 (C):       HA         4.158         4.158         3.474         0.684
RESID 860 (C):       CA        64.254        64.254        63.775         0.479
RESID 860 (C):       CB        27.304        27.304        26.967         0.337
RESID 860 (C):        H         8.113         8.113         7.568         0.545
RESID 861 (I):        N       120.078       120.078       120.049         0.029
RESID 861 (I):       HA         3.339         3.339         3.673        -0.334
RESID 861 (I):       CA        65.643        65.643        65.382         0.261
RESID 861 (I):       CB        38.714        38.714        37.674         1.040
RESID 861 (I):        H         8.453         8.453         8.114         0.339
RESID 862 (A):        N       116.691       116.691       122.341        -5.650
RESID 862 (A):       HA         4.209         4.209         4.012         0.197
RESID 862 (A):       CA        53.222        53.222        54.755        -1.533
RESID 862 (A):       CB        19.002        19.002        18.697         0.305
RESID 862 (A):        H         7.307         7.307         8.210        -0.903
RESID 863 (R):        N       117.226       117.226       114.706         2.520
RESID 863 (R):       HA         4.274         4.274         4.552        -0.278
RESID 863 (R):       CA        56.051        56.051        55.967         0.084
RESID 863 (R):       CB        31.389        31.389        30.728         0.661
RESID 863 (R):        H         7.358         7.358         7.504        -0.146
RESID 864 (M):        N       117.583       117.583       118.468        -0.885
RESID 864 (M):       HA         4.561         4.561         4.392         0.169
RESID 864 (M):       CA        54.927        54.927        55.956        -1.029
RESID 864 (M):       CB        37.418        37.418        34.161         3.257
RESID 864 (M):        H         7.153         7.153         7.253        -0.100
RESID 865 (A):        N       124.643       124.643       126.279        -1.636
RESID 865 (A):       HA         3.866         3.866         4.651        -0.785
RESID 865 (A):       CA        49.194        49.194        49.963        -0.769
RESID 865 (A):       CB        18.647        18.647        18.513         0.134
RESID 865 (A):        H         8.557         8.557         8.218         0.339
RESID 866 (P):       HA         4.496         4.496         4.537        -0.041
RESID 866 (P):       CA        62.724        62.724        62.889        -0.165
RESID 866 (P):       CB        31.980        31.980        30.409         1.571
RESID 867 (Y):        N       122.461       122.461       126.971        -4.510
RESID 867 (Y):       HA         4.728         4.728         4.572         0.156
RESID 867 (Y):       CA        57.096        57.096        57.341        -0.245
RESID 867 (Y):       CB        39.175        39.175        38.733         0.442
RESID 867 (Y):        H         8.128         8.128         8.091         0.037
RESID 868 (T):       HA         4.351         4.351         4.640        -0.289
RESID 868 (T):       CA        60.271        60.271        60.147         0.124
RESID 868 (T):       CB        68.737        68.737        71.527        -2.790
RESID 869 (G):       CA        44.914        44.914        44.780         0.134
RESID 870 (P):       HA         4.329         4.329         4.440        -0.111
RESID 870 (P):       CA        64.697        64.697        63.920         0.777
RESID 870 (P):       CB        31.579        31.579        32.288        -0.709
RESID 871 (D):        N       116.207       116.207       118.360        -2.153
RESID 871 (D):       HA         4.604         4.604         4.809        -0.205
RESID 871 (D):       CA        52.749        52.749        53.432        -0.683
RESID 871 (D):       CB        38.929        38.929        41.240        -2.311
RESID 871 (D):        H         9.267         9.267         8.475         0.792
RESID 872 (S):        N       112.349       112.349       115.388        -3.039
RESID 872 (S):       HA         3.497         3.497         4.509        -1.012
RESID 872 (S):       CA        59.065        59.065        57.587         1.478
RESID 872 (S):       CB        63.125        63.125        65.410        -2.285
RESID 872 (S):        H         7.487         7.487         7.368         0.119
RESID 873 (V):        N       113.567       113.567       115.355        -1.788
RESID 873 (V):       HA         4.729         4.729         4.535         0.194
RESID 873 (V):       CA        58.044        58.044        58.448        -0.404
RESID 873 (V):       CB        32.911        32.911        31.918         0.993
RESID 873 (V):        H         6.411         6.411         7.998        -1.587
RESID 874 (P):       HA         4.296         4.296         4.424        -0.128
RESID 874 (P):       CA        64.335        64.335        63.779         0.556
RESID 874 (P):       CB        31.515        31.515        31.984        -0.469
RESID 875 (G):        N       112.118       112.118       107.439         4.679
RESID 875 (G):       CA        45.557        45.557        44.495         1.062
RESID 875 (G):        H         8.800         8.800         8.116         0.684
RESID 876 (A):        N       120.262       120.262       124.441        -4.179
RESID 876 (A):       HA         4.100         4.100         5.692        -1.592
RESID 876 (A):       CA        53.073        53.073        50.257         2.816
RESID 876 (A):       CB        20.508        20.508        21.767        -1.259
RESID 876 (A):        H         7.762         7.762         7.794        -0.032
RESID 877 (L):        N       125.695       125.695       121.167         4.528
RESID 877 (L):       HA         4.776         4.776         5.160        -0.384
RESID 877 (L):       CA        54.269        54.269        53.790         0.479
RESID 877 (L):       CB        44.799        44.799        47.110        -2.311
RESID 877 (L):        H         9.595         9.595         9.342         0.253
RESID 878 (D):        N       119.823       119.823       121.531        -1.708
RESID 878 (D):       HA         4.879         4.879         4.463         0.416
RESID 878 (D):       CA        51.997        51.997        52.284        -0.287
RESID 878 (D):       CB        40.781        40.781        41.245        -0.464
RESID 878 (D):        H         9.031         9.031         8.257         0.774
RESID 879 (Y):        N       126.556       126.556       124.237         2.319
RESID 879 (Y):       HA         4.591         4.591         3.766         0.825
RESID 879 (Y):       CA        59.396        59.396        59.368         0.028
RESID 879 (Y):       CB        37.321        37.321        37.283         0.038
RESID 879 (Y):        H         7.456         7.456         7.851        -0.395
RESID 880 (M):        N       119.958       119.958       112.863         7.095
RESID 880 (M):       HA         4.605         4.605         4.697        -0.092
RESID 880 (M):       CA        56.044        56.044        56.569        -0.525
RESID 880 (M):       CB        30.101        30.101        33.171        -3.070
RESID 880 (M):        H         7.627         7.627         7.355         0.272
RESID 881 (S):        N       114.328       114.328       115.703        -1.375
RESID 881 (S):       HA         4.471         4.471         4.612        -0.141
RESID 881 (S):       CA        58.917        58.917        57.286         1.631
RESID 881 (S):       CB        64.447        64.447        63.763         0.684
RESID 881 (S):        H         7.726         7.726         7.944        -0.218
RESID 882 (F):        N       122.735       122.735       119.715         3.020
RESID 882 (F):       HA         4.722         4.722         4.406         0.316
RESID 882 (F):       CA        59.231        59.231        57.209         2.022
RESID 882 (F):       CB        40.285        40.285        39.204         1.081
RESID 882 (F):        H         7.385         7.385         7.323         0.062
RESID 883 (S):        N       120.156       120.156       115.835         4.321
RESID 883 (S):       HA         4.299         4.299         4.448        -0.149
RESID 883 (S):       CA        57.280        57.280        57.519        -0.239
RESID 883 (S):       CB        64.601        64.601        64.258         0.343
RESID 883 (S):        H         7.472         7.472         8.628        -1.156
RESID 884 (T):        N       110.683       110.683       116.846        -6.163
RESID 884 (T):       HA         3.966         3.966         4.342        -0.376
RESID 884 (T):       CA        63.465        63.465        61.521         1.944
RESID 884 (T):       CB        68.899        68.899        68.692         0.207
RESID 884 (T):        H         7.996         7.996         8.140        -0.144
RESID 885 (A):        N       125.456       125.456       123.319         2.137
RESID 885 (A):       HA         4.236         4.236         4.622        -0.386
RESID 885 (A):       CA        52.030        52.030        50.735         1.295
RESID 885 (A):       CB        19.225        19.225        21.147        -1.922
RESID 885 (A):        H         7.905         7.905         7.396         0.509
RESID 886 (L):        N       120.638       120.638       122.663        -2.025
RESID 886 (L):       HA         4.002         4.002         4.192        -0.190
RESID 886 (L):       CA        55.462        55.462        55.076         0.386
RESID 886 (L):       CB        42.265        42.265        42.316        -0.050
RESID 886 (L):        H         8.079         8.079         8.314        -0.235
RESID 887 (Y):        N       121.526       121.526       121.645        -0.119
RESID 887 (Y):       HA         4.356         4.356         4.191         0.165
RESID 887 (Y):       CA        58.750        58.750        58.923        -0.173
RESID 887 (Y):       CB        38.569        38.569        37.797         0.772
RESID 887 (Y):        H         8.267         8.267         8.548        -0.281
RESID 888 (G):        N       112.379       112.379       109.130         3.249
RESID 888 (G):       CA        45.090        45.090        44.737         0.353
RESID 888 (G):        H         8.087         8.087         7.581         0.506
RESID 889 (E):        N       120.255       120.255       119.715         0.540
RESID 889 (E):       HA         4.256         4.256         4.601        -0.345
RESID 889 (E):       CA        56.445        56.445        55.766         0.680
RESID 889 (E):       CB        30.393        30.393        31.384        -0.991
RESID 889 (E):        H         7.994         7.994         8.346        -0.352
RESID 890 (S):        N       116.375       116.375       117.723        -1.348
RESID 890 (S):       HA         4.415         4.415         4.651        -0.236
RESID 890 (S):       CA        58.204        58.204        57.706         0.498
RESID 890 (S):       CB        63.913        63.913        64.794        -0.881
RESID 890 (S):        H         8.329         8.329         8.615        -0.286
RESID 891 (D):        N       123.017       123.017       121.605         1.412
RESID 891 (D):       HA         4.610         4.610         4.742        -0.132
RESID 891 (D):       CA        54.371        54.371        54.939        -0.568
RESID 891 (D):       CB        41.013        41.013        41.222        -0.209
RESID 891 (D):        H         8.394         8.394         8.644        -0.250

                         N          HA           C          CA          CB           H
RESID 743 (I):      -0.549       0.285       -----      -1.682       0.876       0.049
RESID 744 (S):       2.958      -0.109       -----       0.564       0.258       0.353
RESID 745 (Q):      -2.377      -0.173       -----      -0.293      -0.226       0.067
RESID 746 (E):      -0.642      -0.142       -----       1.348      -0.744       1.016
RESID 747 (Q):       0.292      -0.629       -----      -0.511       0.756      -0.599
RESID 748 (M):       3.786      -0.238       -----      -1.115      -1.409       0.233
RESID 749 (N):      -0.931      -0.028       -----      -0.026      -1.295       0.659
RESID 750 (E):       3.474       0.097       -----       0.863      -0.402      -0.536
RESID 751 (F):      -2.803       0.689       -----      -1.204      -1.557       0.203
RESID 752 (R):       0.654       0.338       -----       1.335       1.346       0.934
RESID 753 (A):      -1.447      -0.161       -----       0.814       0.047       0.375
RESID 754 (S):       0.438       0.159       -----       2.787       0.551       0.419
RESID 755 (F):       2.822      -0.351       -----       3.003       1.381       0.874
RESID 756 (N):      -0.262       0.336       -----       2.672      -0.902       0.956
RESID 757 (H):      -0.425      -0.192       -----       0.729      -0.322       0.829
RESID 758 (F):      -2.895      -0.325       -----       2.385      -1.658       0.089
RESID 759 (D):      -0.167       0.058       -----      -2.780      -2.452      -0.353
RESID 760 (R):      -2.437      -0.310       -----      -0.292      -0.483      -0.556
RESID 761 (D):       0.895      -0.253       -----      -1.415      -1.677      -0.362
RESID 762 (H):      -2.698      -0.107       -----      -0.306      -2.359      -0.366
RESID 763 (S):       1.352      -0.099       -----       0.607       0.740       0.642
RESID 764 (G):       6.492       -----       -----      -0.198       -----       2.303
RESID 765 (T):      -3.414      -0.399       -----      -2.218       1.463      -0.455
RESID 766 (L):       0.013       0.060       -----      -1.287      -0.840       0.384
RESID 767 (G):      -0.123       -----       -----       0.331       -----      -0.232
RESID 768 (P):       -----      -0.226       -----       0.900      -0.034       -----
RESID 769 (E):      -3.733      -0.192       -----       0.543       0.249      -0.363
RESID 770 (E):       1.989       0.029       -----      -0.315       1.373      -0.282
RESID 771 (F):      -4.540       0.075       -----      -1.920      -0.662       0.122
RESID 772 (K):       1.233      -0.338       -----       2.414       1.141       0.482
RESID 773 (A):      -2.313      -0.154       -----       1.256      -1.238      -0.221
RESID 774 (C):       1.688      -0.570       -----      -0.907      -1.006      -0.170
RESID 775 (L):       0.618       0.211       -----       1.534      -0.128       0.831
RESID 776 (I):       3.178       1.605       -----       0.926       0.796       1.613
RESID 777 (S):       4.819       0.089       -----       1.485       0.361       0.540
RESID 778 (L):       3.498       0.091       -----       1.575       0.457       0.513
RESID 779 (G):      -1.216       -----       -----      -0.035       -----       0.626
RESID 780 (Y):       4.101      -0.396       -----       4.319      -0.168       0.768
RESID 781 (D):       4.670      -0.016       -----      -0.783      -0.757      -0.358
RESID 782 (I):       9.846      -0.078       -----       0.317      -2.729       0.280
RESID 783 (G):       5.507       -----       -----       0.062       -----       0.080
RESID 784 (N):      -1.531       0.190       -----      -0.428      -0.787      -0.246
RESID 785 (D):      -0.546      -0.254       -----       0.445      -2.784       0.215
RESID 786 (P):       -----      -0.020       -----       0.815       0.096       -----
RESID 787 (Q):       0.611      -0.061       -----       0.995       0.016       0.080
RESID 788 (G):       5.186       -----       -----       0.908       -----       0.250
RESID 789 (E):      -0.129      -0.072       -----      -0.202      -0.011      -0.013
RESID 790 (A):       0.530       0.042       -----      -0.197      -0.642       0.514
RESID 791 (E):       3.407       0.581       -----      -0.435      -0.371       0.562
RESID 792 (F):      -1.210      -0.160       -----       0.465       0.087      -0.035
RESID 793 (A):      -1.455       0.597       -----       0.493      -0.239       0.468
RESID 794 (R):       1.678      -0.084       -----       0.320      -0.143       0.305
RESID 795 (I):       0.623      -0.358       -----       0.717      -0.072      -0.179
RESID 796 (M):       0.645       0.236       -----      -1.780      -1.768       0.447
RESID 797 (S):       1.253      -0.165       -----       1.218      -0.532       0.211
RESID 798 (I):       3.907      -0.279       -----       0.723       0.174      -0.300
RESID 799 (V):      -2.099       0.159       -----       1.582       1.097      -0.039
RESID 800 (D):      -1.193       0.140       -----       1.623      -0.666       0.586
RESID 801 (P):       -----      -0.063       -----       0.997      -0.303       -----
RESID 802 (N):      -1.450       0.021       -----       0.095      -1.746       1.269
RESID 803 (R):       1.673      -0.279       -----      -0.057      -0.834       0.052
RESID 804 (L):       6.621      -0.548       -----       1.885       0.831       2.503
RESID 805 (G):       2.651       -----       -----      -0.676       -----       2.061
RESID 806 (V):      -4.971       0.235       -----      -0.790       1.745      -0.213
RESID 807 (V):      -0.267      -0.161       -----       0.871       0.164       0.265
RESID 808 (T):      -0.980      -0.073       -----       1.677      -0.835       0.300
RESID 809 (F):       2.755      -0.789       -----       0.497       0.673       1.033
RESID 810 (Q):       0.335      -0.612       -----       0.877      -0.380       0.833
RESID 811 (A):      -0.553      -0.105       -----       1.253       0.182      -0.010
RESID 812 (F):       0.944      -0.385       -----      -0.321       1.020       0.085
RESID 813 (I):      -0.697      -0.872       -----       0.769      -0.179       0.501
RESID 814 (D):       3.008      -0.180       -----       0.276      -0.467       0.348
RESID 815 (F):       0.328      -0.302       -----       0.421       0.041       0.107
RESID 816 (M):      -1.570      -0.348       -----      -1.385      -1.677       0.266
RESID 817 (S):       2.173      -0.202       -----       0.511      -0.344      -0.218
RESID 818 (R):      -0.351       0.023       -----      -0.136       0.722      -0.526
RESID 819 (E):       1.908       0.008       -----      -1.666       1.165       0.254
RESID 820 (T):       1.892       0.168       -----      -1.028       1.131       0.347
RESID 821 (A):       1.050      -0.019       -----       1.468      -0.992       0.542
RESID 822 (D):      -1.479       0.096       -----      -0.303      -0.428      -0.027
RESID 823 (T):      -3.410      -0.344       -----       1.275      -2.088      -0.348
RESID 824 (D):      -0.304       0.187       -----      -2.431       0.031      -0.526
RESID 825 (T):       1.197      -0.076       -----      -1.205       0.715      -0.419
RESID 826 (A):       0.463      -0.010       -----       0.153       0.147       0.917
RESID 827 (D):      -0.576       0.070       -----      -1.292      -0.536       0.342
RESID 828 (Q):       2.585       0.029       -----      -0.364      -0.157       0.403
RESID 829 (V):       1.545      -0.307       -----       0.716      -0.531       0.771
RESID 830 (M):       0.554      -0.048       -----       0.067      -0.086      -0.334
RESID 831 (A):      -0.780       0.763       -----       0.479       0.633       0.235
RESID 832 (S):      -1.534       0.183       -----      -0.353      -0.240       0.289
RESID 833 (F):       2.483      -0.388       -----       0.891       0.802      -0.021
RESID 834 (K):      -1.621      -0.141       -----       1.261       0.120      -0.066
RESID 835 (I):      -1.106       0.004       -----      -0.962      -0.108       0.184
RESID 836 (L):       2.069       0.053       -----      -0.227       0.439      -0.404
RESID 837 (A):       0.905      -0.003       -----      -0.459       0.262       0.603
RESID 838 (G):       0.288       -----       -----       0.357       -----      -0.499
RESID 839 (D):      -2.075      -0.421       -----       1.119      -1.513       0.656
RESID 840 (K):      -2.810      -0.271       -----      -0.021       0.226       0.065
RESID 841 (N):       0.161       0.038       -----      -0.570       0.096      -0.314
RESID 842 (Y):      -1.894       0.119       -----      -1.292       0.326      -0.685
RESID 843 (I):      -5.113       0.093       -----       0.952       0.016      -0.508
RESID 844 (T):       0.133       0.055       -----       0.013       0.037       0.206
RESID 845 (M):      -0.909      -0.239       -----      -0.103       0.623      -0.281
RESID 846 (D):      -2.283      -0.130       -----       0.150       0.267      -0.292
RESID 847 (E):       2.096      -0.266       -----       0.814      -0.402       0.190
RESID 848 (L):      -0.856      -0.249       -----       0.995       0.430       0.197
RESID 849 (R):      -1.765      -0.519       -----       0.980       0.470       0.038
RESID 850 (R):      -0.889      -0.144       -----       0.270      -0.074       0.057
RESID 851 (E):      -2.714       0.092       -----      -1.153       0.944      -0.176
RESID 852 (L):      -2.766      -0.230       -----       1.373       0.221       0.052
RESID 853 (P):       -----      -0.225       -----       1.456       0.850       -----
RESID 854 (P):       -----      -0.225       -----       4.487      -1.066       -----
RESID 855 (D):      -4.474      -0.116       -----      -0.213      -1.370       0.555
RESID 856 (Q):       3.299      -0.027       -----      -0.663       1.060      -1.139
RESID 857 (A):       0.467      -0.216       -----       0.720      -0.523       0.706
RESID 858 (E):      -4.581       0.034       -----       0.061      -0.638       0.040
RESID 859 (Y):      -1.772      -0.094       -----       0.241       0.547      -0.772
RESID 860 (C):      -1.207       0.684       -----       0.479       0.337       0.545
RESID 861 (I):       0.029      -0.334       -----       0.261       1.040       0.339
RESID 862 (A):      -5.650       0.197       -----      -1.533       0.305      -0.903
RESID 863 (R):       2.520      -0.278       -----       0.084       0.661      -0.146
RESID 864 (M):      -0.885       0.169       -----      -1.029       3.257      -0.100
RESID 865 (A):      -1.636      -0.785       -----      -0.769       0.134       0.339
RESID 866 (P):       -----      -0.041       -----      -0.165       1.571       -----
RESID 867 (Y):      -4.510       0.156       -----      -0.245       0.442       0.037
RESID 868 (T):       -----      -0.289       -----       0.124      -2.790       -----
RESID 869 (G):       -----       -----       -----       0.134       -----       -----
RESID 870 (P):       -----      -0.111       -----       0.777      -0.709       -----
RESID 871 (D):      -2.153      -0.205       -----      -0.683      -2.311       0.792
RESID 872 (S):      -3.039      -1.012       -----       1.478      -2.285       0.119
RESID 873 (V):      -1.788       0.194       -----      -0.404       0.993      -1.587
RESID 874 (P):       -----      -0.128       -----       0.556      -0.469       -----
RESID 875 (G):       4.679       -----       -----       1.062       -----       0.684
RESID 876 (A):      -4.179      -1.592       -----       2.816      -1.259      -0.032
RESID 877 (L):       4.528      -0.384       -----       0.479      -2.311       0.253
RESID 878 (D):      -1.708       0.416       -----      -0.287      -0.464       0.774
RESID 879 (Y):       2.319       0.825       -----       0.028       0.038      -0.395
RESID 880 (M):       7.095      -0.092       -----      -0.525      -3.070       0.272
RESID 881 (S):      -1.375      -0.141       -----       1.631       0.684      -0.218
RESID 882 (F):       3.020       0.316       -----       2.022       1.081       0.062
RESID 883 (S):       4.321      -0.149       -----      -0.239       0.343      -1.156
RESID 884 (T):      -6.163      -0.376       -----       1.944       0.207      -0.144
RESID 885 (A):       2.137      -0.386       -----       1.295      -1.922       0.509
RESID 886 (L):      -2.025      -0.190       -----       0.386      -0.050      -0.235
RESID 887 (Y):      -0.119       0.165       -----      -0.173       0.772      -0.281
RESID 888 (G):       3.249       -----       -----       0.353       -----       0.506
RESID 889 (E):       0.540      -0.345       -----       0.680      -0.991      -0.352
RESID 890 (S):      -1.348      -0.236       -----       0.498      -0.881      -0.286
RESID 891 (D):       1.412      -0.132       -----      -0.568      -0.209      -0.250

DATA CS_STAT_INFO  N  RMS:   2.747 ppm Count: 139 Average Difference: -0.188 +/- 2.751 ppm
DATA CS_STAT_INFO  HA RMS:   0.359 ppm Count: 160 Average Difference:  0.052 +/- 0.357 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   1.202 ppm Count: 150 Average Difference: -0.297 +/- 1.169 ppm
DATA CS_STAT_INFO  CB RMS:   1.064 ppm Count: 140 Average Difference:  0.180 +/- 1.052 ppm
DATA CS_STAT_INFO  HN RMS:   0.608 ppm Count: 139 Average Difference: -0.164 +/- 0.587 ppm


############################################################################
For conformer 18:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 742 (S):       HA         4.525         4.525         4.403         0.122
RESID 742 (S):       CA        58.148        58.148        59.721        -1.573
RESID 742 (S):       CB        63.791        63.791        63.427         0.364
RESID 743 (I):        N       122.172       122.172       121.528         0.644
RESID 743 (I):       HA         4.362         4.362         4.013         0.349
RESID 743 (I):       CA        60.421        60.421        61.986        -1.565
RESID 743 (I):       CB        39.166        39.166        38.691         0.475
RESID 743 (I):        H         8.132         8.132         7.906         0.226
RESID 744 (S):        N       123.144       123.144       123.298        -0.154
RESID 744 (S):       HA         4.449         4.449         4.692        -0.243
RESID 744 (S):       CA        57.463        57.463        57.177         0.286
RESID 744 (S):       CB        65.219        65.219        66.046        -0.827
RESID 744 (S):        H         8.848         8.848         8.329         0.519
RESID 745 (Q):        N       121.619       121.619       121.356         0.263
RESID 745 (Q):       HA         3.952         3.952         4.126        -0.174
RESID 745 (Q):       CA        58.768        58.768        59.163        -0.395
RESID 745 (Q):       CB        28.512        28.512        28.647        -0.135
RESID 745 (Q):        H         9.042         9.042         9.130        -0.088
RESID 746 (E):        N       118.648       118.648       118.998        -0.350
RESID 746 (E):       HA         4.004         4.004         4.161        -0.157
RESID 746 (E):       CA        60.223        60.223        58.717         1.506
RESID 746 (E):       CB        28.854        28.854        29.300        -0.446
RESID 746 (E):        H         8.721         8.721         8.488         0.233
RESID 747 (Q):        N       120.463       120.463       120.546        -0.083
RESID 747 (Q):       HA         3.766         3.766         4.116        -0.350
RESID 747 (Q):       CA        58.306        58.306        58.809        -0.503
RESID 747 (Q):       CB        28.948        28.948        28.536         0.412
RESID 747 (Q):        H         7.838         7.838         8.200        -0.362
RESID 748 (M):        N       119.252       119.252       115.045         4.207
RESID 748 (M):       HA         4.200         4.200         4.462        -0.262
RESID 748 (M):       CA        58.096        58.096        59.174        -1.078
RESID 748 (M):       CB        30.900        30.900        32.412        -1.512
RESID 748 (M):        H         8.473         8.473         8.012         0.461
RESID 749 (N):        N       117.740       117.740       118.750        -1.010
RESID 749 (N):       HA         4.474         4.474         4.512        -0.038
RESID 749 (N):       CA        55.795        55.795        55.803        -0.008
RESID 749 (N):       CB        37.413        37.413        38.682        -1.269
RESID 749 (N):        H         8.334         8.334         7.577         0.757
RESID 750 (E):        N       122.848       122.848       119.575         3.273
RESID 750 (E):       HA         4.204         4.204         4.150         0.054
RESID 750 (E):       CA        59.341        59.341        58.576         0.765
RESID 750 (E):       CB        29.184        29.184        29.414        -0.230
RESID 750 (E):        H         7.838         7.838         8.457        -0.619
RESID 751 (F):        N       120.177       120.177       122.463        -2.286
RESID 751 (F):       HA         5.021         5.021         4.364         0.657
RESID 751 (F):       CA        58.353        58.353        59.618        -1.265
RESID 751 (F):       CB        37.797        37.797        39.524        -1.727
RESID 751 (F):        H         8.785         8.785         8.599         0.186
RESID 752 (R):        N       120.528       120.528       120.064         0.464
RESID 752 (R):       HA         4.160         4.160         3.982         0.178
RESID 752 (R):       CA        59.704        59.704        58.323         1.381
RESID 752 (R):       CB        29.968        29.968        28.729         1.239
RESID 752 (R):        H         9.016         9.016         8.024         0.992
RESID 753 (A):        N       121.112       121.112       122.340        -1.228
RESID 753 (A):       HA         4.245         4.245         4.530        -0.285
RESID 753 (A):       CA        55.331        55.331        54.385         0.946
RESID 753 (A):       CB        17.823        17.823        17.847        -0.024
RESID 753 (A):        H         8.100         8.100         7.826         0.274
RESID 754 (S):        N       115.589       115.589       115.237         0.352
RESID 754 (S):       HA         4.452         4.452         4.228         0.224
RESID 754 (S):       CA        62.675        62.675        59.878         2.797
RESID 754 (S):       CB        63.359        63.359        62.629         0.730
RESID 754 (S):        H         8.391         8.391         7.960         0.431
RESID 755 (F):        N       121.886       121.886       119.530         2.356
RESID 755 (F):       HA         3.642         3.642         4.112        -0.470
RESID 755 (F):       CA        61.964        61.964        59.040         2.924
RESID 755 (F):       CB        39.822        39.822        38.562         1.260
RESID 755 (F):        H         8.675         8.675         7.818         0.857
RESID 756 (N):        N       113.618       113.618       114.435        -0.817
RESID 756 (N):       HA         4.427         4.427         4.095         0.333
RESID 756 (N):       CA        55.611        55.611        52.696         2.915
RESID 756 (N):       CB        37.838        37.838        38.844        -1.006
RESID 756 (N):        H         8.593         8.593         7.565         1.028
RESID 757 (H):        N       119.679       119.679       120.859        -1.180
RESID 757 (H):       HA         4.079         4.079         4.303        -0.224
RESID 757 (H):       CA        59.344        59.344        58.930         0.414
RESID 757 (H):       CB        29.889        29.889        29.899        -0.010
RESID 757 (H):        H         8.139         8.139         7.406         0.733
RESID 758 (F):        N       113.051       113.051       116.007        -2.956
RESID 758 (F):       HA         4.061         4.061         4.296        -0.235
RESID 758 (F):       CA        60.697        60.697        58.386         2.311
RESID 758 (F):       CB        38.735        38.735        40.516        -1.781
RESID 758 (F):        H         7.585         7.585         7.419         0.166
RESID 759 (D):        N       120.916       120.916       120.824         0.092
RESID 759 (D):       HA         4.509         4.509         4.445         0.064
RESID 759 (D):       CA        52.171        52.171        54.980        -2.809
RESID 759 (D):       CB        38.009        38.009        40.346        -2.337
RESID 759 (D):        H         7.423         7.423         7.770        -0.347
RESID 760 (R):        N       124.819       124.819       127.453        -2.634
RESID 760 (R):       HA         3.768         3.768         4.073        -0.305
RESID 760 (R):       CA        58.275        58.275        58.579        -0.304
RESID 760 (R):       CB        30.249        30.249        30.708        -0.459
RESID 760 (R):        H         7.781         7.781         8.285        -0.504
RESID 761 (D):        N       113.673       113.673       113.291         0.382
RESID 761 (D):       HA         4.483         4.483         4.702        -0.219
RESID 761 (D):       CA        51.977        51.977        53.240        -1.263
RESID 761 (D):       CB        39.522        39.522        40.950        -1.428
RESID 761 (D):        H         7.821         7.821         7.958        -0.137
RESID 762 (H):        N       114.966       114.966       117.343        -2.377
RESID 762 (H):       HA         4.161         4.161         4.295        -0.134
RESID 762 (H):       CA        56.618        56.618        57.096        -0.478
RESID 762 (H):       CB        26.380        26.380        29.045        -2.665
RESID 762 (H):        H         7.744         7.744         7.938        -0.194
RESID 763 (S):        N       115.077       115.077       114.084         0.993
RESID 763 (S):       HA         4.336         4.336         4.432        -0.096
RESID 763 (S):       CA        59.860        59.860        59.816         0.044
RESID 763 (S):       CB        65.192        65.192        64.150         1.042
RESID 763 (S):        H         8.726         8.726         8.684         0.042
RESID 764 (G):        N       116.915       116.915       110.399         6.516
RESID 764 (G):       CA        45.449        45.449        45.635        -0.186
RESID 764 (G):        H        11.017        11.017         8.790         2.227
RESID 765 (T):        N       107.334       107.334       111.145        -3.811
RESID 765 (T):       HA         4.829         4.829         4.671         0.158
RESID 765 (T):       CA        58.759        58.759        60.541        -1.782
RESID 765 (T):       CB        73.383        73.383        71.964         1.419
RESID 765 (T):        H         7.693         7.693         7.978        -0.285
RESID 766 (L):        N       124.664       124.664       123.430         1.234
RESID 766 (L):       HA         4.900         4.900         4.742         0.158
RESID 766 (L):       CA        52.339        52.339        54.371        -2.032
RESID 766 (L):       CB        42.339        42.339        43.893        -1.554
RESID 766 (L):        H         9.209         9.209         8.724         0.485
RESID 767 (G):        N       112.024       112.024       109.728         2.296
RESID 767 (G):       CA        44.123        44.123        43.703         0.420
RESID 767 (G):        H         8.910         8.910         8.909         0.001
RESID 768 (P):       HA         4.318         4.318         4.500        -0.182
RESID 768 (P):       CA        67.127        67.127        66.010         1.117
RESID 768 (P):       CB        32.029        32.029        32.162        -0.133
RESID 769 (E):        N       115.246       115.246       117.270        -2.024
RESID 769 (E):       HA         3.971         3.971         4.060        -0.089
RESID 769 (E):       CA        59.621        59.621        58.833         0.788
RESID 769 (E):       CB        28.628        28.628        29.042        -0.414
RESID 769 (E):        H         8.622         8.622         8.977        -0.355
RESID 770 (E):        N       121.127       121.127       118.275         2.852
RESID 770 (E):       HA         4.272         4.272         4.248         0.024
RESID 770 (E):       CA        58.497        58.497        58.452         0.046
RESID 770 (E):       CB        31.372        31.372        29.954         1.418
RESID 770 (E):        H         7.493         7.493         8.074        -0.581
RESID 771 (F):        N       117.688       117.688       122.441        -4.753
RESID 771 (F):       HA         4.355         4.355         4.381        -0.026
RESID 771 (F):       CA        58.625        58.625        61.056        -2.430
RESID 771 (F):       CB        38.810        38.810        39.381        -0.571
RESID 771 (F):        H         9.110         9.110         8.917         0.193
RESID 772 (K):        N       119.789       119.789       119.251         0.538
RESID 772 (K):       HA         3.313         3.313         3.929        -0.616
RESID 772 (K):       CA        60.672        60.672        58.239         2.433
RESID 772 (K):       CB        31.979        31.979        30.791         1.188
RESID 772 (K):        H         8.594         8.594         8.171         0.423
RESID 773 (A):        N       118.461       118.461       120.836        -2.375
RESID 773 (A):       HA         3.881         3.881         4.019        -0.138
RESID 773 (A):       CA        55.013        55.013        53.996         1.017
RESID 773 (A):       CB        17.629        17.629        18.971        -1.342
RESID 773 (A):        H         7.231         7.231         7.438        -0.207
RESID 774 (C):        N       120.913       120.913       118.531         2.382
RESID 774 (C):       HA         2.435         2.435         2.763        -0.328
RESID 774 (C):       CA        61.174        61.174        61.551        -0.377
RESID 774 (C):       CB        26.215        26.215        27.187        -0.972
RESID 774 (C):        H         7.498         7.498         7.605        -0.107
RESID 775 (L):        N       119.201       119.201       118.514         0.687
RESID 775 (L):       HA         3.766         3.766         3.510         0.256
RESID 775 (L):       CA        57.932        57.932        56.288         1.644
RESID 775 (L):       CB        40.950        40.950        41.249        -0.299
RESID 775 (L):        H         8.372         8.372         7.810         0.562
RESID 776 (I):        N       121.051       121.051       118.257         2.794
RESID 776 (I):       HA         4.090         4.090         2.211         1.879
RESID 776 (I):       CA        65.244        65.244        64.055         1.189
RESID 776 (I):       CB        37.991        37.991        37.097         0.894
RESID 776 (I):        H         8.358         8.358         6.626         1.732
RESID 777 (S):        N       119.109       119.109       113.119         5.990
RESID 777 (S):       HA         4.291         4.291         4.214         0.077
RESID 777 (S):       CA        61.725        61.725        60.096         1.629
RESID 777 (S):       CB        62.995        62.995        63.127        -0.132
RESID 777 (S):        H         7.822         7.822         7.331         0.491
RESID 778 (L):        N       121.208       121.208       116.689         4.519
RESID 778 (L):       HA         4.506         4.506         4.356         0.150
RESID 778 (L):       CA        54.999        54.999        54.047         0.952
RESID 778 (L):       CB        42.670        42.670        42.496         0.174
RESID 778 (L):        H         7.671         7.671         7.024         0.647
RESID 779 (G):        N       106.232       106.232       106.784        -0.552
RESID 779 (G):       CA        45.287        45.287        44.810         0.477
RESID 779 (G):        H         7.897         7.897         7.269         0.628
RESID 780 (Y):        N       120.772       120.772       119.046         1.726
RESID 780 (Y):       HA         4.142         4.142         4.584        -0.442
RESID 780 (Y):       CA        59.231        59.231        54.487         4.744
RESID 780 (Y):       CB        38.341        38.341        38.657        -0.316
RESID 780 (Y):        H         8.072         8.072         7.487         0.585
RESID 781 (D):        N       124.304       124.304       120.870         3.434
RESID 781 (D):       HA         4.665         4.665         4.679        -0.014
RESID 781 (D):       CA        53.148        53.148        54.274        -1.126
RESID 781 (D):       CB        39.804        39.804        40.733        -0.929
RESID 781 (D):        H         8.862         8.862         9.185        -0.323
RESID 782 (I):        N       122.271       122.271       111.646        10.625
RESID 782 (I):       HA         4.341         4.341         4.468        -0.127
RESID 782 (I):       CA        58.992        58.992        58.459         0.533
RESID 782 (I):       CB        37.907        37.907        42.099        -4.192
RESID 782 (I):        H         7.344         7.344         6.839         0.505
RESID 783 (G):        N       112.322       112.322       106.485         5.837
RESID 783 (G):       CA        44.523        44.523        44.403         0.120
RESID 783 (G):        H         8.122         8.122         8.236        -0.114
RESID 784 (N):        N       118.727       118.727       119.817        -1.090
RESID 784 (N):       HA         4.882         4.882         4.818         0.064
RESID 784 (N):       CA        52.098        52.098        52.813        -0.715
RESID 784 (N):       CB        37.424        37.424        37.353         0.070
RESID 784 (N):        H         8.452         8.452         8.650        -0.198
RESID 785 (D):        N       119.826       119.826       120.481        -0.655
RESID 785 (D):       HA         4.778         4.778         5.065        -0.287
RESID 785 (D):       CA        52.164        52.164        51.429         0.735
RESID 785 (D):       CB        39.657        39.657        42.774        -3.117
RESID 785 (D):        H         8.145         8.145         7.730         0.415
RESID 786 (P):       HA         4.271         4.271         4.321        -0.050
RESID 786 (P):       CA        66.265        66.265        65.335         0.930
RESID 786 (P):       CB        32.011        32.011        32.273        -0.262
RESID 787 (Q):        N       118.097       118.097       118.165        -0.068
RESID 787 (Q):       HA         4.141         4.141         4.090         0.051
RESID 787 (Q):       CA        59.115        59.115        58.658         0.457
RESID 787 (Q):       CB        27.732        27.732        27.982        -0.250
RESID 787 (Q):        H         8.409         8.409         8.509        -0.100
RESID 788 (G):        N       113.421       113.421       108.076         5.345
RESID 788 (G):       CA        47.317        47.317        46.665         0.652
RESID 788 (G):        H         8.644         8.644         8.363         0.281
RESID 789 (E):        N       121.223       121.223       121.458        -0.235
RESID 789 (E):       HA         4.148         4.148         4.320        -0.172
RESID 789 (E):       CA        59.344        59.344        59.364        -0.020
RESID 789 (E):       CB        29.435        29.435        29.279         0.156
RESID 789 (E):        H         8.514         8.514         8.565        -0.051
RESID 790 (A):        N       122.879       122.879       122.233         0.646
RESID 790 (A):       HA         4.247         4.247         4.173         0.074
RESID 790 (A):       CA        54.907        54.907        55.121        -0.214
RESID 790 (A):       CB        17.780        17.780        18.370        -0.591
RESID 790 (A):        H         8.024         8.024         7.531         0.493
RESID 791 (E):        N       122.622       122.622       118.810         3.812
RESID 791 (E):       HA         4.687         4.687         4.113         0.574
RESID 791 (E):       CA        58.134        58.134        58.592        -0.458
RESID 791 (E):       CB        29.061        29.061        29.528        -0.467
RESID 791 (E):        H         8.280         8.280         7.641         0.639
RESID 792 (F):        N       119.949       119.949       120.961        -1.012
RESID 792 (F):       HA         4.038         4.038         4.326        -0.288
RESID 792 (F):       CA        61.812        61.812        60.942         0.870
RESID 792 (F):       CB        38.598        38.598        38.655        -0.057
RESID 792 (F):        H         8.722         8.722         8.652         0.070
RESID 793 (A):        N       119.652       119.652       121.753        -2.101
RESID 793 (A):       HA         3.854         3.854         3.186         0.668
RESID 793 (A):       CA        54.902        54.902        54.607         0.295
RESID 793 (A):       CB        17.628        17.628        17.717        -0.089
RESID 793 (A):        H         8.163         8.163         8.061         0.102
RESID 794 (R):        N       121.092       121.092       118.979         2.113
RESID 794 (R):       HA         3.910         3.910         3.975        -0.065
RESID 794 (R):       CA        59.471        59.471        59.108         0.363
RESID 794 (R):       CB        30.092        30.092        30.211        -0.119
RESID 794 (R):        H         8.034         8.034         7.390         0.644
RESID 795 (I):        N       121.394       121.394       120.795         0.599
RESID 795 (I):       HA         3.388         3.388         3.690        -0.302
RESID 795 (I):       CA        65.848        65.848        65.366         0.482
RESID 795 (I):       CB        38.209        38.209        38.221        -0.012
RESID 795 (I):        H         8.049         8.049         7.577         0.472
RESID 796 (M):        N       119.012       119.012       118.386         0.626
RESID 796 (M):       HA         4.155         4.155         3.675         0.479
RESID 796 (M):       CA        56.470        56.470        58.249        -1.779
RESID 796 (M):       CB        29.892        29.892        31.463        -1.571
RESID 796 (M):        H         8.589         8.589         8.266         0.323
RESID 797 (S):        N       114.132       114.132       112.031         2.101
RESID 797 (S):       HA         4.097         4.097         4.297        -0.200
RESID 797 (S):       CA        61.231        61.231        59.563         1.668
RESID 797 (S):       CB        62.895        62.895        63.286        -0.391
RESID 797 (S):        H         7.732         7.732         7.578         0.154
RESID 798 (I):        N       120.873       120.873       116.593         4.280
RESID 798 (I):       HA         3.818         3.818         4.143        -0.325
RESID 798 (I):       CA        63.875        63.875        62.884         0.991
RESID 798 (I):       CB        38.863        38.863        38.479         0.384
RESID 798 (I):        H         7.352         7.352         7.548        -0.196
RESID 799 (V):        N       110.552       110.552       112.527        -1.975
RESID 799 (V):       HA         4.243         4.243         4.103         0.140
RESID 799 (V):       CA        62.616        62.616        61.227         1.389
RESID 799 (V):       CB        32.416        32.416        31.395         1.020
RESID 799 (V):        H         7.648         7.648         7.564         0.084
RESID 800 (D):        N       119.435       119.435       117.666         1.769
RESID 800 (D):       HA         5.225         5.225         4.946         0.279
RESID 800 (D):       CA        51.715        51.715        50.216         1.499
RESID 800 (D):       CB        41.086        41.086        40.980         0.106
RESID 800 (D):        H         8.074         8.074         7.765         0.309
RESID 801 (P):       HA         4.331         4.331         4.352        -0.021
RESID 801 (P):       CA        64.819        64.819        64.117         0.702
RESID 801 (P):       CB        31.689        31.689        31.848        -0.159
RESID 802 (N):        N       115.164       115.164       115.736        -0.572
RESID 802 (N):       HA         4.760         4.760         4.697         0.063
RESID 802 (N):       CA        52.998        52.998        52.910         0.088
RESID 802 (N):       CB        37.952        37.952        38.998        -1.046
RESID 802 (N):        H         8.949         8.949         8.157         0.792
RESID 803 (R):        N       117.446       117.446       115.955         1.491
RESID 803 (R):       HA         3.830         3.830         4.280        -0.450
RESID 803 (R):       CA        56.888        56.888        56.922        -0.034
RESID 803 (R):       CB        26.354        26.354        27.346        -0.992
RESID 803 (R):        H         7.958         7.958         8.202        -0.244
RESID 804 (L):        N       123.307       123.307       116.777         6.530
RESID 804 (L):       HA         4.156         4.156         4.655        -0.499
RESID 804 (L):       CA        56.373        56.373        54.372         2.001
RESID 804 (L):       CB        42.930        42.930        41.429         1.501
RESID 804 (L):        H        10.591        10.591         7.722         2.869
RESID 805 (G):        N       110.516       110.516       106.339         4.177
RESID 805 (G):       CA        44.944        44.944        45.705        -0.761
RESID 805 (G):        H        11.001        11.001         8.330         2.671
RESID 806 (V):        N       109.840       109.840       115.288        -5.448
RESID 806 (V):       HA         4.571         4.571         4.287         0.284
RESID 806 (V):       CA        58.566        58.566        59.407        -0.841
RESID 806 (V):       CB        36.853        36.853        34.424         2.429
RESID 806 (V):        H         6.831         6.831         7.217        -0.386
RESID 807 (V):        N       122.184       122.184       121.578         0.606
RESID 807 (V):       HA         4.167         4.167         4.175        -0.008
RESID 807 (V):       CA        61.644        61.644        61.403         0.241
RESID 807 (V):       CB        32.383        32.383        31.553         0.830
RESID 807 (V):        H         9.007         9.007         8.698         0.309
RESID 808 (T):        N       117.391       117.391       117.024         0.367
RESID 808 (T):       HA         4.593         4.593         4.589         0.004
RESID 808 (T):       CA        60.615        60.615        58.901         1.714
RESID 808 (T):       CB        70.695        70.695        71.455        -0.760
RESID 808 (T):        H         7.925         7.925         7.710         0.215
RESID 809 (F):        N       122.236       122.236       118.607         3.629
RESID 809 (F):       HA         3.640         3.640         4.473        -0.833
RESID 809 (F):       CA        61.749        61.749        61.296         0.453
RESID 809 (F):       CB        38.177        38.177        37.568         0.609
RESID 809 (F):        H         9.349         9.349         8.129         1.220
RESID 810 (Q):        N       116.788       116.788       116.610         0.178
RESID 810 (Q):       HA         3.598         3.598         4.221        -0.623
RESID 810 (Q):       CA        58.582        58.582        57.785         0.797
RESID 810 (Q):       CB        28.199        28.199        28.637        -0.438
RESID 810 (Q):        H         8.572         8.572         7.879         0.693
RESID 811 (A):        N       121.208       121.208       121.767        -0.559
RESID 811 (A):       HA         4.119         4.119         4.279        -0.160
RESID 811 (A):       CA        54.911        54.911        53.674         1.237
RESID 811 (A):       CB        19.265        19.265        19.248         0.017
RESID 811 (A):        H         7.667         7.667         7.631         0.036
RESID 812 (F):        N       119.805       119.805       118.971         0.834
RESID 812 (F):       HA         3.980         3.980         4.491        -0.511
RESID 812 (F):       CA        61.740        61.740        62.125        -0.385
RESID 812 (F):       CB        39.670        39.670        38.636         1.034
RESID 812 (F):        H         8.400         8.400         8.408        -0.008
RESID 813 (I):        N       118.098       118.098       118.917        -0.819
RESID 813 (I):       HA         3.146         3.146         3.980        -0.834
RESID 813 (I):       CA        63.299        63.299        62.852         0.447
RESID 813 (I):       CB        36.202        36.202        36.387        -0.185
RESID 813 (I):        H         8.364         8.364         7.897         0.467
RESID 814 (D):        N       123.528       123.528       120.537         2.991
RESID 814 (D):       HA         4.196         4.196         4.341        -0.145
RESID 814 (D):       CA        57.680        57.680        57.827        -0.146
RESID 814 (D):       CB        40.236        40.236        40.796        -0.560
RESID 814 (D):        H         8.221         8.221         7.935         0.286
RESID 815 (F):        N       120.584       120.584       120.285         0.299
RESID 815 (F):       HA         4.129         4.129         4.382        -0.253
RESID 815 (F):       CA        61.084        61.084        60.628         0.456
RESID 815 (F):       CB        39.698        39.698        39.526         0.172
RESID 815 (F):        H         7.887         7.887         7.904        -0.017
RESID 816 (M):        N       116.960       116.960       118.607        -1.647
RESID 816 (M):       HA         3.782         3.782         4.063        -0.281
RESID 816 (M):       CA        55.662        55.662        57.274        -1.612
RESID 816 (M):       CB        30.033        30.033        31.691        -1.657
RESID 816 (M):        H         8.372         8.372         8.035         0.337
RESID 817 (S):        N       114.277       114.277       112.140         2.137
RESID 817 (S):       HA         4.194         4.194         4.357        -0.163
RESID 817 (S):       CA        60.521        60.521        60.309         0.212
RESID 817 (S):       CB        63.185        63.185        63.465        -0.280
RESID 817 (S):        H         8.074         8.074         8.414        -0.340
RESID 818 (R):        N       121.493       121.493       121.250         0.243
RESID 818 (R):       HA         4.124         4.124         4.194        -0.070
RESID 818 (R):       CA        57.684        57.684        57.063         0.621
RESID 818 (R):       CB        30.315        30.315        29.508         0.807
RESID 818 (R):        H         7.288         7.288         7.934        -0.646
RESID 819 (E):        N       119.737       119.737       118.426         1.311
RESID 819 (E):       HA         4.101         4.101         4.107        -0.006
RESID 819 (E):       CA        57.066        57.066        58.258        -1.192
RESID 819 (E):       CB        30.491        30.491        29.109         1.382
RESID 819 (E):        H         8.045         8.045         7.592         0.453
RESID 820 (T):        N       112.128       112.128       110.725         1.403
RESID 820 (T):       HA         4.280         4.280         4.129         0.151
RESID 820 (T):       CA        62.055        62.055        62.663        -0.608
RESID 820 (T):       CB        69.828        69.828        68.957         0.871
RESID 820 (T):        H         7.760         7.760         7.350         0.410
RESID 821 (A):        N       126.098       126.098       123.329         2.769
RESID 821 (A):       HA         4.284         4.284         4.444        -0.160
RESID 821 (A):       CA        52.726        52.726        50.368         2.358
RESID 821 (A):       CB        19.304        19.304        20.913        -1.609
RESID 821 (A):        H         7.957         7.957         7.416         0.541
RESID 822 (D):        N       119.904       119.904       118.456         1.448
RESID 822 (D):       HA         4.613         4.613         4.382         0.231
RESID 822 (D):       CA        54.335        54.335        53.217         1.119
RESID 822 (D):       CB        41.032        41.032        41.766        -0.734
RESID 822 (D):        H         8.352         8.352         8.142         0.210
RESID 823 (T):        N       114.142       114.142       114.750        -0.608
RESID 823 (T):       HA         4.278         4.278         4.698        -0.420
RESID 823 (T):       CA        62.117        62.117        60.811         1.306
RESID 823 (T):       CB        69.584        69.584        72.358        -2.774
RESID 823 (T):        H         8.079         8.079         8.184        -0.105
RESID 824 (D):        N       123.261       123.261       122.535         0.726
RESID 824 (D):       HA         4.657         4.657         4.499         0.158
RESID 824 (D):       CA        54.786        54.786        57.637        -2.851
RESID 824 (D):       CB        41.085        41.085        40.599         0.486
RESID 824 (D):        H         8.431         8.431         9.048        -0.617
RESID 825 (T):        N       114.932       114.932       110.738         4.194
RESID 825 (T):       HA         4.161         4.161         4.369        -0.208
RESID 825 (T):       CA        63.109        63.109        64.097        -0.987
RESID 825 (T):       CB        69.455        69.455        68.918         0.537
RESID 825 (T):        H         8.155         8.155         8.448        -0.293
RESID 826 (A):        N       124.961       124.961       124.254         0.707
RESID 826 (A):       HA         4.160         4.160         4.149         0.011
RESID 826 (A):       CA        54.392        54.392        54.341         0.051
RESID 826 (A):       CB        18.610        18.610        18.446         0.164
RESID 826 (A):        H         8.379         8.379         7.663         0.716
RESID 827 (D):        N       117.765       117.765       118.165        -0.400
RESID 827 (D):       HA         4.425         4.425         4.454        -0.029
RESID 827 (D):       CA        56.051        56.051        56.973        -0.922
RESID 827 (D):       CB        40.559        40.559        41.059        -0.500
RESID 827 (D):        H         8.250         8.250         7.840         0.410
RESID 828 (Q):        N       120.523       120.523       118.256         2.267
RESID 828 (Q):       HA         4.091         4.091         4.126        -0.035
RESID 828 (Q):       CA        57.814        57.814        58.241        -0.427
RESID 828 (Q):       CB        28.549        28.549        28.695        -0.146
RESID 828 (Q):        H         8.076         8.076         7.592         0.484
RESID 829 (V):        N       120.970       120.970       120.642         0.328
RESID 829 (V):       HA         3.525         3.525         3.788        -0.263
RESID 829 (V):       CA        65.194        65.194        64.661         0.533
RESID 829 (V):       CB        31.541        31.541        31.332         0.209
RESID 829 (V):        H         8.051         8.051         7.326         0.725
RESID 830 (M):        N       119.572       119.572       117.862         1.710
RESID 830 (M):       HA         4.006         4.006         3.189         0.817
RESID 830 (M):       CA        57.977        57.977        57.556         0.421
RESID 830 (M):       CB        31.995        31.995        31.232         0.763
RESID 830 (M):        H         8.110         8.110         7.595         0.515
RESID 831 (A):        N       121.059       121.059       122.340        -1.281
RESID 831 (A):       HA         4.045         4.045         3.978         0.067
RESID 831 (A):       CA        54.501        54.501        54.307         0.194
RESID 831 (A):       CB        18.067        18.067        18.019         0.048
RESID 831 (A):        H         7.836         7.836         7.426         0.410
RESID 832 (S):        N       114.256       114.256       115.443        -1.187
RESID 832 (S):       HA         4.141         4.141         4.059         0.082
RESID 832 (S):       CA        60.845        60.845        61.068        -0.223
RESID 832 (S):       CB        62.613        62.613        62.852        -0.239
RESID 832 (S):        H         7.714         7.714         7.627         0.087
RESID 833 (F):        N       121.847       121.847       120.734         1.113
RESID 833 (F):       HA         3.823         3.823         4.254        -0.431
RESID 833 (F):       CA        58.627        58.627        57.888         0.739
RESID 833 (F):       CB        38.127        38.127        37.827         0.300
RESID 833 (F):        H         7.740         7.740         7.456         0.284
RESID 834 (K):        N       118.759       118.759       120.396        -1.637
RESID 834 (K):       HA         3.589         3.589         3.410         0.179
RESID 834 (K):       CA        59.384        59.384        58.379         1.005
RESID 834 (K):       CB        32.143        32.143        31.738         0.405
RESID 834 (K):        H         7.843         7.843         7.728         0.115
RESID 835 (I):        N       118.537       118.537       119.573        -1.036
RESID 835 (I):       HA         3.736         3.736         3.711         0.025
RESID 835 (I):       CA        63.714        63.714        64.572        -0.858
RESID 835 (I):       CB        37.825        37.825        37.843        -0.018
RESID 835 (I):        H         7.315         7.315         7.164         0.151
RESID 836 (L):        N       121.201       121.201       118.916         2.285
RESID 836 (L):       HA         3.955         3.955         3.928         0.027
RESID 836 (L):       CA        57.074        57.074        57.296        -0.222
RESID 836 (L):       CB        42.415        42.415        41.989         0.426
RESID 836 (L):        H         7.625         7.625         7.753        -0.128
RESID 837 (A):        N       119.184       119.184       118.373         0.811
RESID 837 (A):       HA         3.895         3.895         3.905        -0.010
RESID 837 (A):       CA        53.301        53.301        53.881        -0.580
RESID 837 (A):       CB        19.338        19.338        19.090         0.248
RESID 837 (A):        H         8.099         8.099         7.518         0.581
RESID 838 (G):        N       107.030       107.030       106.377         0.653
RESID 838 (G):       CA        46.918        46.918        46.882         0.036
RESID 838 (G):        H         7.676         7.676         8.471        -0.795
RESID 839 (D):        N       122.291       122.291       124.678        -2.387
RESID 839 (D):       HA         4.477         4.477         4.676        -0.199
RESID 839 (D):       CA        54.511        54.511        53.864         0.647
RESID 839 (D):       CB        40.181        40.181        41.671        -1.490
RESID 839 (D):        H         8.704         8.704         8.115         0.589
RESID 840 (K):        N       117.582       117.582       120.780        -3.198
RESID 840 (K):       HA         4.301         4.301         4.445        -0.144
RESID 840 (K):       CA        55.780        55.780        56.112        -0.332
RESID 840 (K):       CB        33.710        33.710        33.223         0.487
RESID 840 (K):        H         7.583         7.583         7.300         0.283
RESID 841 (N):        N       116.678       116.678       117.137        -0.459
RESID 841 (N):       HA         4.611         4.611         4.626        -0.015
RESID 841 (N):       CA        53.466        53.466        54.469        -1.003
RESID 841 (N):       CB        39.155        39.155        39.218        -0.063
RESID 841 (N):        H         8.693         8.693         9.088        -0.395
RESID 842 (Y):        N       112.236       112.236       113.880        -1.644
RESID 842 (Y):       HA         4.986         4.986         4.761         0.225
RESID 842 (Y):       CA        54.918        54.918        55.966        -1.048
RESID 842 (Y):       CB        40.595        40.595        41.234        -0.639
RESID 842 (Y):        H         6.637         6.637         7.073        -0.436
RESID 843 (I):        N       115.475       115.475       121.901        -6.426
RESID 843 (I):       HA         4.792         4.792         4.519         0.274
RESID 843 (I):       CA        58.957        58.957        58.403         0.554
RESID 843 (I):       CB        43.009        43.009        42.835         0.174
RESID 843 (I):        H         8.630         8.630         9.306        -0.676
RESID 844 (T):        N       117.169       117.169       118.918        -1.749
RESID 844 (T):       HA         5.370         5.370         5.201         0.169
RESID 844 (T):       CA        60.177        60.177        60.621        -0.444
RESID 844 (T):       CB        71.088        71.088        70.632         0.456
RESID 844 (T):        H         9.330         9.330         9.426        -0.096
RESID 845 (M):        N       119.860       119.860       120.729        -0.869
RESID 845 (M):       HA         3.824         3.824         3.943        -0.119
RESID 845 (M):       CA        60.321        60.321        60.316         0.005
RESID 845 (M):       CB        33.030        33.030        32.046         0.984
RESID 845 (M):        H         8.556         8.556         8.656        -0.100
RESID 846 (D):        N       116.363       116.363       118.537        -2.174
RESID 846 (D):       HA         4.280         4.280         4.388        -0.108
RESID 846 (D):       CA        57.404        57.404        56.569         0.835
RESID 846 (D):       CB        40.584        40.584        40.607        -0.023
RESID 846 (D):        H         8.377         8.377         8.585        -0.208
RESID 847 (E):        N       120.577       120.577       118.244         2.333
RESID 847 (E):       HA         3.854         3.854         4.111        -0.257
RESID 847 (E):       CA        59.657        59.657        58.790         0.867
RESID 847 (E):       CB        29.660        29.660        29.979        -0.319
RESID 847 (E):        H         7.855         7.855         7.648         0.207
RESID 848 (L):        N       118.714       118.714       120.261        -1.547
RESID 848 (L):       HA         3.822         3.822         3.881        -0.059
RESID 848 (L):       CA        58.725        58.725        57.771         0.954
RESID 848 (L):       CB        42.457        42.457        41.704         0.753
RESID 848 (L):        H         7.849         7.849         7.483         0.366
RESID 849 (R):        N       113.972       113.972       115.636        -1.664
RESID 849 (R):       HA         3.924         3.924         4.427        -0.503
RESID 849 (R):       CA        58.595        58.595        57.375         1.220
RESID 849 (R):       CB        30.100        30.100        29.522         0.578
RESID 849 (R):        H         8.053         8.053         7.896         0.157
RESID 850 (R):        N       118.178       118.178       118.831        -0.653
RESID 850 (R):       HA         4.193         4.193         4.320        -0.127
RESID 850 (R):       CA        58.245        58.245        57.944         0.301
RESID 850 (R):       CB        31.120        31.120        31.148        -0.028
RESID 850 (R):        H         7.743         7.743         7.417         0.326
RESID 851 (E):        N       115.518       115.518       118.288        -2.770
RESID 851 (E):       HA         4.350         4.350         4.390        -0.040
RESID 851 (E):       CA        56.886        56.886        57.356        -0.470
RESID 851 (E):       CB        31.590        31.590        31.041         0.549
RESID 851 (E):        H         7.596         7.596         7.758        -0.162
RESID 852 (L):        N       119.148       119.148       122.500        -3.352
RESID 852 (L):       HA         4.894         4.894         5.021        -0.127
RESID 852 (L):       CA        52.174        52.174        50.776         1.398
RESID 852 (L):       CB        42.469        42.469        41.431         1.038
RESID 852 (L):        H         7.890         7.890         8.047        -0.157
RESID 853 (P):       HA         4.347         4.347         4.541        -0.194
RESID 853 (P):       CA        65.119        65.119        63.758         1.361
RESID 853 (P):       CB        31.631        31.631        30.630         1.001
RESID 854 (P):       HA         4.270         4.270         4.494        -0.224
RESID 854 (P):       CA        66.336        66.336        61.871         4.465
RESID 854 (P):       CB        32.256        32.256        33.237        -0.981
RESID 855 (D):        N       114.865       114.865       119.022        -4.157
RESID 855 (D):       HA         4.349         4.349         4.275         0.074
RESID 855 (D):       CA        56.913        56.913        57.188        -0.275
RESID 855 (D):       CB        39.244        39.244        40.692        -1.448
RESID 855 (D):        H         8.801         8.801         8.311         0.490
RESID 856 (Q):        N       121.465       121.465       118.584         2.881
RESID 856 (Q):       HA         4.199         4.199         4.280        -0.081
RESID 856 (Q):       CA        58.317        58.317        59.553        -1.236
RESID 856 (Q):       CB        29.247        29.247        28.317         0.930
RESID 856 (Q):        H         7.472         7.472         8.611        -1.139
RESID 857 (A):        N       122.805       122.805       122.003         0.802
RESID 857 (A):       HA         3.799         3.799         3.939        -0.140
RESID 857 (A):       CA        56.303        56.303        55.807         0.496
RESID 857 (A):       CB        17.944        17.944        18.280        -0.336
RESID 857 (A):        H         8.882         8.882         8.206         0.676
RESID 858 (E):        N       114.094       114.094       118.771        -4.677
RESID 858 (E):       HA         4.024         4.024         4.025        -0.001
RESID 858 (E):       CA        58.682        58.682        58.457         0.225
RESID 858 (E):       CB        28.639        28.639        29.161        -0.522
RESID 858 (E):        H         8.155         8.155         7.708         0.447
RESID 859 (Y):        N       120.665       120.665       122.411        -1.746
RESID 859 (Y):       HA         4.084         4.084         4.151        -0.067
RESID 859 (Y):       CA        61.006        61.006        61.199        -0.193
RESID 859 (Y):       CB        38.687        38.687        38.031         0.656
RESID 859 (Y):        H         7.708         7.708         8.576        -0.868
RESID 860 (C):        N       115.812       115.812       117.130        -1.318
RESID 860 (C):       HA         4.158         4.158         3.407         0.751
RESID 860 (C):       CA        64.254        64.254        63.589         0.665
RESID 860 (C):       CB        27.304        27.304        26.873         0.431
RESID 860 (C):        H         8.113         8.113         7.544         0.569
RESID 861 (I):        N       120.078       120.078       119.385         0.693
RESID 861 (I):       HA         3.339         3.339         3.585        -0.246
RESID 861 (I):       CA        65.643        65.643        65.194         0.449
RESID 861 (I):       CB        38.714        38.714        37.908         0.806
RESID 861 (I):        H         8.453         8.453         7.768         0.685
RESID 862 (A):        N       116.691       116.691       121.129        -4.438
RESID 862 (A):       HA         4.209         4.209         4.022         0.187
RESID 862 (A):       CA        53.222        53.222        54.567        -1.345
RESID 862 (A):       CB        19.002        19.002        19.229        -0.227
RESID 862 (A):        H         7.307         7.307         8.135        -0.828
RESID 863 (R):        N       117.226       117.226       116.093         1.133
RESID 863 (R):       HA         4.274         4.274         4.424        -0.150
RESID 863 (R):       CA        56.051        56.051        57.108        -1.058
RESID 863 (R):       CB        31.389        31.389        30.592         0.797
RESID 863 (R):        H         7.358         7.358         7.594        -0.236
RESID 864 (M):        N       117.583       117.583       118.440        -0.857
RESID 864 (M):       HA         4.561         4.561         4.431         0.130
RESID 864 (M):       CA        54.927        54.927        56.258        -1.331
RESID 864 (M):       CB        37.418        37.418        33.935         3.482
RESID 864 (M):        H         7.153         7.153         7.446        -0.293
RESID 865 (A):        N       124.643       124.643       127.196        -2.553
RESID 865 (A):       HA         3.866         3.866         4.651        -0.785
RESID 865 (A):       CA        49.194        49.194        49.996        -0.802
RESID 865 (A):       CB        18.647        18.647        18.589         0.058
RESID 865 (A):        H         8.557         8.557         8.300         0.257
RESID 866 (P):       HA         4.496         4.496         4.535        -0.039
RESID 866 (P):       CA        62.724        62.724        62.783        -0.059
RESID 866 (P):       CB        31.980        31.980        30.360         1.620
RESID 867 (Y):        N       122.461       122.461       126.196        -3.735
RESID 867 (Y):       HA         4.728         4.728         4.433         0.295
RESID 867 (Y):       CA        57.096        57.096        58.149        -1.053
RESID 867 (Y):       CB        39.175        39.175        38.383         0.792
RESID 867 (Y):        H         8.128         8.128         8.118         0.010
RESID 868 (T):       HA         4.351         4.351         4.523        -0.172
RESID 868 (T):       CA        60.271        60.271        60.070         0.201
RESID 868 (T):       CB        68.737        68.737        70.874        -2.137
RESID 869 (G):       CA        44.914        44.914        45.130        -0.216
RESID 870 (P):       HA         4.329         4.329         4.453        -0.124
RESID 870 (P):       CA        64.697        64.697        64.187         0.510
RESID 870 (P):       CB        31.579        31.579        32.240        -0.661
RESID 871 (D):        N       116.207       116.207       116.821        -0.614
RESID 871 (D):       HA         4.604         4.604         4.666        -0.062
RESID 871 (D):       CA        52.749        52.749        54.701        -1.952
RESID 871 (D):       CB        38.929        38.929        41.104        -2.175
RESID 871 (D):        H         9.267         9.267         8.305         0.962
RESID 872 (S):        N       112.349       112.349       114.262        -1.913
RESID 872 (S):       HA         3.497         3.497         3.965        -0.468
RESID 872 (S):       CA        59.065        59.065        58.620         0.445
RESID 872 (S):       CB        63.125        63.125        64.408        -1.283
RESID 872 (S):        H         7.487         7.487         7.585        -0.098
RESID 873 (V):        N       113.567       113.567       113.375         0.192
RESID 873 (V):       HA         4.729         4.729         4.624         0.105
RESID 873 (V):       CA        58.044        58.044        57.537         0.507
RESID 873 (V):       CB        32.911        32.911        33.414        -0.503
RESID 873 (V):        H         6.411         6.411         7.835        -1.424
RESID 874 (P):       HA         4.296         4.296         4.381        -0.085
RESID 874 (P):       CA        64.335        64.335        63.954         0.381
RESID 874 (P):       CB        31.515        31.515        31.488         0.027
RESID 875 (G):        N       112.118       112.118       110.387         1.731
RESID 875 (G):       CA        45.557        45.557        44.925         0.631
RESID 875 (G):        H         8.800         8.800         8.571         0.229
RESID 876 (A):        N       120.262       120.262       122.543        -2.281
RESID 876 (A):       HA         4.100         4.100         5.521        -1.421
RESID 876 (A):       CA        53.073        53.073        50.510         2.563
RESID 876 (A):       CB        20.508        20.508        21.602        -1.094
RESID 876 (A):        H         7.762         7.762         7.557         0.205
RESID 877 (L):        N       125.695       125.695       121.465         4.230
RESID 877 (L):       HA         4.776         4.776         5.277        -0.501
RESID 877 (L):       CA        54.269        54.269        53.682         0.587
RESID 877 (L):       CB        44.799        44.799        47.110        -2.311
RESID 877 (L):        H         9.595         9.595         9.252         0.343
RESID 878 (D):        N       119.823       119.823       121.570        -1.747
RESID 878 (D):       HA         4.879         4.879         4.367         0.512
RESID 878 (D):       CA        51.997        51.997        52.615        -0.618
RESID 878 (D):       CB        40.781        40.781        41.370        -0.589
RESID 878 (D):        H         9.031         9.031         8.042         0.989
RESID 879 (Y):        N       126.556       126.556       120.944         5.612
RESID 879 (Y):       HA         4.591         4.591         4.359         0.232
RESID 879 (Y):       CA        59.396        59.396        59.783        -0.387
RESID 879 (Y):       CB        37.321        37.321        38.154        -0.833
RESID 879 (Y):        H         7.456         7.456         7.848        -0.392
RESID 880 (M):        N       119.958       119.958       112.742         7.216
RESID 880 (M):       HA         4.605         4.605         4.875        -0.270
RESID 880 (M):       CA        56.044        56.044        56.536        -0.492
RESID 880 (M):       CB        30.101        30.101        33.820        -3.719
RESID 880 (M):        H         7.627         7.627         7.660        -0.033
RESID 881 (S):        N       114.328       114.328       115.948        -1.620
RESID 881 (S):       HA         4.471         4.471         4.606        -0.135
RESID 881 (S):       CA        58.917        58.917        57.287         1.630
RESID 881 (S):       CB        64.447        64.447        63.720         0.727
RESID 881 (S):        H         7.726         7.726         8.014        -0.288
RESID 882 (F):        N       122.735       122.735       119.506         3.229
RESID 882 (F):       HA         4.722         4.722         4.449         0.273
RESID 882 (F):       CA        59.231        59.231        57.225         2.006
RESID 882 (F):       CB        40.285        40.285        39.011         1.274
RESID 882 (F):        H         7.385         7.385         7.631        -0.246
RESID 883 (S):        N       120.156       120.156       116.796         3.360
RESID 883 (S):       HA         4.299         4.299         4.545        -0.246
RESID 883 (S):       CA        57.280        57.280        57.277         0.003
RESID 883 (S):       CB        64.601        64.601        63.650         0.951
RESID 883 (S):        H         7.472         7.472         8.733        -1.261
RESID 884 (T):        N       110.683       110.683       121.948       -11.265
RESID 884 (T):       HA         3.966         3.966         4.275        -0.309
RESID 884 (T):       CA        63.465        63.465        63.327         0.138
RESID 884 (T):       CB        68.899        68.899        68.565         0.334
RESID 884 (T):        H         7.996         7.996         8.151        -0.155
RESID 885 (A):        N       125.456       125.456       122.832         2.624
RESID 885 (A):       HA         4.236         4.236         4.392        -0.156
RESID 885 (A):       CA        52.030        52.030        51.582         0.448
RESID 885 (A):       CB        19.225        19.225        18.876         0.349
RESID 885 (A):        H         7.905         7.905         7.549         0.356
RESID 886 (L):        N       120.638       120.638       116.471         4.167
RESID 886 (L):       HA         4.002         4.002         3.845         0.157
RESID 886 (L):       CA        55.462        55.462        55.803        -0.341
RESID 886 (L):       CB        42.265        42.265        40.979         1.286
RESID 886 (L):        H         8.079         8.079         7.250         0.829
RESID 887 (Y):        N       121.526       121.526       117.738         3.788
RESID 887 (Y):       HA         4.356         4.356         4.470        -0.114
RESID 887 (Y):       CA        58.750        58.750        58.067         0.683
RESID 887 (Y):       CB        38.569        38.569        38.148         0.422
RESID 887 (Y):        H         8.267         8.267         7.897         0.370
RESID 888 (G):        N       112.379       112.379       108.386         3.993
RESID 888 (G):       CA        45.090        45.090        45.217        -0.127
RESID 888 (G):        H         8.087         8.087         7.966         0.121
RESID 889 (E):        N       120.255       120.255       119.110         1.145
RESID 889 (E):       HA         4.256         4.256         4.236         0.020
RESID 889 (E):       CA        56.445        56.445        57.830        -1.385
RESID 889 (E):       CB        30.393        30.393        30.211         0.182
RESID 889 (E):        H         7.994         7.994         8.678        -0.684
RESID 890 (S):        N       116.375       116.375       112.373         4.002
RESID 890 (S):       HA         4.415         4.415         4.514        -0.099
RESID 890 (S):       CA        58.204        58.204        57.653         0.551
RESID 890 (S):       CB        63.913        63.913        65.320        -1.407
RESID 890 (S):        H         8.329         8.329         7.596         0.733
RESID 891 (D):        N       123.017       123.017       120.246         2.771
RESID 891 (D):       HA         4.610         4.610         4.517         0.093
RESID 891 (D):       CA        54.371        54.371        55.393        -1.022
RESID 891 (D):       CB        41.013        41.013        40.061         0.952
RESID 891 (D):        H         8.394         8.394         8.680        -0.286

                         N          HA           C          CA          CB           H
RESID 743 (I):       0.644       0.349       -----      -1.565       0.475       0.226
RESID 744 (S):      -0.154      -0.243       -----       0.286      -0.827       0.519
RESID 745 (Q):       0.263      -0.174       -----      -0.395      -0.135      -0.088
RESID 746 (E):      -0.350      -0.157       -----       1.506      -0.446       0.233
RESID 747 (Q):      -0.083      -0.350       -----      -0.503       0.412      -0.362
RESID 748 (M):       4.207      -0.262       -----      -1.078      -1.512       0.461
RESID 749 (N):      -1.010      -0.038       -----      -0.008      -1.269       0.757
RESID 750 (E):       3.273       0.054       -----       0.765      -0.230      -0.619
RESID 751 (F):      -2.286       0.657       -----      -1.265      -1.727       0.186
RESID 752 (R):       0.464       0.178       -----       1.381       1.239       0.992
RESID 753 (A):      -1.228      -0.285       -----       0.946      -0.024       0.274
RESID 754 (S):       0.352       0.224       -----       2.797       0.730       0.431
RESID 755 (F):       2.356      -0.470       -----       2.924       1.260       0.857
RESID 756 (N):      -0.817       0.333       -----       2.915      -1.006       1.028
RESID 757 (H):      -1.180      -0.224       -----       0.414      -0.010       0.733
RESID 758 (F):      -2.956      -0.235       -----       2.311      -1.781       0.166
RESID 759 (D):       0.092       0.064       -----      -2.809      -2.337      -0.347
RESID 760 (R):      -2.634      -0.305       -----      -0.304      -0.459      -0.504
RESID 761 (D):       0.382      -0.219       -----      -1.263      -1.428      -0.137
RESID 762 (H):      -2.377      -0.134       -----      -0.478      -2.665      -0.194
RESID 763 (S):       0.993      -0.096       -----       0.044       1.042       0.042
RESID 764 (G):       6.516       -----       -----      -0.186       -----       2.227
RESID 765 (T):      -3.811       0.158       -----      -1.782       1.419      -0.285
RESID 766 (L):       1.234       0.158       -----      -2.032      -1.554       0.485
RESID 767 (G):       2.296       -----       -----       0.420       -----       0.001
RESID 768 (P):       -----      -0.182       -----       1.117      -0.133       -----
RESID 769 (E):      -2.024      -0.089       -----       0.788      -0.414      -0.355
RESID 770 (E):       2.852       0.024       -----       0.046       1.418      -0.581
RESID 771 (F):      -4.753      -0.026       -----      -2.430      -0.571       0.193
RESID 772 (K):       0.538      -0.616       -----       2.433       1.188       0.423
RESID 773 (A):      -2.375      -0.138       -----       1.017      -1.342      -0.207
RESID 774 (C):       2.382      -0.328       -----      -0.377      -0.972      -0.107
RESID 775 (L):       0.687       0.256       -----       1.644      -0.299       0.562
RESID 776 (I):       2.794       1.879       -----       1.189       0.894       1.732
RESID 777 (S):       5.990       0.077       -----       1.629      -0.132       0.491
RESID 778 (L):       4.519       0.150       -----       0.952       0.174       0.647
RESID 779 (G):      -0.552       -----       -----       0.477       -----       0.628
RESID 780 (Y):       1.726      -0.442       -----       4.744      -0.316       0.585
RESID 781 (D):       3.434      -0.014       -----      -1.126      -0.929      -0.323
RESID 782 (I):      10.625      -0.127       -----       0.533      -4.192       0.505
RESID 783 (G):       5.837       -----       -----       0.120       -----      -0.114
RESID 784 (N):      -1.090       0.064       -----      -0.715       0.070      -0.198
RESID 785 (D):      -0.655      -0.287       -----       0.735      -3.117       0.415
RESID 786 (P):       -----      -0.050       -----       0.930      -0.262       -----
RESID 787 (Q):      -0.068       0.051       -----       0.457      -0.250      -0.100
RESID 788 (G):       5.345       -----       -----       0.652       -----       0.281
RESID 789 (E):      -0.235      -0.172       -----      -0.020       0.156      -0.051
RESID 790 (A):       0.646       0.074       -----      -0.214      -0.591       0.493
RESID 791 (E):       3.812       0.574       -----      -0.458      -0.467       0.639
RESID 792 (F):      -1.012      -0.288       -----       0.870      -0.057       0.070
RESID 793 (A):      -2.101       0.668       -----       0.295      -0.089       0.102
RESID 794 (R):       2.113      -0.065       -----       0.363      -0.119       0.644
RESID 795 (I):       0.599      -0.302       -----       0.482      -0.012       0.472
RESID 796 (M):       0.626       0.479       -----      -1.779      -1.571       0.323
RESID 797 (S):       2.101      -0.200       -----       1.668      -0.391       0.154
RESID 798 (I):       4.280      -0.325       -----       0.991       0.384      -0.196
RESID 799 (V):      -1.975       0.140       -----       1.389       1.020       0.084
RESID 800 (D):       1.769       0.279       -----       1.499       0.106       0.309
RESID 801 (P):       -----      -0.021       -----       0.702      -0.159       -----
RESID 802 (N):      -0.572       0.063       -----       0.088      -1.046       0.792
RESID 803 (R):       1.491      -0.450       -----      -0.034      -0.992      -0.244
RESID 804 (L):       6.530      -0.499       -----       2.001       1.501       2.869
RESID 805 (G):       4.177       -----       -----      -0.761       -----       2.671
RESID 806 (V):      -5.448       0.284       -----      -0.841       2.429      -0.386
RESID 807 (V):       0.606      -0.008       -----       0.241       0.830       0.309
RESID 808 (T):       0.367       0.004       -----       1.714      -0.760       0.215
RESID 809 (F):       3.629      -0.833       -----       0.453       0.609       1.220
RESID 810 (Q):       0.178      -0.623       -----       0.797      -0.438       0.693
RESID 811 (A):      -0.559      -0.160       -----       1.237       0.017       0.036
RESID 812 (F):       0.834      -0.511       -----      -0.385       1.034      -0.008
RESID 813 (I):      -0.819      -0.834       -----       0.447      -0.185       0.467
RESID 814 (D):       2.991      -0.145       -----      -0.146      -0.560       0.286
RESID 815 (F):       0.299      -0.253       -----       0.456       0.172      -0.017
RESID 816 (M):      -1.647      -0.281       -----      -1.612      -1.657       0.337
RESID 817 (S):       2.137      -0.163       -----       0.212      -0.280      -0.340
RESID 818 (R):       0.243      -0.070       -----       0.621       0.807      -0.646
RESID 819 (E):       1.311      -0.006       -----      -1.192       1.382       0.453
RESID 820 (T):       1.403       0.151       -----      -0.608       0.871       0.410
RESID 821 (A):       2.769      -0.160       -----       2.358      -1.609       0.541
RESID 822 (D):       1.448       0.231       -----       1.119      -0.734       0.210
RESID 823 (T):      -0.608      -0.420       -----       1.306      -2.774      -0.105
RESID 824 (D):       0.726       0.158       -----      -2.851       0.486      -0.617
RESID 825 (T):       4.194      -0.208       -----      -0.987       0.537      -0.293
RESID 826 (A):       0.707       0.011       -----       0.051       0.164       0.716
RESID 827 (D):      -0.400      -0.029       -----      -0.922      -0.500       0.410
RESID 828 (Q):       2.267      -0.035       -----      -0.427      -0.146       0.484
RESID 829 (V):       0.328      -0.263       -----       0.533       0.209       0.725
RESID 830 (M):       1.710       0.817       -----       0.421       0.763       0.515
RESID 831 (A):      -1.281       0.067       -----       0.194       0.048       0.410
RESID 832 (S):      -1.187       0.082       -----      -0.223      -0.239       0.087
RESID 833 (F):       1.113      -0.431       -----       0.739       0.300       0.284
RESID 834 (K):      -1.637       0.179       -----       1.005       0.405       0.115
RESID 835 (I):      -1.036       0.025       -----      -0.858      -0.018       0.151
RESID 836 (L):       2.285       0.027       -----      -0.222       0.426      -0.128
RESID 837 (A):       0.811      -0.010       -----      -0.580       0.248       0.581
RESID 838 (G):       0.653       -----       -----       0.036       -----      -0.795
RESID 839 (D):      -2.387      -0.199       -----       0.647      -1.490       0.589
RESID 840 (K):      -3.198      -0.144       -----      -0.332       0.487       0.283
RESID 841 (N):      -0.459      -0.015       -----      -1.003      -0.063      -0.395
RESID 842 (Y):      -1.644       0.225       -----      -1.048      -0.639      -0.436
RESID 843 (I):      -6.426       0.274       -----       0.554       0.174      -0.676
RESID 844 (T):      -1.749       0.169       -----      -0.444       0.456      -0.096
RESID 845 (M):      -0.869      -0.119       -----       0.005       0.984      -0.100
RESID 846 (D):      -2.174      -0.108       -----       0.835      -0.023      -0.208
RESID 847 (E):       2.333      -0.257       -----       0.867      -0.319       0.207
RESID 848 (L):      -1.547      -0.059       -----       0.954       0.753       0.366
RESID 849 (R):      -1.664      -0.503       -----       1.220       0.578       0.157
RESID 850 (R):      -0.653      -0.127       -----       0.301      -0.028       0.326
RESID 851 (E):      -2.770      -0.040       -----      -0.470       0.549      -0.162
RESID 852 (L):      -3.352      -0.127       -----       1.398       1.038      -0.157
RESID 853 (P):       -----      -0.194       -----       1.361       1.001       -----
RESID 854 (P):       -----      -0.224       -----       4.465      -0.981       -----
RESID 855 (D):      -4.157       0.074       -----      -0.275      -1.448       0.490
RESID 856 (Q):       2.881      -0.081       -----      -1.236       0.930      -1.139
RESID 857 (A):       0.802      -0.140       -----       0.496      -0.336       0.676
RESID 858 (E):      -4.677      -0.001       -----       0.225      -0.522       0.447
RESID 859 (Y):      -1.746      -0.067       -----      -0.193       0.656      -0.868
RESID 860 (C):      -1.318       0.751       -----       0.665       0.431       0.569
RESID 861 (I):       0.693      -0.246       -----       0.449       0.806       0.685
RESID 862 (A):      -4.438       0.187       -----      -1.345      -0.227      -0.828
RESID 863 (R):       1.133      -0.150       -----      -1.058       0.797      -0.236
RESID 864 (M):      -0.857       0.130       -----      -1.331       3.482      -0.293
RESID 865 (A):      -2.553      -0.785       -----      -0.802       0.058       0.257
RESID 866 (P):       -----      -0.039       -----      -0.059       1.620       -----
RESID 867 (Y):      -3.735       0.295       -----      -1.053       0.792       0.010
RESID 868 (T):       -----      -0.172       -----       0.201      -2.137       -----
RESID 869 (G):       -----       -----       -----      -0.216       -----       -----
RESID 870 (P):       -----      -0.124       -----       0.510      -0.661       -----
RESID 871 (D):      -0.614      -0.062       -----      -1.952      -2.175       0.962
RESID 872 (S):      -1.913      -0.468       -----       0.445      -1.283      -0.098
RESID 873 (V):       0.192       0.105       -----       0.507      -0.503      -1.424
RESID 874 (P):       -----      -0.085       -----       0.381       0.027       -----
RESID 875 (G):       1.731       -----       -----       0.631       -----       0.229
RESID 876 (A):      -2.281      -1.421       -----       2.563      -1.094       0.205
RESID 877 (L):       4.230      -0.501       -----       0.587      -2.311       0.343
RESID 878 (D):      -1.747       0.512       -----      -0.618      -0.589       0.989
RESID 879 (Y):       5.612       0.232       -----      -0.387      -0.833      -0.392
RESID 880 (M):       7.216      -0.270       -----      -0.492      -3.719      -0.033
RESID 881 (S):      -1.620      -0.135       -----       1.630       0.727      -0.288
RESID 882 (F):       3.229       0.273       -----       2.006       1.274      -0.246
RESID 883 (S):       3.360      -0.246       -----       0.003       0.951      -1.261
RESID 884 (T):     -11.265      -0.309       -----       0.138       0.334      -0.155
RESID 885 (A):       2.624      -0.156       -----       0.448       0.349       0.356
RESID 886 (L):       4.167       0.157       -----      -0.341       1.286       0.829
RESID 887 (Y):       3.788      -0.114       -----       0.683       0.422       0.370
RESID 888 (G):       3.993       -----       -----      -0.127       -----       0.121
RESID 889 (E):       1.145       0.020       -----      -1.385       0.182      -0.684
RESID 890 (S):       4.002      -0.099       -----       0.551      -1.407       0.733
RESID 891 (D):       2.771       0.093       -----      -1.022       0.952      -0.286

DATA CS_STAT_INFO  N  RMS:   2.951 ppm Count: 139 Average Difference: -0.461 +/- 2.925 ppm
DATA CS_STAT_INFO  HA RMS:   0.351 ppm Count: 160 Average Difference:  0.028 +/- 0.351 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   1.226 ppm Count: 150 Average Difference: -0.227 +/- 1.209 ppm
DATA CS_STAT_INFO  CB RMS:   1.133 ppm Count: 140 Average Difference:  0.149 +/- 1.127 ppm
DATA CS_STAT_INFO  HN RMS:   0.638 ppm Count: 139 Average Difference: -0.192 +/- 0.610 ppm


############################################################################
For conformer 19:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 742 (S):       HA         4.525         4.525         4.741        -0.216
RESID 742 (S):       CA        58.148        58.148        57.163         0.985
RESID 742 (S):       CB        63.791        63.791        66.490        -2.699
RESID 743 (I):        N       122.172       122.172       123.418        -1.246
RESID 743 (I):       HA         4.362         4.362         4.134         0.228
RESID 743 (I):       CA        60.421        60.421        62.215        -1.794
RESID 743 (I):       CB        39.166        39.166        38.890         0.276
RESID 743 (I):        H         8.132         8.132         8.565        -0.433
RESID 744 (S):        N       123.144       123.144       122.480         0.664
RESID 744 (S):       HA         4.449         4.449         4.570        -0.121
RESID 744 (S):       CA        57.463        57.463        57.411         0.052
RESID 744 (S):       CB        65.219        65.219        64.770         0.449
RESID 744 (S):        H         8.848         8.848         8.395         0.453
RESID 745 (Q):        N       121.619       121.619       122.010        -0.391
RESID 745 (Q):       HA         3.952         3.952         4.139        -0.187
RESID 745 (Q):       CA        58.768        58.768        59.123        -0.355
RESID 745 (Q):       CB        28.512        28.512        28.817        -0.305
RESID 745 (Q):        H         9.042         9.042         9.002         0.040
RESID 746 (E):        N       118.648       118.648       119.729        -1.081
RESID 746 (E):       HA         4.004         4.004         4.134        -0.130
RESID 746 (E):       CA        60.223        60.223        59.593         0.630
RESID 746 (E):       CB        28.854        28.854        28.928        -0.074
RESID 746 (E):        H         8.721         8.721         7.795         0.926
RESID 747 (Q):        N       120.463       120.463       119.624         0.839
RESID 747 (Q):       HA         3.766         3.766         4.385        -0.619
RESID 747 (Q):       CA        58.306        58.306        58.809        -0.503
RESID 747 (Q):       CB        28.948        28.948        28.134         0.813
RESID 747 (Q):        H         7.838         7.838         8.544        -0.706
RESID 748 (M):        N       119.252       119.252       115.399         3.853
RESID 748 (M):       HA         4.200         4.200         4.464        -0.264
RESID 748 (M):       CA        58.096        58.096        59.329        -1.233
RESID 748 (M):       CB        30.900        30.900        32.394        -1.494
RESID 748 (M):        H         8.473         8.473         8.075         0.398
RESID 749 (N):        N       117.740       117.740       118.042        -0.302
RESID 749 (N):       HA         4.474         4.474         4.559        -0.085
RESID 749 (N):       CA        55.795        55.795        55.496         0.299
RESID 749 (N):       CB        37.413        37.413        38.608        -1.195
RESID 749 (N):        H         8.334         8.334         7.643         0.691
RESID 750 (E):        N       122.848       122.848       118.404         4.444
RESID 750 (E):       HA         4.204         4.204         4.201         0.003
RESID 750 (E):       CA        59.341        59.341        58.188         1.153
RESID 750 (E):       CB        29.184        29.184        29.817        -0.633
RESID 750 (E):        H         7.838         7.838         8.480        -0.642
RESID 751 (F):        N       120.177       120.177       123.235        -3.058
RESID 751 (F):       HA         5.021         5.021         4.341         0.680
RESID 751 (F):       CA        58.353        58.353        60.105        -1.752
RESID 751 (F):       CB        37.797        37.797        39.402        -1.605
RESID 751 (F):        H         8.785         8.785         8.690         0.095
RESID 752 (R):        N       120.528       120.528       119.711         0.817
RESID 752 (R):       HA         4.160         4.160         3.996         0.164
RESID 752 (R):       CA        59.704        59.704        58.574         1.130
RESID 752 (R):       CB        29.968        29.968        28.865         1.103
RESID 752 (R):        H         9.016         9.016         8.084         0.932
RESID 753 (A):        N       121.112       121.112       122.478        -1.366
RESID 753 (A):       HA         4.245         4.245         4.513        -0.268
RESID 753 (A):       CA        55.331        55.331        54.379         0.952
RESID 753 (A):       CB        17.823        17.823        17.892        -0.069
RESID 753 (A):        H         8.100         8.100         7.975         0.125
RESID 754 (S):        N       115.589       115.589       115.082         0.507
RESID 754 (S):       HA         4.452         4.452         4.190         0.262
RESID 754 (S):       CA        62.675        62.675        59.922         2.753
RESID 754 (S):       CB        63.359        63.359        62.633         0.726
RESID 754 (S):        H         8.391         8.391         7.919         0.472
RESID 755 (F):        N       121.886       121.886       118.900         2.986
RESID 755 (F):       HA         3.642         3.642         3.853        -0.211
RESID 755 (F):       CA        61.964        61.964        59.137         2.827
RESID 755 (F):       CB        39.822        39.822        38.687         1.135
RESID 755 (F):        H         8.675         8.675         7.580         1.095
RESID 756 (N):        N       113.618       113.618       113.392         0.226
RESID 756 (N):       HA         4.427         4.427         4.332         0.095
RESID 756 (N):       CA        55.611        55.611        52.496         3.115
RESID 756 (N):       CB        37.838        37.838        38.456        -0.618
RESID 756 (N):        H         8.593         8.593         7.654         0.939
RESID 757 (H):        N       119.679       119.679       120.025        -0.346
RESID 757 (H):       HA         4.079         4.079         4.233        -0.154
RESID 757 (H):       CA        59.344        59.344        58.576         0.768
RESID 757 (H):       CB        29.889        29.889        30.491        -0.602
RESID 757 (H):        H         8.139         8.139         7.567         0.572
RESID 758 (F):        N       113.051       113.051       116.435        -3.384
RESID 758 (F):       HA         4.061         4.061         4.374        -0.313
RESID 758 (F):       CA        60.697        60.697        58.214         2.483
RESID 758 (F):       CB        38.735        38.735        40.334        -1.599
RESID 758 (F):        H         7.585         7.585         7.473         0.112
RESID 759 (D):        N       120.916       120.916       121.187        -0.271
RESID 759 (D):       HA         4.509         4.509         4.435         0.074
RESID 759 (D):       CA        52.171        52.171        54.924        -2.753
RESID 759 (D):       CB        38.009        38.009        40.617        -2.608
RESID 759 (D):        H         7.423         7.423         8.021        -0.598
RESID 760 (R):        N       124.819       124.819       125.939        -1.120
RESID 760 (R):       HA         3.768         3.768         4.062        -0.294
RESID 760 (R):       CA        58.275        58.275        58.587        -0.312
RESID 760 (R):       CB        30.249        30.249        30.583        -0.334
RESID 760 (R):        H         7.781         7.781         8.274        -0.493
RESID 761 (D):        N       113.673       113.673       113.831        -0.158
RESID 761 (D):       HA         4.483         4.483         4.601        -0.118
RESID 761 (D):       CA        51.977        51.977        53.210        -1.233
RESID 761 (D):       CB        39.522        39.522        41.326        -1.804
RESID 761 (D):        H         7.821         7.821         8.115        -0.294
RESID 762 (H):        N       114.966       114.966       113.539         1.427
RESID 762 (H):       HA         4.161         4.161         4.287        -0.126
RESID 762 (H):       CA        56.618        56.618        56.970        -0.352
RESID 762 (H):       CB        26.380        26.380        27.432        -1.052
RESID 762 (H):        H         7.744         7.744         7.845        -0.101
RESID 763 (S):        N       115.077       115.077       115.832        -0.755
RESID 763 (S):       HA         4.336         4.336         4.252         0.084
RESID 763 (S):       CA        59.860        59.860        60.141        -0.281
RESID 763 (S):       CB        65.192        65.192        63.964         1.228
RESID 763 (S):        H         8.726         8.726         8.653         0.073
RESID 764 (G):        N       116.915       116.915       110.671         6.244
RESID 764 (G):       CA        45.449        45.449        45.309         0.140
RESID 764 (G):        H        11.017        11.017         9.091         1.926
RESID 765 (T):        N       107.334       107.334       110.248        -2.914
RESID 765 (T):       HA         4.829         4.829         5.122        -0.293
RESID 765 (T):       CA        58.759        58.759        60.027        -1.268
RESID 765 (T):       CB        73.383        73.383        72.221         1.162
RESID 765 (T):        H         7.693         7.693         7.837        -0.144
RESID 766 (L):        N       124.664       124.664       124.640         0.024
RESID 766 (L):       HA         4.900         4.900         4.611         0.289
RESID 766 (L):       CA        52.339        52.339        54.004        -1.665
RESID 766 (L):       CB        42.339        42.339        42.421        -0.082
RESID 766 (L):        H         9.209         9.209         8.755         0.454
RESID 767 (G):        N       112.024       112.024       112.275        -0.251
RESID 767 (G):       CA        44.123        44.123        43.815         0.308
RESID 767 (G):        H         8.910         8.910         8.838         0.072
RESID 768 (P):       HA         4.318         4.318         4.551        -0.234
RESID 768 (P):       CA        67.127        67.127        66.237         0.890
RESID 768 (P):       CB        32.029        32.029        32.111        -0.082
RESID 769 (E):        N       115.246       115.246       118.843        -3.597
RESID 769 (E):       HA         3.971         3.971         4.038        -0.067
RESID 769 (E):       CA        59.621        59.621        58.989         0.631
RESID 769 (E):       CB        28.628        28.628        29.498        -0.870
RESID 769 (E):        H         8.622         8.622         9.004        -0.382
RESID 770 (E):        N       121.127       121.127       119.486         1.641
RESID 770 (E):       HA         4.272         4.272         4.174         0.098
RESID 770 (E):       CA        58.497        58.497        59.016        -0.519
RESID 770 (E):       CB        31.372        31.372        29.842         1.530
RESID 770 (E):        H         7.493         7.493         7.831        -0.338
RESID 771 (F):        N       117.688       117.688       122.103        -4.415
RESID 771 (F):       HA         4.355         4.355         4.259         0.096
RESID 771 (F):       CA        58.625        58.625        60.647        -2.022
RESID 771 (F):       CB        38.810        38.810        39.438        -0.628
RESID 771 (F):        H         9.110         9.110         8.919         0.191
RESID 772 (K):        N       119.789       119.789       118.501         1.288
RESID 772 (K):       HA         3.313         3.313         3.591        -0.278
RESID 772 (K):       CA        60.672        60.672        58.376         2.296
RESID 772 (K):       CB        31.979        31.979        30.759         1.220
RESID 772 (K):        H         8.594         8.594         8.093         0.501
RESID 773 (A):        N       118.461       118.461       120.474        -2.013
RESID 773 (A):       HA         3.881         3.881         4.001        -0.120
RESID 773 (A):       CA        55.013        55.013        54.072         0.941
RESID 773 (A):       CB        17.629        17.629        19.084        -1.455
RESID 773 (A):        H         7.231         7.231         7.456        -0.225
RESID 774 (C):        N       120.913       120.913       118.387         2.526
RESID 774 (C):       HA         2.435         2.435         2.887        -0.452
RESID 774 (C):       CA        61.174        61.174        61.502        -0.328
RESID 774 (C):       CB        26.215        26.215        26.591        -0.376
RESID 774 (C):        H         7.498         7.498         7.438         0.060
RESID 775 (L):        N       119.201       119.201       118.541         0.660
RESID 775 (L):       HA         3.766         3.766         3.544         0.222
RESID 775 (L):       CA        57.932        57.932        56.224         1.708
RESID 775 (L):       CB        40.950        40.950        40.970        -0.020
RESID 775 (L):        H         8.372         8.372         7.515         0.857
RESID 776 (I):        N       121.051       121.051       118.388         2.663
RESID 776 (I):       HA         4.090         4.090         2.364         1.726
RESID 776 (I):       CA        65.244        65.244        64.036         1.208
RESID 776 (I):       CB        37.991        37.991        37.239         0.752
RESID 776 (I):        H         8.358         8.358         6.685         1.673
RESID 777 (S):        N       119.109       119.109       113.719         5.390
RESID 777 (S):       HA         4.291         4.291         4.195         0.096
RESID 777 (S):       CA        61.725        61.725        60.479         1.246
RESID 777 (S):       CB        62.995        62.995        63.054        -0.059
RESID 777 (S):        H         7.822         7.822         7.318         0.504
RESID 778 (L):        N       121.208       121.208       117.348         3.860
RESID 778 (L):       HA         4.506         4.506         4.354         0.152
RESID 778 (L):       CA        54.999        54.999        54.012         0.987
RESID 778 (L):       CB        42.670        42.670        42.306         0.364
RESID 778 (L):        H         7.671         7.671         7.014         0.657
RESID 779 (G):        N       106.232       106.232       106.423        -0.191
RESID 779 (G):       CA        45.287        45.287        44.942         0.345
RESID 779 (G):        H         7.897         7.897         7.261         0.636
RESID 780 (Y):        N       120.772       120.772       119.261         1.511
RESID 780 (Y):       HA         4.142         4.142         4.588        -0.446
RESID 780 (Y):       CA        59.231        59.231        55.226         4.005
RESID 780 (Y):       CB        38.341        38.341        38.489        -0.148
RESID 780 (Y):        H         8.072         8.072         7.429         0.643
RESID 781 (D):        N       124.304       124.304       117.672         6.632
RESID 781 (D):       HA         4.665         4.665         4.710        -0.045
RESID 781 (D):       CA        53.148        53.148        53.426        -0.278
RESID 781 (D):       CB        39.804        39.804        40.414        -0.610
RESID 781 (D):        H         8.862         8.862         9.058        -0.196
RESID 782 (I):        N       122.271       122.271       113.093         9.178
RESID 782 (I):       HA         4.341         4.341         4.438        -0.097
RESID 782 (I):       CA        58.992        58.992        59.054        -0.062
RESID 782 (I):       CB        37.907        37.907        40.440        -2.533
RESID 782 (I):        H         7.344         7.344         6.924         0.420
RESID 783 (G):        N       112.322       112.322       105.995         6.327
RESID 783 (G):       CA        44.523        44.523        44.264         0.259
RESID 783 (G):        H         8.122         8.122         8.123        -0.001
RESID 784 (N):        N       118.727       118.727       116.836         1.891
RESID 784 (N):       HA         4.882         4.882         4.666         0.216
RESID 784 (N):       CA        52.098        52.098        52.922        -0.825
RESID 784 (N):       CB        37.424        37.424        38.973        -1.549
RESID 784 (N):        H         8.452         8.452         8.700        -0.248
RESID 785 (D):        N       119.826       119.826       118.932         0.894
RESID 785 (D):       HA         4.778         4.778         4.586         0.192
RESID 785 (D):       CA        52.164        52.164        53.441        -1.277
RESID 785 (D):       CB        39.657        39.657        40.844        -1.187
RESID 785 (D):        H         8.145         8.145         7.793         0.352
RESID 786 (P):       HA         4.271         4.271         4.255         0.016
RESID 786 (P):       CA        66.265        66.265        65.400         0.865
RESID 786 (P):       CB        32.011        32.011        32.174        -0.163
RESID 787 (Q):        N       118.097       118.097       118.651        -0.554
RESID 787 (Q):       HA         4.141         4.141         4.110         0.031
RESID 787 (Q):       CA        59.115        59.115        58.833         0.282
RESID 787 (Q):       CB        27.732        27.732        27.228         0.504
RESID 787 (Q):        H         8.409         8.409         8.504        -0.095
RESID 788 (G):        N       113.421       113.421       107.977         5.444
RESID 788 (G):       CA        47.317        47.317        46.678         0.639
RESID 788 (G):        H         8.644         8.644         8.414         0.230
RESID 789 (E):        N       121.223       121.223       121.392        -0.169
RESID 789 (E):       HA         4.148         4.148         4.298        -0.150
RESID 789 (E):       CA        59.344        59.344        59.456        -0.112
RESID 789 (E):       CB        29.435        29.435        29.416         0.019
RESID 789 (E):        H         8.514         8.514         8.771        -0.257
RESID 790 (A):        N       122.879       122.879       122.529         0.350
RESID 790 (A):       HA         4.247         4.247         4.183         0.065
RESID 790 (A):       CA        54.907        54.907        55.158        -0.251
RESID 790 (A):       CB        17.780        17.780        18.382        -0.602
RESID 790 (A):        H         8.024         8.024         7.556         0.468
RESID 791 (E):        N       122.622       122.622       119.011         3.611
RESID 791 (E):       HA         4.687         4.687         4.109         0.578
RESID 791 (E):       CA        58.134        58.134        58.584        -0.451
RESID 791 (E):       CB        29.061        29.061        29.480        -0.419
RESID 791 (E):        H         8.280         8.280         7.768         0.512
RESID 792 (F):        N       119.949       119.949       121.431        -1.482
RESID 792 (F):       HA         4.038         4.038         4.215        -0.177
RESID 792 (F):       CA        61.812        61.812        61.063         0.749
RESID 792 (F):       CB        38.598        38.598        38.476         0.122
RESID 792 (F):        H         8.722         8.722         8.751        -0.029
RESID 793 (A):        N       119.652       119.652       121.520        -1.868
RESID 793 (A):       HA         3.854         3.854         3.258         0.596
RESID 793 (A):       CA        54.902        54.902        54.460         0.442
RESID 793 (A):       CB        17.628        17.628        17.801        -0.173
RESID 793 (A):        H         8.163         8.163         7.862         0.301
RESID 794 (R):        N       121.092       121.092       119.338         1.754
RESID 794 (R):       HA         3.910         3.910         3.998        -0.088
RESID 794 (R):       CA        59.471        59.471        59.139         0.332
RESID 794 (R):       CB        30.092        30.092        30.075         0.017
RESID 794 (R):        H         8.034         8.034         7.653         0.381
RESID 795 (I):        N       121.394       121.394       120.645         0.749
RESID 795 (I):       HA         3.388         3.388         3.756        -0.368
RESID 795 (I):       CA        65.848        65.848        65.166         0.682
RESID 795 (I):       CB        38.209        38.209        38.260        -0.051
RESID 795 (I):        H         8.049         8.049         7.907         0.142
RESID 796 (M):        N       119.012       119.012       118.759         0.253
RESID 796 (M):       HA         4.155         4.155         3.975         0.180
RESID 796 (M):       CA        56.470        56.470        58.173        -1.703
RESID 796 (M):       CB        29.892        29.892        31.465        -1.573
RESID 796 (M):        H         8.589         8.589         8.235         0.354
RESID 797 (S):        N       114.132       114.132       112.906         1.226
RESID 797 (S):       HA         4.097         4.097         4.266        -0.169
RESID 797 (S):       CA        61.231        61.231        60.034         1.197
RESID 797 (S):       CB        62.895        62.895        63.370        -0.475
RESID 797 (S):        H         7.732         7.732         7.509         0.223
RESID 798 (I):        N       120.873       120.873       117.638         3.235
RESID 798 (I):       HA         3.818         3.818         4.101        -0.283
RESID 798 (I):       CA        63.875        63.875        63.259         0.616
RESID 798 (I):       CB        38.863        38.863        38.582         0.281
RESID 798 (I):        H         7.352         7.352         7.670        -0.318
RESID 799 (V):        N       110.552       110.552       112.354        -1.802
RESID 799 (V):       HA         4.243         4.243         4.043         0.200
RESID 799 (V):       CA        62.616        62.616        61.074         1.542
RESID 799 (V):       CB        32.416        32.416        31.170         1.246
RESID 799 (V):        H         7.648         7.648         7.780        -0.132
RESID 800 (D):        N       119.435       119.435       119.830        -0.395
RESID 800 (D):       HA         5.225         5.225         5.089         0.136
RESID 800 (D):       CA        51.715        51.715        50.068         1.647
RESID 800 (D):       CB        41.086        41.086        41.468        -0.382
RESID 800 (D):        H         8.074         8.074         7.369         0.705
RESID 801 (P):       HA         4.331         4.331         4.420        -0.089
RESID 801 (P):       CA        64.819        64.819        64.034         0.785
RESID 801 (P):       CB        31.689        31.689        31.937        -0.248
RESID 802 (N):        N       115.164       115.164       116.028        -0.864
RESID 802 (N):       HA         4.760         4.760         4.728         0.032
RESID 802 (N):       CA        52.998        52.998        52.990         0.007
RESID 802 (N):       CB        37.952        37.952        39.759        -1.807
RESID 802 (N):        H         8.949         8.949         7.659         1.290
RESID 803 (R):        N       117.446       117.446       116.109         1.337
RESID 803 (R):       HA         3.830         3.830         4.061        -0.231
RESID 803 (R):       CA        56.888        56.888        57.132        -0.244
RESID 803 (R):       CB        26.354        26.354        27.210        -0.856
RESID 803 (R):        H         7.958         7.958         7.995        -0.037
RESID 804 (L):        N       123.307       123.307       114.992         8.315
RESID 804 (L):       HA         4.156         4.156         4.700        -0.544
RESID 804 (L):       CA        56.373        56.373        54.663         1.710
RESID 804 (L):       CB        42.930        42.930        42.118         0.812
RESID 804 (L):        H        10.591        10.591         8.306         2.285
RESID 805 (G):        N       110.516       110.516       107.837         2.679
RESID 805 (G):       CA        44.944        44.944        45.792        -0.848
RESID 805 (G):        H        11.001        11.001         8.859         2.142
RESID 806 (V):        N       109.840       109.840       115.567        -5.727
RESID 806 (V):       HA         4.571         4.571         4.371         0.200
RESID 806 (V):       CA        58.566        58.566        60.351        -1.785
RESID 806 (V):       CB        36.853        36.853        35.065         1.788
RESID 806 (V):        H         6.831         6.831         7.090        -0.259
RESID 807 (V):        N       122.184       122.184       122.684        -0.500
RESID 807 (V):       HA         4.167         4.167         4.303        -0.136
RESID 807 (V):       CA        61.644        61.644        60.465         1.179
RESID 807 (V):       CB        32.383        32.383        32.300         0.083
RESID 807 (V):        H         9.007         9.007         8.842         0.165
RESID 808 (T):        N       117.391       117.391       118.420        -1.029
RESID 808 (T):       HA         4.593         4.593         4.595        -0.002
RESID 808 (T):       CA        60.615        60.615        58.944         1.671
RESID 808 (T):       CB        70.695        70.695        71.312        -0.617
RESID 808 (T):        H         7.925         7.925         7.804         0.121
RESID 809 (F):        N       122.236       122.236       119.120         3.116
RESID 809 (F):       HA         3.640         3.640         4.479        -0.839
RESID 809 (F):       CA        61.749        61.749        61.358         0.391
RESID 809 (F):       CB        38.177        38.177        37.486         0.691
RESID 809 (F):        H         9.349         9.349         8.099         1.250
RESID 810 (Q):        N       116.788       116.788       117.139        -0.351
RESID 810 (Q):       HA         3.598         3.598         4.210        -0.612
RESID 810 (Q):       CA        58.582        58.582        58.064         0.518
RESID 810 (Q):       CB        28.199        28.199        28.481        -0.282
RESID 810 (Q):        H         8.572         8.572         7.934         0.638
RESID 811 (A):        N       121.208       121.208       122.137        -0.929
RESID 811 (A):       HA         4.119         4.119         4.183        -0.064
RESID 811 (A):       CA        54.911        54.911        53.824         1.087
RESID 811 (A):       CB        19.265        19.265        18.725         0.540
RESID 811 (A):        H         7.667         7.667         7.676        -0.009
RESID 812 (F):        N       119.805       119.805       118.765         1.040
RESID 812 (F):       HA         3.980         3.980         4.415        -0.435
RESID 812 (F):       CA        61.740        61.740        62.080        -0.339
RESID 812 (F):       CB        39.670        39.670        38.786         0.884
RESID 812 (F):        H         8.400         8.400         8.333         0.067
RESID 813 (I):        N       118.098       118.098       118.488        -0.390
RESID 813 (I):       HA         3.146         3.146         3.976        -0.830
RESID 813 (I):       CA        63.299        63.299        62.632         0.667
RESID 813 (I):       CB        36.202        36.202        36.303        -0.101
RESID 813 (I):        H         8.364         8.364         7.872         0.492
RESID 814 (D):        N       123.528       123.528       120.729         2.799
RESID 814 (D):       HA         4.196         4.196         4.315        -0.119
RESID 814 (D):       CA        57.680        57.680        57.890        -0.210
RESID 814 (D):       CB        40.236        40.236        40.814        -0.578
RESID 814 (D):        H         8.221         8.221         7.882         0.339
RESID 815 (F):        N       120.584       120.584       120.202         0.382
RESID 815 (F):       HA         4.129         4.129         4.415        -0.286
RESID 815 (F):       CA        61.084        61.084        60.551         0.533
RESID 815 (F):       CB        39.698        39.698        39.593         0.105
RESID 815 (F):        H         7.887         7.887         7.853         0.034
RESID 816 (M):        N       116.960       116.960       118.178        -1.218
RESID 816 (M):       HA         3.782         3.782         4.056        -0.274
RESID 816 (M):       CA        55.662        55.662        57.112        -1.450
RESID 816 (M):       CB        30.033        30.033        31.642        -1.609
RESID 816 (M):        H         8.372         8.372         8.039         0.333
RESID 817 (S):        N       114.277       114.277       112.220         2.057
RESID 817 (S):       HA         4.194         4.194         4.386        -0.192
RESID 817 (S):       CA        60.521        60.521        59.806         0.715
RESID 817 (S):       CB        63.185        63.185        63.535        -0.350
RESID 817 (S):        H         8.074         8.074         8.208        -0.134
RESID 818 (R):        N       121.493       121.493       121.389         0.104
RESID 818 (R):       HA         4.124         4.124         4.071         0.053
RESID 818 (R):       CA        57.684        57.684        58.654        -0.970
RESID 818 (R):       CB        30.315        30.315        29.587         0.728
RESID 818 (R):        H         7.288         7.288         7.936        -0.648
RESID 819 (E):        N       119.737       119.737       118.789         0.948
RESID 819 (E):       HA         4.101         4.101         4.089         0.012
RESID 819 (E):       CA        57.066        57.066        58.834        -1.768
RESID 819 (E):       CB        30.491        30.491        29.197         1.294
RESID 819 (E):        H         8.045         8.045         7.693         0.352
RESID 820 (T):        N       112.128       112.128       108.185         3.943
RESID 820 (T):       HA         4.280         4.280         3.757         0.523
RESID 820 (T):       CA        62.055        62.055        62.516        -0.461
RESID 820 (T):       CB        69.828        69.828        68.927         0.901
RESID 820 (T):        H         7.760         7.760         7.324         0.436
RESID 821 (A):        N       126.098       126.098       122.950         3.148
RESID 821 (A):       HA         4.284         4.284         4.397        -0.113
RESID 821 (A):       CA        52.726        52.726        51.000         1.726
RESID 821 (A):       CB        19.304        19.304        20.425        -1.121
RESID 821 (A):        H         7.957         7.957         7.356         0.601
RESID 822 (D):        N       119.904       119.904       120.234        -0.330
RESID 822 (D):       HA         4.613         4.613         4.639        -0.026
RESID 822 (D):       CA        54.335        54.335        54.910        -0.575
RESID 822 (D):       CB        41.032        41.032        41.421        -0.389
RESID 822 (D):        H         8.352         8.352         8.411        -0.059
RESID 823 (T):        N       114.142       114.142       117.193        -3.051
RESID 823 (T):       HA         4.278         4.278         4.596        -0.318
RESID 823 (T):       CA        62.117        62.117        60.537         1.580
RESID 823 (T):       CB        69.584        69.584        71.246        -1.662
RESID 823 (T):        H         8.079         8.079         7.848         0.231
RESID 824 (D):        N       123.261       123.261       121.373         1.888
RESID 824 (D):       HA         4.657         4.657         4.536         0.121
RESID 824 (D):       CA        54.786        54.786        56.588        -1.802
RESID 824 (D):       CB        41.085        41.085        41.279        -0.194
RESID 824 (D):        H         8.431         8.431         8.788        -0.357
RESID 825 (T):        N       114.932       114.932       112.953         1.979
RESID 825 (T):       HA         4.161         4.161         4.123         0.038
RESID 825 (T):       CA        63.109        63.109        65.038        -1.929
RESID 825 (T):       CB        69.455        69.455        68.662         0.793
RESID 825 (T):        H         8.155         8.155         8.607        -0.452
RESID 826 (A):        N       124.961       124.961       124.833         0.128
RESID 826 (A):       HA         4.160         4.160         4.021         0.139
RESID 826 (A):       CA        54.392        54.392        54.339         0.053
RESID 826 (A):       CB        18.610        18.610        18.036         0.574
RESID 826 (A):        H         8.379         8.379         8.174         0.205
RESID 827 (D):        N       117.765       117.765       117.671         0.094
RESID 827 (D):       HA         4.425         4.425         4.333         0.092
RESID 827 (D):       CA        56.051        56.051        57.003        -0.952
RESID 827 (D):       CB        40.559        40.559        41.037        -0.478
RESID 827 (D):        H         8.250         8.250         7.797         0.453
RESID 828 (Q):        N       120.523       120.523       117.931         2.592
RESID 828 (Q):       HA         4.091         4.091         4.124        -0.033
RESID 828 (Q):       CA        57.814        57.814        58.025        -0.211
RESID 828 (Q):       CB        28.549        28.549        28.993        -0.444
RESID 828 (Q):        H         8.076         8.076         7.794         0.282
RESID 829 (V):        N       120.970       120.970       118.763         2.207
RESID 829 (V):       HA         3.525         3.525         3.905        -0.380
RESID 829 (V):       CA        65.194        65.194        63.939         1.255
RESID 829 (V):       CB        31.541        31.541        32.380        -0.839
RESID 829 (V):        H         8.051         8.051         7.371         0.680
RESID 830 (M):        N       119.572       119.572       118.119         1.453
RESID 830 (M):       HA         4.006         4.006         3.675         0.331
RESID 830 (M):       CA        57.977        57.977        56.860         1.117
RESID 830 (M):       CB        31.995        31.995        30.682         1.313
RESID 830 (M):        H         8.110         8.110         8.213        -0.103
RESID 831 (A):        N       121.059       121.059       122.724        -1.665
RESID 831 (A):       HA         4.045         4.045         3.913         0.132
RESID 831 (A):       CA        54.501        54.501        54.043         0.458
RESID 831 (A):       CB        18.067        18.067        17.661         0.406
RESID 831 (A):        H         7.836         7.836         7.956        -0.120
RESID 832 (S):        N       114.256       114.256       115.662        -1.406
RESID 832 (S):       HA         4.141         4.141         4.016         0.125
RESID 832 (S):       CA        60.845        60.845        61.063        -0.218
RESID 832 (S):       CB        62.613        62.613        62.817        -0.204
RESID 832 (S):        H         7.714         7.714         7.656         0.058
RESID 833 (F):        N       121.847       121.847       120.893         0.954
RESID 833 (F):       HA         3.823         3.823         4.181        -0.358
RESID 833 (F):       CA        58.627        58.627        58.516         0.111
RESID 833 (F):       CB        38.127        38.127        37.620         0.507
RESID 833 (F):        H         7.740         7.740         7.490         0.250
RESID 834 (K):        N       118.759       118.759       119.926        -1.167
RESID 834 (K):       HA         3.589         3.589         3.522         0.067
RESID 834 (K):       CA        59.384        59.384        58.332         1.052
RESID 834 (K):       CB        32.143        32.143        31.806         0.337
RESID 834 (K):        H         7.843         7.843         7.800         0.043
RESID 835 (I):        N       118.537       118.537       119.819        -1.282
RESID 835 (I):       HA         3.736         3.736         3.771        -0.035
RESID 835 (I):       CA        63.714        63.714        64.480        -0.766
RESID 835 (I):       CB        37.825        37.825        38.016        -0.191
RESID 835 (I):        H         7.315         7.315         7.266         0.049
RESID 836 (L):        N       121.201       121.201       119.903         1.298
RESID 836 (L):       HA         3.955         3.955         3.820         0.135
RESID 836 (L):       CA        57.074        57.074        57.355        -0.281
RESID 836 (L):       CB        42.415        42.415        42.151         0.264
RESID 836 (L):        H         7.625         7.625         8.152        -0.527
RESID 837 (A):        N       119.184       119.184       117.935         1.249
RESID 837 (A):       HA         3.895         3.895         3.935        -0.040
RESID 837 (A):       CA        53.301        53.301        54.012        -0.711
RESID 837 (A):       CB        19.338        19.338        18.991         0.347
RESID 837 (A):        H         8.099         8.099         7.655         0.444
RESID 838 (G):        N       107.030       107.030       106.556         0.474
RESID 838 (G):       CA        46.918        46.918        46.773         0.145
RESID 838 (G):        H         7.676         7.676         8.360        -0.684
RESID 839 (D):        N       122.291       122.291       124.621        -2.330
RESID 839 (D):       HA         4.477         4.477         4.781        -0.304
RESID 839 (D):       CA        54.511        54.511        54.091         0.420
RESID 839 (D):       CB        40.181        40.181        42.257        -2.076
RESID 839 (D):        H         8.704         8.704         8.158         0.546
RESID 840 (K):        N       117.582       117.582       120.885        -3.303
RESID 840 (K):       HA         4.301         4.301         4.365        -0.064
RESID 840 (K):       CA        55.780        55.780        56.087        -0.307
RESID 840 (K):       CB        33.710        33.710        32.964         0.746
RESID 840 (K):        H         7.583         7.583         7.334         0.249
RESID 841 (N):        N       116.678       116.678       115.582         1.096
RESID 841 (N):       HA         4.611         4.611         4.613        -0.002
RESID 841 (N):       CA        53.466        53.466        53.924        -0.458
RESID 841 (N):       CB        39.155        39.155        39.046         0.109
RESID 841 (N):        H         8.693         8.693         8.972        -0.279
RESID 842 (Y):        N       112.236       112.236       114.149        -1.913
RESID 842 (Y):       HA         4.986         4.986         4.719         0.267
RESID 842 (Y):       CA        54.918        54.918        55.972        -1.054
RESID 842 (Y):       CB        40.595        40.595        40.624        -0.029
RESID 842 (Y):        H         6.637         6.637         7.299        -0.662
RESID 843 (I):        N       115.475       115.475       120.863        -5.388
RESID 843 (I):       HA         4.792         4.792         4.618         0.174
RESID 843 (I):       CA        58.957        58.957        58.232         0.725
RESID 843 (I):       CB        43.009        43.009        42.919         0.090
RESID 843 (I):        H         8.630         8.630         9.188        -0.558
RESID 844 (T):        N       117.169       117.169       118.395        -1.226
RESID 844 (T):       HA         5.370         5.370         5.187         0.183
RESID 844 (T):       CA        60.177        60.177        60.620        -0.443
RESID 844 (T):       CB        71.088        71.088        70.637         0.451
RESID 844 (T):        H         9.330         9.330         9.318         0.012
RESID 845 (M):        N       119.860       119.860       120.100        -0.240
RESID 845 (M):       HA         3.824         3.824         3.983        -0.159
RESID 845 (M):       CA        60.321        60.321        60.407        -0.086
RESID 845 (M):       CB        33.030        33.030        32.165         0.865
RESID 845 (M):        H         8.556         8.556         8.749        -0.193
RESID 846 (D):        N       116.363       116.363       117.899        -1.536
RESID 846 (D):       HA         4.280         4.280         4.485        -0.205
RESID 846 (D):       CA        57.404        57.404        56.547         0.857
RESID 846 (D):       CB        40.584        40.584        40.551         0.033
RESID 846 (D):        H         8.377         8.377         8.715        -0.338
RESID 847 (E):        N       120.577       120.577       119.301         1.276
RESID 847 (E):       HA         3.854         3.854         4.129        -0.275
RESID 847 (E):       CA        59.657        59.657        58.808         0.849
RESID 847 (E):       CB        29.660        29.660        29.964        -0.304
RESID 847 (E):        H         7.855         7.855         7.632         0.223
RESID 848 (L):        N       118.714       118.714       119.757        -1.043
RESID 848 (L):       HA         3.822         3.822         4.033        -0.211
RESID 848 (L):       CA        58.725        58.725        57.721         1.004
RESID 848 (L):       CB        42.457        42.457        42.068         0.389
RESID 848 (L):        H         7.849         7.849         7.537         0.312
RESID 849 (R):        N       113.972       113.972       114.654        -0.682
RESID 849 (R):       HA         3.924         3.924         4.429        -0.505
RESID 849 (R):       CA        58.595        58.595        56.944         1.651
RESID 849 (R):       CB        30.100        30.100        29.134         0.966
RESID 849 (R):        H         8.053         8.053         7.894         0.159
RESID 850 (R):        N       118.178       118.178       117.639         0.539
RESID 850 (R):       HA         4.193         4.193         4.443        -0.250
RESID 850 (R):       CA        58.245        58.245        57.370         0.875
RESID 850 (R):       CB        31.120        31.120        31.459        -0.338
RESID 850 (R):        H         7.743         7.743         7.956        -0.213
RESID 851 (E):        N       115.518       115.518       119.739        -4.221
RESID 851 (E):       HA         4.350         4.350         4.371        -0.021
RESID 851 (E):       CA        56.886        56.886        57.362        -0.476
RESID 851 (E):       CB        31.590        31.590        31.573         0.017
RESID 851 (E):        H         7.596         7.596         7.758        -0.162
RESID 852 (L):        N       119.148       119.148       121.508        -2.360
RESID 852 (L):       HA         4.894         4.894         5.089        -0.195
RESID 852 (L):       CA        52.174        52.174        51.507         0.667
RESID 852 (L):       CB        42.469        42.469        42.084         0.385
RESID 852 (L):        H         7.890         7.890         7.992        -0.102
RESID 853 (P):       HA         4.347         4.347         4.478        -0.131
RESID 853 (P):       CA        65.119        65.119        63.933         1.186
RESID 853 (P):       CB        31.631        31.631        30.239         1.392
RESID 854 (P):       HA         4.270         4.270         4.436        -0.166
RESID 854 (P):       CA        66.336        66.336        62.133         4.203
RESID 854 (P):       CB        32.256        32.256        33.031        -0.775
RESID 855 (D):        N       114.865       114.865       118.961        -4.096
RESID 855 (D):       HA         4.349         4.349         4.454        -0.105
RESID 855 (D):       CA        56.913        56.913        55.838         1.075
RESID 855 (D):       CB        39.244        39.244        40.005        -0.761
RESID 855 (D):        H         8.801         8.801         8.324         0.477
RESID 856 (Q):        N       121.465       121.465       118.949         2.516
RESID 856 (Q):       HA         4.199         4.199         4.329        -0.130
RESID 856 (Q):       CA        58.317        58.317        58.965        -0.648
RESID 856 (Q):       CB        29.247        29.247        28.172         1.075
RESID 856 (Q):        H         7.472         7.472         8.450        -0.978
RESID 857 (A):        N       122.805       122.805       121.916         0.889
RESID 857 (A):       HA         3.799         3.799         3.964        -0.165
RESID 857 (A):       CA        56.303        56.303        55.631         0.672
RESID 857 (A):       CB        17.944        17.944        18.186        -0.242
RESID 857 (A):        H         8.882         8.882         8.069         0.813
RESID 858 (E):        N       114.094       114.094       118.786        -4.692
RESID 858 (E):       HA         4.024         4.024         3.901         0.123
RESID 858 (E):       CA        58.682        58.682        58.789        -0.107
RESID 858 (E):       CB        28.639        28.639        29.019        -0.380
RESID 858 (E):        H         8.155         8.155         8.216        -0.061
RESID 859 (Y):        N       120.665       120.665       121.926        -1.261
RESID 859 (Y):       HA         4.084         4.084         4.113        -0.029
RESID 859 (Y):       CA        61.006        61.006        60.803         0.203
RESID 859 (Y):       CB        38.687        38.687        38.142         0.545
RESID 859 (Y):        H         7.708         7.708         8.057        -0.349
RESID 860 (C):        N       115.812       115.812       117.916        -2.104
RESID 860 (C):       HA         4.158         4.158         3.330         0.828
RESID 860 (C):       CA        64.254        64.254        63.924         0.330
RESID 860 (C):       CB        27.304        27.304        27.008         0.297
RESID 860 (C):        H         8.113         8.113         7.568         0.545
RESID 861 (I):        N       120.078       120.078       119.832         0.246
RESID 861 (I):       HA         3.339         3.339         3.566        -0.227
RESID 861 (I):       CA        65.643        65.643        65.255         0.388
RESID 861 (I):       CB        38.714        38.714        37.601         1.113
RESID 861 (I):        H         8.453         8.453         8.075         0.378
RESID 862 (A):        N       116.691       116.691       122.775        -6.084
RESID 862 (A):       HA         4.209         4.209         3.960         0.249
RESID 862 (A):       CA        53.222        53.222        54.726        -1.504
RESID 862 (A):       CB        19.002        19.002        18.347         0.655
RESID 862 (A):        H         7.307         7.307         8.093        -0.786
RESID 863 (R):        N       117.226       117.226       115.275         1.951
RESID 863 (R):       HA         4.274         4.274         4.471        -0.197
RESID 863 (R):       CA        56.051        56.051        56.565        -0.514
RESID 863 (R):       CB        31.389        31.389        30.641         0.748
RESID 863 (R):        H         7.358         7.358         7.557        -0.199
RESID 864 (M):        N       117.583       117.583       118.315        -0.732
RESID 864 (M):       HA         4.561         4.561         4.421         0.140
RESID 864 (M):       CA        54.927        54.927        55.904        -0.977
RESID 864 (M):       CB        37.418        37.418        34.183         3.235
RESID 864 (M):        H         7.153         7.153         7.222        -0.069
RESID 865 (A):        N       124.643       124.643       126.727        -2.084
RESID 865 (A):       HA         3.866         3.866         4.710        -0.844
RESID 865 (A):       CA        49.194        49.194        49.982        -0.788
RESID 865 (A):       CB        18.647        18.647        18.489         0.158
RESID 865 (A):        H         8.557         8.557         8.245         0.312
RESID 866 (P):       HA         4.496         4.496         4.549        -0.053
RESID 866 (P):       CA        62.724        62.724        62.791        -0.067
RESID 866 (P):       CB        31.980        31.980        30.356         1.624
RESID 867 (Y):        N       122.461       122.461       126.517        -4.056
RESID 867 (Y):       HA         4.728         4.728         4.442         0.286
RESID 867 (Y):       CA        57.096        57.096        57.828        -0.732
RESID 867 (Y):       CB        39.175        39.175        38.632         0.543
RESID 867 (Y):        H         8.128         8.128         8.233        -0.105
RESID 868 (T):       HA         4.351         4.351         4.484        -0.133
RESID 868 (T):       CA        60.271        60.271        60.328        -0.056
RESID 868 (T):       CB        68.737        68.737        71.545        -2.808
RESID 869 (G):       CA        44.914        44.914        45.174        -0.260
RESID 870 (P):       HA         4.329         4.329         4.437        -0.108
RESID 870 (P):       CA        64.697        64.697        64.143         0.554
RESID 870 (P):       CB        31.579        31.579        32.278        -0.699
RESID 871 (D):        N       116.207       116.207       118.765        -2.558
RESID 871 (D):       HA         4.604         4.604         4.705        -0.101
RESID 871 (D):       CA        52.749        52.749        54.172        -1.423
RESID 871 (D):       CB        38.929        38.929        41.061        -2.132
RESID 871 (D):        H         9.267         9.267         8.595         0.672
RESID 872 (S):        N       112.349       112.349       115.555        -3.206
RESID 872 (S):       HA         3.497         3.497         4.269        -0.772
RESID 872 (S):       CA        59.065        59.065        58.398         0.667
RESID 872 (S):       CB        63.125        63.125        64.105        -0.980
RESID 872 (S):        H         7.487         7.487         7.467         0.020
RESID 873 (V):        N       113.567       113.567       114.500        -0.933
RESID 873 (V):       HA         4.729         4.729         4.596         0.133
RESID 873 (V):       CA        58.044        58.044        58.131        -0.087
RESID 873 (V):       CB        32.911        32.911        32.260         0.651
RESID 873 (V):        H         6.411         6.411         7.957        -1.546
RESID 874 (P):       HA         4.296         4.296         4.475        -0.179
RESID 874 (P):       CA        64.335        64.335        63.185         1.150
RESID 874 (P):       CB        31.515        31.515        29.896         1.619
RESID 875 (G):        N       112.118       112.118       108.125         3.993
RESID 875 (G):       CA        45.557        45.557        45.924        -0.367
RESID 875 (G):        H         8.800         8.800         8.563         0.237
RESID 876 (A):        N       120.262       120.262       123.773        -3.511
RESID 876 (A):       HA         4.100         4.100         5.524        -1.424
RESID 876 (A):       CA        53.073        53.073        50.375         2.698
RESID 876 (A):       CB        20.508        20.508        21.743        -1.235
RESID 876 (A):        H         7.762         7.762         7.750         0.012
RESID 877 (L):        N       125.695       125.695       121.776         3.919
RESID 877 (L):       HA         4.776         4.776         5.273        -0.497
RESID 877 (L):       CA        54.269        54.269        53.745         0.525
RESID 877 (L):       CB        44.799        44.799        47.080        -2.281
RESID 877 (L):        H         9.595         9.595         9.318         0.277
RESID 878 (D):        N       119.823       119.823       121.745        -1.922
RESID 878 (D):       HA         4.879         4.879         4.485         0.394
RESID 878 (D):       CA        51.997        51.997        52.474        -0.477
RESID 878 (D):       CB        40.781        40.781        41.581        -0.800
RESID 878 (D):        H         9.031         9.031         8.150         0.881
RESID 879 (Y):        N       126.556       126.556       123.879         2.677
RESID 879 (Y):       HA         4.591         4.591         4.334         0.257
RESID 879 (Y):       CA        59.396        59.396        60.054        -0.658
RESID 879 (Y):       CB        37.321        37.321        37.747        -0.426
RESID 879 (Y):        H         7.456         7.456         8.033        -0.577
RESID 880 (M):        N       119.958       119.958       113.414         6.544
RESID 880 (M):       HA         4.605         4.605         4.863        -0.258
RESID 880 (M):       CA        56.044        56.044        57.132        -1.088
RESID 880 (M):       CB        30.101        30.101        33.373        -3.272
RESID 880 (M):        H         7.627         7.627         7.530         0.097
RESID 881 (S):        N       114.328       114.328       116.035        -1.707
RESID 881 (S):       HA         4.471         4.471         4.611        -0.140
RESID 881 (S):       CA        58.917        58.917        57.394         1.523
RESID 881 (S):       CB        64.447        64.447        63.601         0.846
RESID 881 (S):        H         7.726         7.726         8.214        -0.488
RESID 882 (F):        N       122.735       122.735       119.445         3.290
RESID 882 (F):       HA         4.722         4.722         4.413         0.309
RESID 882 (F):       CA        59.231        59.231        57.416         1.815
RESID 882 (F):       CB        40.285        40.285        39.204         1.081
RESID 882 (F):        H         7.385         7.385         7.427        -0.042
RESID 883 (S):        N       120.156       120.156       116.499         3.657
RESID 883 (S):       HA         4.299         4.299         4.346        -0.047
RESID 883 (S):       CA        57.280        57.280        58.196        -0.916
RESID 883 (S):       CB        64.601        64.601        64.196         0.405
RESID 883 (S):        H         7.472         7.472         8.378        -0.906
RESID 884 (T):        N       110.683       110.683       118.055        -7.372
RESID 884 (T):       HA         3.966         3.966         4.170        -0.204
RESID 884 (T):       CA        63.465        63.465        62.693         0.772
RESID 884 (T):       CB        68.899        68.899        68.742         0.157
RESID 884 (T):        H         7.996         7.996         8.130        -0.134
RESID 885 (A):        N       125.456       125.456       125.139         0.317
RESID 885 (A):       HA         4.236         4.236         4.576        -0.340
RESID 885 (A):       CA        52.030        52.030        51.092         0.938
RESID 885 (A):       CB        19.225        19.225        19.933        -0.708
RESID 885 (A):        H         7.905         7.905         7.380         0.525
RESID 886 (L):        N       120.638       120.638       124.349        -3.711
RESID 886 (L):       HA         4.002         4.002         4.307        -0.305
RESID 886 (L):       CA        55.462        55.462        54.946         0.516
RESID 886 (L):       CB        42.265        42.265        42.818        -0.553
RESID 886 (L):        H         8.079         8.079         8.595        -0.516
RESID 887 (Y):        N       121.526       121.526       120.541         0.985
RESID 887 (Y):       HA         4.356         4.356         4.425        -0.069
RESID 887 (Y):       CA        58.750        58.750        57.611         1.139
RESID 887 (Y):       CB        38.569        38.569        35.816         2.753
RESID 887 (Y):        H         8.267         8.267         8.620        -0.353
RESID 888 (G):        N       112.379       112.379       107.826         4.553
RESID 888 (G):       CA        45.090        45.090        45.035         0.055
RESID 888 (G):        H         8.087         8.087         8.036         0.051
RESID 889 (E):        N       120.255       120.255       118.686         1.569
RESID 889 (E):       HA         4.256         4.256         4.031         0.225
RESID 889 (E):       CA        56.445        56.445        57.323        -0.878
RESID 889 (E):       CB        30.393        30.393        28.970         1.423
RESID 889 (E):        H         7.994         7.994         7.991         0.003
RESID 890 (S):        N       116.375       116.375       114.360         2.015
RESID 890 (S):       HA         4.415         4.415         4.709        -0.294
RESID 890 (S):       CA        58.204        58.204        57.606         0.598
RESID 890 (S):       CB        63.913        63.913        65.233        -1.320
RESID 890 (S):        H         8.329         8.329         7.994         0.335
RESID 891 (D):        N       123.017       123.017       119.886         3.131
RESID 891 (D):       HA         4.610         4.610         4.784        -0.174
RESID 891 (D):       CA        54.371        54.371        55.405        -1.034
RESID 891 (D):       CB        41.013        41.013        41.154        -0.141
RESID 891 (D):        H         8.394         8.394         8.572        -0.178

                         N          HA           C          CA          CB           H
RESID 743 (I):      -1.246       0.228       -----      -1.794       0.276      -0.433
RESID 744 (S):       0.664      -0.121       -----       0.052       0.449       0.453
RESID 745 (Q):      -0.391      -0.187       -----      -0.355      -0.305       0.040
RESID 746 (E):      -1.081      -0.130       -----       0.630      -0.074       0.926
RESID 747 (Q):       0.839      -0.619       -----      -0.503       0.813      -0.706
RESID 748 (M):       3.853      -0.264       -----      -1.233      -1.494       0.398
RESID 749 (N):      -0.302      -0.085       -----       0.299      -1.195       0.691
RESID 750 (E):       4.444       0.003       -----       1.153      -0.633      -0.642
RESID 751 (F):      -3.058       0.680       -----      -1.752      -1.605       0.095
RESID 752 (R):       0.817       0.164       -----       1.130       1.103       0.932
RESID 753 (A):      -1.366      -0.268       -----       0.952      -0.069       0.125
RESID 754 (S):       0.507       0.262       -----       2.753       0.726       0.472
RESID 755 (F):       2.986      -0.211       -----       2.827       1.135       1.095
RESID 756 (N):       0.226       0.095       -----       3.115      -0.618       0.939
RESID 757 (H):      -0.346      -0.154       -----       0.768      -0.602       0.572
RESID 758 (F):      -3.384      -0.313       -----       2.483      -1.599       0.112
RESID 759 (D):      -0.271       0.074       -----      -2.753      -2.608      -0.598
RESID 760 (R):      -1.120      -0.294       -----      -0.312      -0.334      -0.493
RESID 761 (D):      -0.158      -0.118       -----      -1.233      -1.804      -0.294
RESID 762 (H):       1.427      -0.126       -----      -0.352      -1.052      -0.101
RESID 763 (S):      -0.755       0.084       -----      -0.281       1.228       0.073
RESID 764 (G):       6.244       -----       -----       0.140       -----       1.926
RESID 765 (T):      -2.914      -0.293       -----      -1.268       1.162      -0.144
RESID 766 (L):       0.024       0.289       -----      -1.665      -0.082       0.454
RESID 767 (G):      -0.251       -----       -----       0.308       -----       0.072
RESID 768 (P):       -----      -0.234       -----       0.890      -0.082       -----
RESID 769 (E):      -3.597      -0.067       -----       0.631      -0.870      -0.382
RESID 770 (E):       1.641       0.098       -----      -0.519       1.530      -0.338
RESID 771 (F):      -4.415       0.096       -----      -2.022      -0.628       0.191
RESID 772 (K):       1.288      -0.278       -----       2.296       1.220       0.501
RESID 773 (A):      -2.013      -0.120       -----       0.941      -1.455      -0.225
RESID 774 (C):       2.526      -0.452       -----      -0.328      -0.376       0.060
RESID 775 (L):       0.660       0.222       -----       1.708      -0.020       0.857
RESID 776 (I):       2.663       1.726       -----       1.208       0.752       1.673
RESID 777 (S):       5.390       0.096       -----       1.246      -0.059       0.504
RESID 778 (L):       3.860       0.152       -----       0.987       0.364       0.657
RESID 779 (G):      -0.191       -----       -----       0.345       -----       0.636
RESID 780 (Y):       1.511      -0.446       -----       4.005      -0.148       0.643
RESID 781 (D):       6.632      -0.045       -----      -0.278      -0.610      -0.196
RESID 782 (I):       9.178      -0.097       -----      -0.062      -2.533       0.420
RESID 783 (G):       6.327       -----       -----       0.259       -----      -0.001
RESID 784 (N):       1.891       0.216       -----      -0.825      -1.549      -0.248
RESID 785 (D):       0.894       0.192       -----      -1.277      -1.187       0.352
RESID 786 (P):       -----       0.016       -----       0.865      -0.163       -----
RESID 787 (Q):      -0.554       0.031       -----       0.282       0.504      -0.095
RESID 788 (G):       5.444       -----       -----       0.639       -----       0.230
RESID 789 (E):      -0.169      -0.150       -----      -0.112       0.019      -0.257
RESID 790 (A):       0.350       0.065       -----      -0.251      -0.602       0.468
RESID 791 (E):       3.611       0.578       -----      -0.451      -0.419       0.512
RESID 792 (F):      -1.482      -0.177       -----       0.749       0.122      -0.029
RESID 793 (A):      -1.868       0.596       -----       0.442      -0.173       0.301
RESID 794 (R):       1.754      -0.088       -----       0.332       0.017       0.381
RESID 795 (I):       0.749      -0.368       -----       0.682      -0.051       0.142
RESID 796 (M):       0.253       0.180       -----      -1.703      -1.573       0.354
RESID 797 (S):       1.226      -0.169       -----       1.197      -0.475       0.223
RESID 798 (I):       3.235      -0.283       -----       0.616       0.281      -0.318
RESID 799 (V):      -1.802       0.200       -----       1.542       1.246      -0.132
RESID 800 (D):      -0.395       0.136       -----       1.647      -0.382       0.705
RESID 801 (P):       -----      -0.089       -----       0.785      -0.248       -----
RESID 802 (N):      -0.864       0.032       -----       0.007      -1.807       1.290
RESID 803 (R):       1.337      -0.231       -----      -0.244      -0.856      -0.037
RESID 804 (L):       8.315      -0.544       -----       1.710       0.812       2.285
RESID 805 (G):       2.679       -----       -----      -0.848       -----       2.142
RESID 806 (V):      -5.727       0.200       -----      -1.785       1.788      -0.259
RESID 807 (V):      -0.500      -0.136       -----       1.179       0.083       0.165
RESID 808 (T):      -1.029      -0.002       -----       1.671      -0.617       0.121
RESID 809 (F):       3.116      -0.839       -----       0.391       0.691       1.250
RESID 810 (Q):      -0.351      -0.612       -----       0.518      -0.282       0.638
RESID 811 (A):      -0.929      -0.064       -----       1.087       0.540      -0.009
RESID 812 (F):       1.040      -0.435       -----      -0.339       0.884       0.067
RESID 813 (I):      -0.390      -0.830       -----       0.667      -0.101       0.492
RESID 814 (D):       2.799      -0.119       -----      -0.210      -0.578       0.339
RESID 815 (F):       0.382      -0.286       -----       0.533       0.105       0.034
RESID 816 (M):      -1.218      -0.274       -----      -1.450      -1.609       0.333
RESID 817 (S):       2.057      -0.192       -----       0.715      -0.350      -0.134
RESID 818 (R):       0.104       0.053       -----      -0.970       0.728      -0.648
RESID 819 (E):       0.948       0.012       -----      -1.768       1.294       0.352
RESID 820 (T):       3.943       0.523       -----      -0.461       0.901       0.436
RESID 821 (A):       3.148      -0.113       -----       1.726      -1.121       0.601
RESID 822 (D):      -0.330      -0.026       -----      -0.575      -0.389      -0.059
RESID 823 (T):      -3.051      -0.318       -----       1.580      -1.662       0.231
RESID 824 (D):       1.888       0.121       -----      -1.802      -0.194      -0.357
RESID 825 (T):       1.979       0.038       -----      -1.929       0.793      -0.452
RESID 826 (A):       0.128       0.139       -----       0.053       0.574       0.205
RESID 827 (D):       0.094       0.092       -----      -0.952      -0.478       0.453
RESID 828 (Q):       2.592      -0.033       -----      -0.211      -0.444       0.282
RESID 829 (V):       2.207      -0.380       -----       1.255      -0.839       0.680
RESID 830 (M):       1.453       0.331       -----       1.117       1.313      -0.103
RESID 831 (A):      -1.665       0.132       -----       0.458       0.406      -0.120
RESID 832 (S):      -1.406       0.125       -----      -0.218      -0.204       0.058
RESID 833 (F):       0.954      -0.358       -----       0.111       0.507       0.250
RESID 834 (K):      -1.167       0.067       -----       1.052       0.337       0.043
RESID 835 (I):      -1.282      -0.035       -----      -0.766      -0.191       0.049
RESID 836 (L):       1.298       0.135       -----      -0.281       0.264      -0.527
RESID 837 (A):       1.249      -0.040       -----      -0.711       0.347       0.444
RESID 838 (G):       0.474       -----       -----       0.145       -----      -0.684
RESID 839 (D):      -2.330      -0.304       -----       0.420      -2.076       0.546
RESID 840 (K):      -3.303      -0.064       -----      -0.307       0.746       0.249
RESID 841 (N):       1.096      -0.002       -----      -0.458       0.109      -0.279
RESID 842 (Y):      -1.913       0.267       -----      -1.054      -0.029      -0.662
RESID 843 (I):      -5.388       0.174       -----       0.725       0.090      -0.558
RESID 844 (T):      -1.226       0.183       -----      -0.443       0.451       0.012
RESID 845 (M):      -0.240      -0.159       -----      -0.086       0.865      -0.193
RESID 846 (D):      -1.536      -0.205       -----       0.857       0.033      -0.338
RESID 847 (E):       1.276      -0.275       -----       0.849      -0.304       0.223
RESID 848 (L):      -1.043      -0.211       -----       1.004       0.389       0.312
RESID 849 (R):      -0.682      -0.505       -----       1.651       0.966       0.159
RESID 850 (R):       0.539      -0.250       -----       0.875      -0.338      -0.213
RESID 851 (E):      -4.221      -0.021       -----      -0.476       0.017      -0.162
RESID 852 (L):      -2.360      -0.195       -----       0.667       0.385      -0.102
RESID 853 (P):       -----      -0.131       -----       1.186       1.392       -----
RESID 854 (P):       -----      -0.166       -----       4.203      -0.775       -----
RESID 855 (D):      -4.096      -0.105       -----       1.075      -0.761       0.477
RESID 856 (Q):       2.516      -0.130       -----      -0.648       1.075      -0.978
RESID 857 (A):       0.889      -0.165       -----       0.672      -0.242       0.813
RESID 858 (E):      -4.692       0.123       -----      -0.107      -0.380      -0.061
RESID 859 (Y):      -1.261      -0.029       -----       0.203       0.545      -0.349
RESID 860 (C):      -2.104       0.828       -----       0.330       0.297       0.545
RESID 861 (I):       0.246      -0.227       -----       0.388       1.113       0.378
RESID 862 (A):      -6.084       0.249       -----      -1.504       0.655      -0.786
RESID 863 (R):       1.951      -0.197       -----      -0.514       0.748      -0.199
RESID 864 (M):      -0.732       0.140       -----      -0.977       3.235      -0.069
RESID 865 (A):      -2.084      -0.844       -----      -0.788       0.158       0.312
RESID 866 (P):       -----      -0.053       -----      -0.067       1.624       -----
RESID 867 (Y):      -4.056       0.286       -----      -0.732       0.543      -0.105
RESID 868 (T):       -----      -0.133       -----      -0.056      -2.808       -----
RESID 869 (G):       -----       -----       -----      -0.260       -----       -----
RESID 870 (P):       -----      -0.108       -----       0.554      -0.699       -----
RESID 871 (D):      -2.558      -0.101       -----      -1.423      -2.132       0.672
RESID 872 (S):      -3.206      -0.772       -----       0.667      -0.980       0.020
RESID 873 (V):      -0.933       0.133       -----      -0.087       0.651      -1.546
RESID 874 (P):       -----      -0.179       -----       1.150       1.619       -----
RESID 875 (G):       3.993       -----       -----      -0.367       -----       0.237
RESID 876 (A):      -3.511      -1.424       -----       2.698      -1.235       0.012
RESID 877 (L):       3.919      -0.497       -----       0.525      -2.281       0.277
RESID 878 (D):      -1.922       0.394       -----      -0.477      -0.800       0.881
RESID 879 (Y):       2.677       0.257       -----      -0.658      -0.426      -0.577
RESID 880 (M):       6.544      -0.258       -----      -1.088      -3.272       0.097
RESID 881 (S):      -1.707      -0.140       -----       1.523       0.846      -0.488
RESID 882 (F):       3.290       0.309       -----       1.815       1.081      -0.042
RESID 883 (S):       3.657      -0.047       -----      -0.916       0.405      -0.906
RESID 884 (T):      -7.372      -0.204       -----       0.772       0.157      -0.134
RESID 885 (A):       0.317      -0.340       -----       0.938      -0.708       0.525
RESID 886 (L):      -3.711      -0.305       -----       0.516      -0.553      -0.516
RESID 887 (Y):       0.985      -0.069       -----       1.139       2.753      -0.353
RESID 888 (G):       4.553       -----       -----       0.055       -----       0.051
RESID 889 (E):       1.569       0.225       -----      -0.878       1.423       0.003
RESID 890 (S):       2.015      -0.294       -----       0.598      -1.320       0.335
RESID 891 (D):       3.131      -0.174       -----      -1.034      -0.141      -0.178

DATA CS_STAT_INFO  N  RMS:   2.833 ppm Count: 139 Average Difference: -0.325 +/- 2.825 ppm
DATA CS_STAT_INFO  HA RMS:   0.340 ppm Count: 160 Average Difference:  0.046 +/- 0.338 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   1.182 ppm Count: 150 Average Difference: -0.224 +/- 1.165 ppm
DATA CS_STAT_INFO  CB RMS:   1.074 ppm Count: 140 Average Difference:  0.105 +/- 1.072 ppm
DATA CS_STAT_INFO  HN RMS:   0.580 ppm Count: 139 Average Difference: -0.149 +/- 0.563 ppm


############################################################################
For conformer 20:

                   Atom      Original     Corrected        SPARTA    Difference
RESID 742 (S):       HA         4.525         4.525         4.354         0.171
RESID 742 (S):       CA        58.148        58.148        59.302        -1.154
RESID 742 (S):       CB        63.791        63.791        63.751         0.040
RESID 743 (I):        N       122.172       122.172       122.675        -0.503
RESID 743 (I):       HA         4.362         4.362         3.983         0.379
RESID 743 (I):       CA        60.421        60.421        62.100        -1.679
RESID 743 (I):       CB        39.166        39.166        38.922         0.244
RESID 743 (I):        H         8.132         8.132         7.487         0.645
RESID 744 (S):        N       123.144       123.144       120.783         2.361
RESID 744 (S):       HA         4.449         4.449         4.623        -0.174
RESID 744 (S):       CA        57.463        57.463        57.665        -0.202
RESID 744 (S):       CB        65.219        65.219        64.806         0.413
RESID 744 (S):        H         8.848         8.848         8.483         0.365
RESID 745 (Q):        N       121.619       121.619       122.182        -0.563
RESID 745 (Q):       HA         3.952         3.952         4.119        -0.167
RESID 745 (Q):       CA        58.768        58.768        59.382        -0.614
RESID 745 (Q):       CB        28.512        28.512        28.605        -0.093
RESID 745 (Q):        H         9.042         9.042         8.918         0.124
RESID 746 (E):        N       118.648       118.648       118.927        -0.279
RESID 746 (E):       HA         4.004         4.004         4.193        -0.189
RESID 746 (E):       CA        60.223        60.223        58.505         1.718
RESID 746 (E):       CB        28.854        28.854        29.396        -0.542
RESID 746 (E):        H         8.721         8.721         8.425         0.296
RESID 747 (Q):        N       120.463       120.463       120.195         0.268
RESID 747 (Q):       HA         3.766         3.766         4.352        -0.586
RESID 747 (Q):       CA        58.306        58.306        58.837        -0.531
RESID 747 (Q):       CB        28.948        28.948        28.202         0.746
RESID 747 (Q):        H         7.838         7.838         8.445        -0.607
RESID 748 (M):        N       119.252       119.252       114.961         4.291
RESID 748 (M):       HA         4.200         4.200         4.480        -0.280
RESID 748 (M):       CA        58.096        58.096        59.043        -0.947
RESID 748 (M):       CB        30.900        30.900        32.317        -1.417
RESID 748 (M):        H         8.473         8.473         8.243         0.230
RESID 749 (N):        N       117.740       117.740       118.784        -1.044
RESID 749 (N):       HA         4.474         4.474         4.517        -0.043
RESID 749 (N):       CA        55.795        55.795        56.029        -0.234
RESID 749 (N):       CB        37.413        37.413        38.998        -1.585
RESID 749 (N):        H         8.334         8.334         7.942         0.392
RESID 750 (E):        N       122.848       122.848       119.878         2.970
RESID 750 (E):       HA         4.204         4.204         4.144         0.060
RESID 750 (E):       CA        59.341        59.341        58.546         0.795
RESID 750 (E):       CB        29.184        29.184        29.502        -0.318
RESID 750 (E):        H         7.838         7.838         8.391        -0.553
RESID 751 (F):        N       120.177       120.177       123.354        -3.177
RESID 751 (F):       HA         5.021         5.021         4.320         0.701
RESID 751 (F):       CA        58.353        58.353        59.432        -1.079
RESID 751 (F):       CB        37.797        37.797        39.367        -1.570
RESID 751 (F):        H         8.785         8.785         8.538         0.247
RESID 752 (R):        N       120.528       120.528       119.391         1.137
RESID 752 (R):       HA         4.160         4.160         3.862         0.298
RESID 752 (R):       CA        59.704        59.704        57.737         1.967
RESID 752 (R):       CB        29.968        29.968        28.714         1.254
RESID 752 (R):        H         9.016         9.016         7.996         1.020
RESID 753 (A):        N       121.112       121.112       121.931        -0.819
RESID 753 (A):       HA         4.245         4.245         4.536        -0.291
RESID 753 (A):       CA        55.331        55.331        54.172         1.159
RESID 753 (A):       CB        17.823        17.823        18.191        -0.368
RESID 753 (A):        H         8.100         8.100         7.619         0.481
RESID 754 (S):        N       115.589       115.589       115.269         0.320
RESID 754 (S):       HA         4.452         4.452         4.182         0.270
RESID 754 (S):       CA        62.675        62.675        59.891         2.784
RESID 754 (S):       CB        63.359        63.359        62.823         0.536
RESID 754 (S):        H         8.391         8.391         8.031         0.360
RESID 755 (F):        N       121.886       121.886       119.703         2.183
RESID 755 (F):       HA         3.642         3.642         4.067        -0.425
RESID 755 (F):       CA        61.964        61.964        60.437         1.527
RESID 755 (F):       CB        39.822        39.822        38.866         0.956
RESID 755 (F):        H         8.675         8.675         7.373         1.302
RESID 756 (N):        N       113.618       113.618       113.236         0.382
RESID 756 (N):       HA         4.427         4.427         4.005         0.422
RESID 756 (N):       CA        55.611        55.611        52.973         2.638
RESID 756 (N):       CB        37.838        37.838        38.268        -0.430
RESID 756 (N):        H         8.593         8.593         7.480         1.113
RESID 757 (H):        N       119.679       119.679       121.337        -1.658
RESID 757 (H):       HA         4.079         4.079         4.255        -0.176
RESID 757 (H):       CA        59.344        59.344        59.444        -0.100
RESID 757 (H):       CB        29.889        29.889        30.064        -0.175
RESID 757 (H):        H         8.139         8.139         7.511         0.628
RESID 758 (F):        N       113.051       113.051       116.615        -3.564
RESID 758 (F):       HA         4.061         4.061         4.630        -0.569
RESID 758 (F):       CA        60.697        60.697        58.422         2.275
RESID 758 (F):       CB        38.735        38.735        40.626        -1.891
RESID 758 (F):        H         7.585         7.585         7.630        -0.045
RESID 759 (D):        N       120.916       120.916       121.499        -0.583
RESID 759 (D):       HA         4.509         4.509         4.470         0.039
RESID 759 (D):       CA        52.171        52.171        55.008        -2.837
RESID 759 (D):       CB        38.009        38.009        40.657        -2.648
RESID 759 (D):        H         7.423         7.423         7.938        -0.515
RESID 760 (R):        N       124.819       124.819       125.900        -1.081
RESID 760 (R):       HA         3.768         3.768         4.094        -0.326
RESID 760 (R):       CA        58.275        58.275        58.602        -0.327
RESID 760 (R):       CB        30.249        30.249        30.660        -0.411
RESID 760 (R):        H         7.781         7.781         8.305        -0.524
RESID 761 (D):        N       113.673       113.673       113.269         0.404
RESID 761 (D):       HA         4.483         4.483         4.711        -0.228
RESID 761 (D):       CA        51.977        51.977        53.426        -1.449
RESID 761 (D):       CB        39.522        39.522        40.645        -1.123
RESID 761 (D):        H         7.821         7.821         8.098        -0.277
RESID 762 (H):        N       114.966       114.966       116.846        -1.880
RESID 762 (H):       HA         4.161         4.161         4.241        -0.080
RESID 762 (H):       CA        56.618        56.618        56.939        -0.321
RESID 762 (H):       CB        26.380        26.380        28.916        -2.536
RESID 762 (H):        H         7.744         7.744         7.899        -0.155
RESID 763 (S):        N       115.077       115.077       113.916         1.161
RESID 763 (S):       HA         4.336         4.336         4.368        -0.032
RESID 763 (S):       CA        59.860        59.860        59.752         0.108
RESID 763 (S):       CB        65.192        65.192        64.113         1.079
RESID 763 (S):        H         8.726         8.726         8.660         0.066
RESID 764 (G):        N       116.915       116.915       110.670         6.245
RESID 764 (G):       CA        45.449        45.449        45.320         0.129
RESID 764 (G):        H        11.017        11.017         8.867         2.150
RESID 765 (T):        N       107.334       107.334       109.918        -2.584
RESID 765 (T):       HA         4.829         4.829         5.164        -0.335
RESID 765 (T):       CA        58.759        58.759        60.256        -1.497
RESID 765 (T):       CB        73.383        73.383        72.193         1.190
RESID 765 (T):        H         7.693         7.693         8.069        -0.376
RESID 766 (L):        N       124.664       124.664       123.757         0.907
RESID 766 (L):       HA         4.900         4.900         4.717         0.183
RESID 766 (L):       CA        52.339        52.339        53.619        -1.280
RESID 766 (L):       CB        42.339        42.339        43.107        -0.768
RESID 766 (L):        H         9.209         9.209         8.659         0.550
RESID 767 (G):        N       112.024       112.024       112.113        -0.089
RESID 767 (G):       CA        44.123        44.123        43.833         0.290
RESID 767 (G):        H         8.910         8.910         8.939        -0.029
RESID 768 (P):       HA         4.318         4.318         4.525        -0.207
RESID 768 (P):       CA        67.127        67.127        66.265         0.862
RESID 768 (P):       CB        32.029        32.029        32.033        -0.004
RESID 769 (E):        N       115.246       115.246       117.699        -2.453
RESID 769 (E):       HA         3.971         3.971         4.060        -0.089
RESID 769 (E):       CA        59.621        59.621        58.933         0.688
RESID 769 (E):       CB        28.628        28.628        28.741        -0.112
RESID 769 (E):        H         8.622         8.622         8.988        -0.366
RESID 770 (E):        N       121.127       121.127       118.232         2.895
RESID 770 (E):       HA         4.272         4.272         4.248         0.024
RESID 770 (E):       CA        58.497        58.497        58.485         0.012
RESID 770 (E):       CB        31.372        31.372        29.910         1.462
RESID 770 (E):        H         7.493         7.493         8.082        -0.589
RESID 771 (F):        N       117.688       117.688       122.072        -4.384
RESID 771 (F):       HA         4.355         4.355         4.278         0.077
RESID 771 (F):       CA        58.625        58.625        60.638        -2.013
RESID 771 (F):       CB        38.810        38.810        39.442        -0.632
RESID 771 (F):        H         9.110         9.110         8.982         0.128
RESID 772 (K):        N       119.789       119.789       118.603         1.186
RESID 772 (K):       HA         3.313         3.313         3.704        -0.391
RESID 772 (K):       CA        60.672        60.672        58.352         2.320
RESID 772 (K):       CB        31.979        31.979        30.923         1.056
RESID 772 (K):        H         8.594         8.594         8.036         0.558
RESID 773 (A):        N       118.461       118.461       120.674        -2.213
RESID 773 (A):       HA         3.881         3.881         3.978        -0.097
RESID 773 (A):       CA        55.013        55.013        53.721         1.292
RESID 773 (A):       CB        17.629        17.629        18.840        -1.211
RESID 773 (A):        H         7.231         7.231         7.490        -0.259
RESID 774 (C):        N       120.913       120.913       119.306         1.607
RESID 774 (C):       HA         2.435         2.435         3.244        -0.809
RESID 774 (C):       CA        61.174        61.174        61.804        -0.631
RESID 774 (C):       CB        26.215        26.215        27.284        -1.069
RESID 774 (C):        H         7.498         7.498         7.654        -0.156
RESID 775 (L):        N       119.201       119.201       118.621         0.580
RESID 775 (L):       HA         3.766         3.766         3.590         0.176
RESID 775 (L):       CA        57.932        57.932        56.367         1.565
RESID 775 (L):       CB        40.950        40.950        41.222        -0.272
RESID 775 (L):        H         8.372         8.372         7.522         0.850
RESID 776 (I):        N       121.051       121.051       118.405         2.646
RESID 776 (I):       HA         4.090         4.090         2.437         1.653
RESID 776 (I):       CA        65.244        65.244        64.230         1.014
RESID 776 (I):       CB        37.991        37.991        37.220         0.771
RESID 776 (I):        H         8.358         8.358         6.650         1.708
RESID 777 (S):        N       119.109       119.109       113.072         6.037
RESID 777 (S):       HA         4.291         4.291         4.156         0.135
RESID 777 (S):       CA        61.725        61.725        59.596         2.129
RESID 777 (S):       CB        62.995        62.995        63.257        -0.262
RESID 777 (S):        H         7.822         7.822         7.319         0.503
RESID 778 (L):        N       121.208       121.208       117.595         3.613
RESID 778 (L):       HA         4.506         4.506         4.355         0.151
RESID 778 (L):       CA        54.999        54.999        53.604         1.395
RESID 778 (L):       CB        42.670        42.670        42.158         0.512
RESID 778 (L):        H         7.671         7.671         7.003         0.668
RESID 779 (G):        N       106.232       106.232       107.214        -0.982
RESID 779 (G):       CA        45.287        45.287        45.062         0.224
RESID 779 (G):        H         7.897         7.897         7.320         0.577
RESID 780 (Y):        N       120.772       120.772       119.364         1.408
RESID 780 (Y):       HA         4.142         4.142         4.552        -0.410
RESID 780 (Y):       CA        59.231        59.231        55.004         4.227
RESID 780 (Y):       CB        38.341        38.341        38.599        -0.258
RESID 780 (Y):        H         8.072         8.072         7.493         0.579
RESID 781 (D):        N       124.304       124.304       117.847         6.457
RESID 781 (D):       HA         4.665         4.665         4.702        -0.037
RESID 781 (D):       CA        53.148        53.148        53.479        -0.331
RESID 781 (D):       CB        39.804        39.804        40.417        -0.613
RESID 781 (D):        H         8.862         8.862         9.086        -0.224
RESID 782 (I):        N       122.271       122.271       112.711         9.560
RESID 782 (I):       HA         4.341         4.341         4.426        -0.085
RESID 782 (I):       CA        58.992        58.992        59.069        -0.077
RESID 782 (I):       CB        37.907        37.907        40.607        -2.700
RESID 782 (I):        H         7.344         7.344         6.921         0.423
RESID 783 (G):        N       112.322       112.322       105.873         6.449
RESID 783 (G):       CA        44.523        44.523        44.514         0.009
RESID 783 (G):        H         8.122         8.122         8.198        -0.076
RESID 784 (N):        N       118.727       118.727       117.706         1.021
RESID 784 (N):       HA         4.882         4.882         4.813         0.069
RESID 784 (N):       CA        52.098        52.098        53.094        -0.996
RESID 784 (N):       CB        37.424        37.424        38.878        -1.454
RESID 784 (N):        H         8.452         8.452         8.641        -0.189
RESID 785 (D):        N       119.826       119.826       120.529        -0.703
RESID 785 (D):       HA         4.778         4.778         4.684         0.094
RESID 785 (D):       CA        52.164        52.164        52.926        -0.762
RESID 785 (D):       CB        39.657        39.657        41.115        -1.458
RESID 785 (D):        H         8.145         8.145         7.647         0.498
RESID 786 (P):       HA         4.271         4.271         4.239         0.032
RESID 786 (P):       CA        66.265        66.265        65.249         1.016
RESID 786 (P):       CB        32.011        32.011        32.148        -0.137
RESID 787 (Q):        N       118.097       118.097       117.419         0.678
RESID 787 (Q):       HA         4.141         4.141         4.234        -0.093
RESID 787 (Q):       CA        59.115        59.115        58.014         1.101
RESID 787 (Q):       CB        27.732        27.732        28.506        -0.773
RESID 787 (Q):        H         8.409         8.409         8.277         0.132
RESID 788 (G):        N       113.421       113.421       108.618         4.803
RESID 788 (G):       CA        47.317        47.317        46.562         0.755
RESID 788 (G):        H         8.644         8.644         8.409         0.235
RESID 789 (E):        N       121.223       121.223       121.821        -0.598
RESID 789 (E):       HA         4.148         4.148         4.255        -0.107
RESID 789 (E):       CA        59.344        59.344        59.640        -0.296
RESID 789 (E):       CB        29.435        29.435        29.444        -0.009
RESID 789 (E):        H         8.514         8.514         8.517        -0.003
RESID 790 (A):        N       122.879       122.879       122.336         0.543
RESID 790 (A):       HA         4.247         4.247         4.190         0.057
RESID 790 (A):       CA        54.907        54.907        55.156        -0.249
RESID 790 (A):       CB        17.780        17.780        18.394        -0.614
RESID 790 (A):        H         8.024         8.024         7.535         0.489
RESID 791 (E):        N       122.622       122.622       119.274         3.348
RESID 791 (E):       HA         4.687         4.687         4.103         0.584
RESID 791 (E):       CA        58.134        58.134        58.614        -0.480
RESID 791 (E):       CB        29.061        29.061        29.450        -0.389
RESID 791 (E):        H         8.280         8.280         7.620         0.660
RESID 792 (F):        N       119.949       119.949       121.562        -1.613
RESID 792 (F):       HA         4.038         4.038         4.179        -0.141
RESID 792 (F):       CA        61.812        61.812        61.329         0.483
RESID 792 (F):       CB        38.598        38.598        38.463         0.135
RESID 792 (F):        H         8.722         8.722         8.879        -0.157
RESID 793 (A):        N       119.652       119.652       121.209        -1.557
RESID 793 (A):       HA         3.854         3.854         3.276         0.578
RESID 793 (A):       CA        54.902        54.902        54.453         0.450
RESID 793 (A):       CB        17.628        17.628        17.881        -0.253
RESID 793 (A):        H         8.163         8.163         7.815         0.348
RESID 794 (R):        N       121.092       121.092       119.391         1.701
RESID 794 (R):       HA         3.910         3.910         3.995        -0.085
RESID 794 (R):       CA        59.471        59.471        59.077         0.394
RESID 794 (R):       CB        30.092        30.092        30.204        -0.112
RESID 794 (R):        H         8.034         8.034         7.763         0.271
RESID 795 (I):        N       121.394       121.394       120.925         0.469
RESID 795 (I):       HA         3.388         3.388         3.721        -0.333
RESID 795 (I):       CA        65.848        65.848        65.265         0.583
RESID 795 (I):       CB        38.209        38.209        38.263        -0.054
RESID 795 (I):        H         8.049         8.049         8.350        -0.301
RESID 796 (M):        N       119.012       119.012       118.043         0.969
RESID 796 (M):       HA         4.155         4.155         3.937         0.218
RESID 796 (M):       CA        56.470        56.470        58.425        -1.955
RESID 796 (M):       CB        29.892        29.892        31.758        -1.866
RESID 796 (M):        H         8.589         8.589         8.213         0.376
RESID 797 (S):        N       114.132       114.132       112.887         1.245
RESID 797 (S):       HA         4.097         4.097         4.323        -0.226
RESID 797 (S):       CA        61.231        61.231        60.318         0.913
RESID 797 (S):       CB        62.895        62.895        63.964        -1.069
RESID 797 (S):        H         7.732         7.732         7.633         0.099
RESID 798 (I):        N       120.873       120.873       115.412         5.461
RESID 798 (I):       HA         3.818         3.818         4.120        -0.302
RESID 798 (I):       CA        63.875        63.875        62.822         1.053
RESID 798 (I):       CB        38.863        38.863        38.714         0.149
RESID 798 (I):        H         7.352         7.352         7.656        -0.304
RESID 799 (V):        N       110.552       110.552       112.333        -1.781
RESID 799 (V):       HA         4.243         4.243         4.039         0.204
RESID 799 (V):       CA        62.616        62.616        61.461         1.155
RESID 799 (V):       CB        32.416        32.416        31.451         0.965
RESID 799 (V):        H         7.648         7.648         7.759        -0.111
RESID 800 (D):        N       119.435       119.435       120.226        -0.791
RESID 800 (D):       HA         5.225         5.225         5.078         0.147
RESID 800 (D):       CA        51.715        51.715        50.207         1.508
RESID 800 (D):       CB        41.086        41.086        41.816        -0.730
RESID 800 (D):        H         8.074         8.074         7.861         0.213
RESID 801 (P):       HA         4.331         4.331         4.445        -0.114
RESID 801 (P):       CA        64.819        64.819        63.984         0.835
RESID 801 (P):       CB        31.689        31.689        31.787        -0.098
RESID 802 (N):        N       115.164       115.164       115.742        -0.578
RESID 802 (N):       HA         4.760         4.760         4.747         0.013
RESID 802 (N):       CA        52.998        52.998        52.624         0.374
RESID 802 (N):       CB        37.952        37.952        40.013        -2.061
RESID 802 (N):        H         8.949         8.949         7.546         1.403
RESID 803 (R):        N       117.446       117.446       116.577         0.869
RESID 803 (R):       HA         3.830         3.830         4.060        -0.230
RESID 803 (R):       CA        56.888        56.888        56.876         0.012
RESID 803 (R):       CB        26.354        26.354        27.039        -0.685
RESID 803 (R):        H         7.958         7.958         7.990        -0.032
RESID 804 (L):        N       123.307       123.307       116.814         6.493
RESID 804 (L):       HA         4.156         4.156         4.656        -0.500
RESID 804 (L):       CA        56.373        56.373        54.520         1.853
RESID 804 (L):       CB        42.930        42.930        41.632         1.298
RESID 804 (L):        H        10.591        10.591         8.068         2.523
RESID 805 (G):        N       110.516       110.516       107.531         2.985
RESID 805 (G):       CA        44.944        44.944        45.373        -0.429
RESID 805 (G):        H        11.001        11.001         8.292         2.709
RESID 806 (V):        N       109.840       109.840       113.816        -3.976
RESID 806 (V):       HA         4.571         4.571         4.274         0.297
RESID 806 (V):       CA        58.566        58.566        59.361        -0.795
RESID 806 (V):       CB        36.853        36.853        35.384         1.469
RESID 806 (V):        H         6.831         6.831         7.066        -0.235
RESID 807 (V):        N       122.184       122.184       122.020         0.164
RESID 807 (V):       HA         4.167         4.167         4.407        -0.240
RESID 807 (V):       CA        61.644        61.644        61.410         0.234
RESID 807 (V):       CB        32.383        32.383        31.922         0.460
RESID 807 (V):        H         9.007         9.007         8.811         0.196
RESID 808 (T):        N       117.391       117.391       118.433        -1.042
RESID 808 (T):       HA         4.593         4.593         4.624        -0.031
RESID 808 (T):       CA        60.615        60.615        58.581         2.034
RESID 808 (T):       CB        70.695        70.695        71.217        -0.522
RESID 808 (T):        H         7.925         7.925         7.574         0.351
RESID 809 (F):        N       122.236       122.236       120.296         1.940
RESID 809 (F):       HA         3.640         3.640         4.434        -0.794
RESID 809 (F):       CA        61.749        61.749        61.378         0.371
RESID 809 (F):       CB        38.177        38.177        37.459         0.718
RESID 809 (F):        H         9.349         9.349         8.176         1.173
RESID 810 (Q):        N       116.788       116.788       116.752         0.036
RESID 810 (Q):       HA         3.598         3.598         4.160        -0.562
RESID 810 (Q):       CA        58.582        58.582        57.956         0.626
RESID 810 (Q):       CB        28.199        28.199        28.498        -0.300
RESID 810 (Q):        H         8.572         8.572         7.804         0.768
RESID 811 (A):        N       121.208       121.208       122.019        -0.811
RESID 811 (A):       HA         4.119         4.119         4.205        -0.086
RESID 811 (A):       CA        54.911        54.911        53.693         1.218
RESID 811 (A):       CB        19.265        19.265        18.808         0.457
RESID 811 (A):        H         7.667         7.667         7.694        -0.027
RESID 812 (F):        N       119.805       119.805       118.732         1.073
RESID 812 (F):       HA         3.980         3.980         4.329        -0.349
RESID 812 (F):       CA        61.740        61.740        62.470        -0.730
RESID 812 (F):       CB        39.670        39.670        38.524         1.146
RESID 812 (F):        H         8.400         8.400         8.259         0.141
RESID 813 (I):        N       118.098       118.098       118.144        -0.046
RESID 813 (I):       HA         3.146         3.146         4.056        -0.910
RESID 813 (I):       CA        63.299        63.299        62.761         0.537
RESID 813 (I):       CB        36.202        36.202        36.372        -0.170
RESID 813 (I):        H         8.364         8.364         7.839         0.525
RESID 814 (D):        N       123.528       123.528       120.513         3.015
RESID 814 (D):       HA         4.196         4.196         4.369        -0.173
RESID 814 (D):       CA        57.680        57.680        57.749        -0.069
RESID 814 (D):       CB        40.236        40.236        40.791        -0.555
RESID 814 (D):        H         8.221         8.221         7.906         0.315
RESID 815 (F):        N       120.584       120.584       119.848         0.736
RESID 815 (F):       HA         4.129         4.129         4.372        -0.243
RESID 815 (F):       CA        61.084        61.084        60.807         0.277
RESID 815 (F):       CB        39.698        39.698        39.455         0.243
RESID 815 (F):        H         7.887         7.887         7.890        -0.003
RESID 816 (M):        N       116.960       116.960       118.485        -1.525
RESID 816 (M):       HA         3.782         3.782         4.162        -0.380
RESID 816 (M):       CA        55.662        55.662        56.775        -1.113
RESID 816 (M):       CB        30.033        30.033        32.001        -1.968
RESID 816 (M):        H         8.372         8.372         8.239         0.133
RESID 817 (S):        N       114.277       114.277       113.159         1.118
RESID 817 (S):       HA         4.194         4.194         4.328        -0.134
RESID 817 (S):       CA        60.521        60.521        59.769         0.752
RESID 817 (S):       CB        63.185        63.185        63.252        -0.067
RESID 817 (S):        H         8.074         8.074         8.346        -0.272
RESID 818 (R):        N       121.493       121.493       121.628        -0.135
RESID 818 (R):       HA         4.124         4.124         4.114         0.010
RESID 818 (R):       CA        57.684        57.684        58.456        -0.772
RESID 818 (R):       CB        30.315        30.315        29.539         0.776
RESID 818 (R):        H         7.288         7.288         8.123        -0.835
RESID 819 (E):        N       119.737       119.737       119.441         0.296
RESID 819 (E):       HA         4.101         4.101         4.061         0.040
RESID 819 (E):       CA        57.066        57.066        58.887        -1.821
RESID 819 (E):       CB        30.491        30.491        29.009         1.482
RESID 819 (E):        H         8.045         8.045         7.698         0.347
RESID 820 (T):        N       112.128       112.128       109.218         2.910
RESID 820 (T):       HA         4.280         4.280         3.953         0.327
RESID 820 (T):       CA        62.055        62.055        63.051        -0.996
RESID 820 (T):       CB        69.828        69.828        68.959         0.869
RESID 820 (T):        H         7.760         7.760         7.360         0.400
RESID 821 (A):        N       126.098       126.098       124.856         1.242
RESID 821 (A):       HA         4.284         4.284         4.397        -0.113
RESID 821 (A):       CA        52.726        52.726        50.859         1.867
RESID 821 (A):       CB        19.304        19.304        20.341        -1.037
RESID 821 (A):        H         7.957         7.957         7.645         0.312
RESID 822 (D):        N       119.904       119.904       123.409        -3.505
RESID 822 (D):       HA         4.613         4.613         4.378         0.235
RESID 822 (D):       CA        54.335        54.335        54.978        -0.643
RESID 822 (D):       CB        41.032        41.032        41.813        -0.781
RESID 822 (D):        H         8.352         8.352         8.485        -0.133
RESID 823 (T):        N       114.142       114.142       117.431        -3.289
RESID 823 (T):       HA         4.278         4.278         4.596        -0.318
RESID 823 (T):       CA        62.117        62.117        60.830         1.288
RESID 823 (T):       CB        69.584        69.584        71.489        -1.905
RESID 823 (T):        H         8.079         8.079         8.233        -0.154
RESID 824 (D):        N       123.261       123.261       122.735         0.526
RESID 824 (D):       HA         4.657         4.657         4.440         0.217
RESID 824 (D):       CA        54.786        54.786        57.245        -2.458
RESID 824 (D):       CB        41.085        41.085        41.052         0.033
RESID 824 (D):        H         8.431         8.431         8.878        -0.447
RESID 825 (T):        N       114.932       114.932       112.332         2.600
RESID 825 (T):       HA         4.161         4.161         4.213        -0.052
RESID 825 (T):       CA        63.109        63.109        64.265        -1.156
RESID 825 (T):       CB        69.455        69.455        68.500         0.955
RESID 825 (T):        H         8.155         8.155         8.417        -0.262
RESID 826 (A):        N       124.961       124.961       124.239         0.722
RESID 826 (A):       HA         4.160         4.160         4.004         0.156
RESID 826 (A):       CA        54.392        54.392        54.693        -0.301
RESID 826 (A):       CB        18.610        18.610        18.458         0.152
RESID 826 (A):        H         8.379         8.379         7.543         0.836
RESID 827 (D):        N       117.765       117.765       117.870        -0.105
RESID 827 (D):       HA         4.425         4.425         4.335         0.090
RESID 827 (D):       CA        56.051        56.051        57.145        -1.094
RESID 827 (D):       CB        40.559        40.559        40.941        -0.383
RESID 827 (D):        H         8.250         8.250         7.927         0.323
RESID 828 (Q):        N       120.523       120.523       117.991         2.532
RESID 828 (Q):       HA         4.091         4.091         4.065         0.026
RESID 828 (Q):       CA        57.814        57.814        58.223        -0.409
RESID 828 (Q):       CB        28.549        28.549        28.852        -0.303
RESID 828 (Q):        H         8.076         8.076         7.675         0.401
RESID 829 (V):        N       120.970       120.970       120.749         0.221
RESID 829 (V):       HA         3.525         3.525         3.806        -0.281
RESID 829 (V):       CA        65.194        65.194        64.185         1.009
RESID 829 (V):       CB        31.541        31.541        32.062        -0.521
RESID 829 (V):        H         8.051         8.051         7.321         0.730
RESID 830 (M):        N       119.572       119.572       118.520         1.052
RESID 830 (M):       HA         4.006         4.006         3.931         0.075
RESID 830 (M):       CA        57.977        57.977        57.936         0.041
RESID 830 (M):       CB        31.995        31.995        31.840         0.155
RESID 830 (M):        H         8.110         8.110         8.211        -0.101
RESID 831 (A):        N       121.059       121.059       121.174        -0.115
RESID 831 (A):       HA         4.045         4.045         3.478         0.567
RESID 831 (A):       CA        54.501        54.501        54.334         0.167
RESID 831 (A):       CB        18.067        18.067        17.494         0.573
RESID 831 (A):        H         7.836         7.836         7.311         0.525
RESID 832 (S):        N       114.256       114.256       115.797        -1.541
RESID 832 (S):       HA         4.141         4.141         3.989         0.152
RESID 832 (S):       CA        60.845        60.845        61.209        -0.364
RESID 832 (S):       CB        62.613        62.613        62.859        -0.246
RESID 832 (S):        H         7.714         7.714         7.570         0.144
RESID 833 (F):        N       121.847       121.847       119.300         2.547
RESID 833 (F):       HA         3.823         3.823         4.258        -0.435
RESID 833 (F):       CA        58.627        58.627        57.611         1.016
RESID 833 (F):       CB        38.127        38.127        37.357         0.770
RESID 833 (F):        H         7.740         7.740         7.715         0.025
RESID 834 (K):        N       118.759       118.759       120.591        -1.832
RESID 834 (K):       HA         3.589         3.589         3.598        -0.009
RESID 834 (K):       CA        59.384        59.384        58.221         1.163
RESID 834 (K):       CB        32.143        32.143        31.930         0.213
RESID 834 (K):        H         7.843         7.843         7.917        -0.074
RESID 835 (I):        N       118.537       118.537       119.650        -1.113
RESID 835 (I):       HA         3.736         3.736         3.747        -0.011
RESID 835 (I):       CA        63.714        63.714        64.465        -0.751
RESID 835 (I):       CB        37.825        37.825        37.824         0.001
RESID 835 (I):        H         7.315         7.315         7.120         0.195
RESID 836 (L):        N       121.201       121.201       118.955         2.246
RESID 836 (L):       HA         3.955         3.955         3.794         0.161
RESID 836 (L):       CA        57.074        57.074        57.429        -0.355
RESID 836 (L):       CB        42.415        42.415        41.829         0.586
RESID 836 (L):        H         7.625         7.625         8.126        -0.501
RESID 837 (A):        N       119.184       119.184       118.593         0.591
RESID 837 (A):       HA         3.895         3.895         3.887         0.008
RESID 837 (A):       CA        53.301        53.301        54.024        -0.723
RESID 837 (A):       CB        19.338        19.338        18.851         0.487
RESID 837 (A):        H         8.099         8.099         7.438         0.661
RESID 838 (G):        N       107.030       107.030       106.832         0.198
RESID 838 (G):       CA        46.918        46.918        46.757         0.161
RESID 838 (G):        H         7.676         7.676         8.263        -0.587
RESID 839 (D):        N       122.291       122.291       124.232        -1.941
RESID 839 (D):       HA         4.477         4.477         4.839        -0.362
RESID 839 (D):       CA        54.511        54.511        53.189         1.322
RESID 839 (D):       CB        40.181        40.181        41.410        -1.229
RESID 839 (D):        H         8.704         8.704         8.080         0.624
RESID 840 (K):        N       117.582       117.582       120.056        -2.474
RESID 840 (K):       HA         4.301         4.301         4.529        -0.228
RESID 840 (K):       CA        55.780        55.780        55.466         0.314
RESID 840 (K):       CB        33.710        33.710        33.758        -0.048
RESID 840 (K):        H         7.583         7.583         7.434         0.149
RESID 841 (N):        N       116.678       116.678       116.310         0.368
RESID 841 (N):       HA         4.611         4.611         4.666        -0.055
RESID 841 (N):       CA        53.466        53.466        53.521        -0.055
RESID 841 (N):       CB        39.155        39.155        39.102         0.053
RESID 841 (N):        H         8.693         8.693         8.836        -0.143
RESID 842 (Y):        N       112.236       112.236       114.433        -2.197
RESID 842 (Y):       HA         4.986         4.986         4.850         0.136
RESID 842 (Y):       CA        54.918        54.918        55.995        -1.077
RESID 842 (Y):       CB        40.595        40.595        40.583         0.012
RESID 842 (Y):        H         6.637         6.637         7.300        -0.663
RESID 843 (I):        N       115.475       115.475       121.823        -6.348
RESID 843 (I):       HA         4.792         4.792         4.539         0.253
RESID 843 (I):       CA        58.957        58.957        58.266         0.692
RESID 843 (I):       CB        43.009        43.009        42.870         0.139
RESID 843 (I):        H         8.630         8.630         9.239        -0.609
RESID 844 (T):        N       117.169       117.169       118.517        -1.348
RESID 844 (T):       HA         5.370         5.370         5.219         0.151
RESID 844 (T):       CA        60.177        60.177        60.612        -0.435
RESID 844 (T):       CB        71.088        71.088        70.629         0.458
RESID 844 (T):        H         9.330         9.330         9.287         0.043
RESID 845 (M):        N       119.860       119.860       120.285        -0.425
RESID 845 (M):       HA         3.824         3.824         4.043        -0.219
RESID 845 (M):       CA        60.321        60.321        60.455        -0.134
RESID 845 (M):       CB        33.030        33.030        32.304         0.726
RESID 845 (M):        H         8.556         8.556         8.822        -0.266
RESID 846 (D):        N       116.363       116.363       117.121        -0.758
RESID 846 (D):       HA         4.280         4.280         4.482        -0.202
RESID 846 (D):       CA        57.404        57.404        56.158         1.246
RESID 846 (D):       CB        40.584        40.584        40.264         0.320
RESID 846 (D):        H         8.377         8.377         8.689        -0.312
RESID 847 (E):        N       120.577       120.577       118.346         2.231
RESID 847 (E):       HA         3.854         3.854         4.197        -0.343
RESID 847 (E):       CA        59.657        59.657        58.437         1.220
RESID 847 (E):       CB        29.660        29.660        30.178        -0.518
RESID 847 (E):        H         7.855         7.855         7.723         0.132
RESID 848 (L):        N       118.714       118.714       120.227        -1.513
RESID 848 (L):       HA         3.822         3.822         4.118        -0.296
RESID 848 (L):       CA        58.725        58.725        57.662         1.063
RESID 848 (L):       CB        42.457        42.457        42.216         0.241
RESID 848 (L):        H         7.849         7.849         7.571         0.278
RESID 849 (R):        N       113.972       113.972       115.156        -1.184
RESID 849 (R):       HA         3.924         3.924         4.493        -0.569
RESID 849 (R):       CA        58.595        58.595        56.995         1.600
RESID 849 (R):       CB        30.100        30.100        29.119         0.982
RESID 849 (R):        H         8.053         8.053         7.771         0.282
RESID 850 (R):        N       118.178       118.178       118.212        -0.034
RESID 850 (R):       HA         4.193         4.193         4.432        -0.239
RESID 850 (R):       CA        58.245        58.245        57.448         0.797
RESID 850 (R):       CB        31.120        31.120        31.880        -0.760
RESID 850 (R):        H         7.743         7.743         7.951        -0.208
RESID 851 (E):        N       115.518       115.518       118.232        -2.714
RESID 851 (E):       HA         4.350         4.350         4.408        -0.058
RESID 851 (E):       CA        56.886        56.886        57.065        -0.179
RESID 851 (E):       CB        31.590        31.590        31.961        -0.371
RESID 851 (E):        H         7.596         7.596         7.766        -0.170
RESID 852 (L):        N       119.148       119.148       121.242        -2.094
RESID 852 (L):       HA         4.894         4.894         5.354        -0.460
RESID 852 (L):       CA        52.174        52.174        51.447         0.727
RESID 852 (L):       CB        42.469        42.469        42.123         0.346
RESID 852 (L):        H         7.890         7.890         7.927        -0.037
RESID 853 (P):       HA         4.347         4.347         4.480        -0.133
RESID 853 (P):       CA        65.119        65.119        63.958         1.161
RESID 853 (P):       CB        31.631        31.631        30.212         1.419
RESID 854 (P):       HA         4.270         4.270         4.540        -0.270
RESID 854 (P):       CA        66.336        66.336        61.922         4.415
RESID 854 (P):       CB        32.256        32.256        33.157        -0.901
RESID 855 (D):        N       114.865       114.865       119.012        -4.147
RESID 855 (D):       HA         4.349         4.349         4.285         0.064
RESID 855 (D):       CA        56.913        56.913        57.553        -0.640
RESID 855 (D):       CB        39.244        39.244        40.126        -0.882
RESID 855 (D):        H         8.801         8.801         8.303         0.498
RESID 856 (Q):        N       121.465       121.465       118.885         2.580
RESID 856 (Q):       HA         4.199         4.199         4.270        -0.071
RESID 856 (Q):       CA        58.317        58.317        59.603        -1.286
RESID 856 (Q):       CB        29.247        29.247        28.169         1.078
RESID 856 (Q):        H         7.472         7.472         8.523        -1.051
RESID 857 (A):        N       122.805       122.805       121.927         0.878
RESID 857 (A):       HA         3.799         3.799         4.008        -0.209
RESID 857 (A):       CA        56.303        56.303        55.707         0.596
RESID 857 (A):       CB        17.944        17.944        18.170        -0.226
RESID 857 (A):        H         8.882         8.882         8.269         0.613
RESID 858 (E):        N       114.094       114.094       118.975        -4.881
RESID 858 (E):       HA         4.024         4.024         4.036        -0.012
RESID 858 (E):       CA        58.682        58.682        58.765        -0.083
RESID 858 (E):       CB        28.639        28.639        29.027        -0.388
RESID 858 (E):        H         8.155         8.155         7.934         0.221
RESID 859 (Y):        N       120.665       120.665       122.347        -1.682
RESID 859 (Y):       HA         4.084         4.084         4.179        -0.095
RESID 859 (Y):       CA        61.006        61.006        60.833         0.173
RESID 859 (Y):       CB        38.687        38.687        38.145         0.542
RESID 859 (Y):        H         7.708         7.708         8.275        -0.567
RESID 860 (C):        N       115.812       115.812       117.399        -1.587
RESID 860 (C):       HA         4.158         4.158         3.448         0.710
RESID 860 (C):       CA        64.254        64.254        63.855         0.399
RESID 860 (C):       CB        27.304        27.304        27.093         0.211
RESID 860 (C):        H         8.113         8.113         7.923         0.190
RESID 861 (I):        N       120.078       120.078       120.097        -0.019
RESID 861 (I):       HA         3.339         3.339         3.667        -0.328
RESID 861 (I):       CA        65.643        65.643        65.416         0.227
RESID 861 (I):       CB        38.714        38.714        37.709         1.006
RESID 861 (I):        H         8.453         8.453         8.016         0.437
RESID 862 (A):        N       116.691       116.691       122.758        -6.067
RESID 862 (A):       HA         4.209         4.209         4.080         0.129
RESID 862 (A):       CA        53.222        53.222        55.153        -1.931
RESID 862 (A):       CB        19.002        19.002        18.747         0.255
RESID 862 (A):        H         7.307         7.307         8.436        -1.129
RESID 863 (R):        N       117.226       117.226       116.121         1.105
RESID 863 (R):       HA         4.274         4.274         4.379        -0.105
RESID 863 (R):       CA        56.051        56.051        56.792        -0.741
RESID 863 (R):       CB        31.389        31.389        30.631         0.758
RESID 863 (R):        H         7.358         7.358         7.600        -0.242
RESID 864 (M):        N       117.583       117.583       118.472        -0.889
RESID 864 (M):       HA         4.561         4.561         4.393         0.168
RESID 864 (M):       CA        54.927        54.927        55.842        -0.915
RESID 864 (M):       CB        37.418        37.418        34.450         2.968
RESID 864 (M):        H         7.153         7.153         7.372        -0.219
RESID 865 (A):        N       124.643       124.643       125.564        -0.921
RESID 865 (A):       HA         3.866         3.866         4.651        -0.785
RESID 865 (A):       CA        49.194        49.194        49.665        -0.471
RESID 865 (A):       CB        18.647        18.647        18.624         0.023
RESID 865 (A):        H         8.557         8.557         8.143         0.414
RESID 866 (P):       HA         4.496         4.496         4.550        -0.054
RESID 866 (P):       CA        62.724        62.724        62.844        -0.120
RESID 866 (P):       CB        31.980        31.980        30.400         1.580
RESID 867 (Y):        N       122.461       122.461       126.538        -4.077
RESID 867 (Y):       HA         4.728         4.728         4.469         0.259
RESID 867 (Y):       CA        57.096        57.096        57.675        -0.579
RESID 867 (Y):       CB        39.175        39.175        39.165         0.010
RESID 867 (Y):        H         8.128         8.128         8.193        -0.065
RESID 868 (T):       HA         4.351         4.351         4.481        -0.130
RESID 868 (T):       CA        60.271        60.271        60.797        -0.526
RESID 868 (T):       CB        68.737        68.737        71.078        -2.341
RESID 869 (G):       CA        44.914        44.914        45.189        -0.275
RESID 870 (P):       HA         4.329         4.329         4.475        -0.146
RESID 870 (P):       CA        64.697        64.697        63.875         0.822
RESID 870 (P):       CB        31.579        31.579        31.959        -0.380
RESID 871 (D):        N       116.207       116.207       117.330        -1.123
RESID 871 (D):       HA         4.604         4.604         4.625        -0.021
RESID 871 (D):       CA        52.749        52.749        54.677        -1.928
RESID 871 (D):       CB        38.929        38.929        40.727        -1.798
RESID 871 (D):        H         9.267         9.267         8.304         0.963
RESID 872 (S):        N       112.349       112.349       115.983        -3.634
RESID 872 (S):       HA         3.497         3.497         4.169        -0.672
RESID 872 (S):       CA        59.065        59.065        57.903         1.162
RESID 872 (S):       CB        63.125        63.125        64.466        -1.341
RESID 872 (S):        H         7.487         7.487         7.473         0.014
RESID 873 (V):        N       113.567       113.567       113.907        -0.340
RESID 873 (V):       HA         4.729         4.729         4.577         0.152
RESID 873 (V):       CA        58.044        58.044        57.753         0.291
RESID 873 (V):       CB        32.911        32.911        33.145        -0.234
RESID 873 (V):        H         6.411         6.411         7.916        -1.505
RESID 874 (P):       HA         4.296         4.296         4.446        -0.150
RESID 874 (P):       CA        64.335        64.335        63.493         0.841
RESID 874 (P):       CB        31.515        31.515        31.980        -0.465
RESID 875 (G):        N       112.118       112.118       110.657         1.461
RESID 875 (G):       CA        45.557        45.557        45.087         0.470
RESID 875 (G):        H         8.800         8.800         8.551         0.249
RESID 876 (A):        N       120.262       120.262       122.577        -2.315
RESID 876 (A):       HA         4.100         4.100         5.638        -1.538
RESID 876 (A):       CA        53.073        53.073        50.580         2.493
RESID 876 (A):       CB        20.508        20.508        21.980        -1.472
RESID 876 (A):        H         7.762         7.762         7.779        -0.017
RESID 877 (L):        N       125.695       125.695       121.044         4.651
RESID 877 (L):       HA         4.776         4.776         5.268        -0.492
RESID 877 (L):       CA        54.269        54.269        53.743         0.526
RESID 877 (L):       CB        44.799        44.799        47.133        -2.334
RESID 877 (L):        H         9.595         9.595         9.312         0.283
RESID 878 (D):        N       119.823       119.823       121.408        -1.585
RESID 878 (D):       HA         4.879         4.879         4.443         0.436
RESID 878 (D):       CA        51.997        51.997        52.167        -0.170
RESID 878 (D):       CB        40.781        40.781        41.309        -0.528
RESID 878 (D):        H         9.031         9.031         8.221         0.810
RESID 879 (Y):        N       126.556       126.556       123.534         3.022
RESID 879 (Y):       HA         4.591         4.591         3.849         0.742
RESID 879 (Y):       CA        59.396        59.396        59.576        -0.180
RESID 879 (Y):       CB        37.321        37.321        37.290         0.031
RESID 879 (Y):        H         7.456         7.456         7.832        -0.376
RESID 880 (M):        N       119.958       119.958       114.508         5.450
RESID 880 (M):       HA         4.605         4.605         4.711        -0.106
RESID 880 (M):       CA        56.044        56.044        57.110        -1.066
RESID 880 (M):       CB        30.101        30.101        33.226        -3.125
RESID 880 (M):        H         7.627         7.627         7.327         0.300
RESID 881 (S):        N       114.328       114.328       115.810        -1.482
RESID 881 (S):       HA         4.471         4.471         4.596        -0.125
RESID 881 (S):       CA        58.917        58.917        57.073         1.844
RESID 881 (S):       CB        64.447        64.447        63.688         0.759
RESID 881 (S):        H         7.726         7.726         7.939        -0.213
RESID 882 (F):        N       122.735       122.735       119.835         2.900
RESID 882 (F):       HA         4.722         4.722         4.331         0.391
RESID 882 (F):       CA        59.231        59.231        57.426         1.805
RESID 882 (F):       CB        40.285        40.285        38.988         1.297
RESID 882 (F):        H         7.385         7.385         7.298         0.087
RESID 883 (S):        N       120.156       120.156       116.496         3.660
RESID 883 (S):       HA         4.299         4.299         4.392        -0.093
RESID 883 (S):       CA        57.280        57.280        57.608        -0.328
RESID 883 (S):       CB        64.601        64.601        63.432         1.169
RESID 883 (S):        H         7.472         7.472         8.617        -1.145
RESID 884 (T):        N       110.683       110.683       122.827       -12.144
RESID 884 (T):       HA         3.966         3.966         4.185        -0.219
RESID 884 (T):       CA        63.465        63.465        63.435         0.030
RESID 884 (T):       CB        68.899        68.899        68.400         0.499
RESID 884 (T):        H         7.996         7.996         8.616        -0.620
RESID 885 (A):        N       125.456       125.456       122.845         2.611
RESID 885 (A):       HA         4.236         4.236         4.385        -0.149
RESID 885 (A):       CA        52.030        52.030        51.435         0.595
RESID 885 (A):       CB        19.225        19.225        19.032         0.193
RESID 885 (A):        H         7.905         7.905         7.551         0.354
RESID 886 (L):        N       120.638       120.638       117.750         2.888
RESID 886 (L):       HA         4.002         4.002         3.771         0.231
RESID 886 (L):       CA        55.462        55.462        56.215        -0.753
RESID 886 (L):       CB        42.265        42.265        40.628         1.637
RESID 886 (L):        H         8.079         8.079         7.318         0.761
RESID 887 (Y):        N       121.526       121.526       116.986         4.540
RESID 887 (Y):       HA         4.356         4.356         4.602        -0.246
RESID 887 (Y):       CA        58.750        58.750        57.424         1.326
RESID 887 (Y):       CB        38.569        38.569        37.426         1.143
RESID 887 (Y):        H         8.267         8.267         7.694         0.573
RESID 888 (G):        N       112.379       112.379       107.962         4.417
RESID 888 (G):       CA        45.090        45.090        44.876         0.214
RESID 888 (G):        H         8.087         8.087         7.231         0.856
RESID 889 (E):        N       120.255       120.255       120.666        -0.411
RESID 889 (E):       HA         4.256         4.256         4.491        -0.235
RESID 889 (E):       CA        56.445        56.445        56.874        -0.429
RESID 889 (E):       CB        30.393        30.393        30.173         0.220
RESID 889 (E):        H         7.994         7.994         8.830        -0.836
RESID 890 (S):        N       116.375       116.375       113.451         2.924
RESID 890 (S):       HA         4.415         4.415         4.686        -0.271
RESID 890 (S):       CA        58.204        58.204        57.071         1.133
RESID 890 (S):       CB        63.913        63.913        65.547        -1.634
RESID 890 (S):        H         8.329         8.329         7.549         0.780
RESID 891 (D):        N       123.017       123.017       119.873         3.144
RESID 891 (D):       HA         4.610         4.610         4.820        -0.210
RESID 891 (D):       CA        54.371        54.371        54.328         0.042
RESID 891 (D):       CB        41.013        41.013        41.053        -0.040
RESID 891 (D):        H         8.394         8.394         8.453        -0.059

                         N          HA           C          CA          CB           H
RESID 743 (I):      -0.503       0.379       -----      -1.679       0.244       0.645
RESID 744 (S):       2.361      -0.174       -----      -0.202       0.413       0.365
RESID 745 (Q):      -0.563      -0.167       -----      -0.614      -0.093       0.124
RESID 746 (E):      -0.279      -0.189       -----       1.718      -0.542       0.296
RESID 747 (Q):       0.268      -0.586       -----      -0.531       0.746      -0.607
RESID 748 (M):       4.291      -0.280       -----      -0.947      -1.417       0.230
RESID 749 (N):      -1.044      -0.043       -----      -0.234      -1.585       0.392
RESID 750 (E):       2.970       0.060       -----       0.795      -0.318      -0.553
RESID 751 (F):      -3.177       0.701       -----      -1.079      -1.570       0.247
RESID 752 (R):       1.137       0.298       -----       1.967       1.254       1.020
RESID 753 (A):      -0.819      -0.291       -----       1.159      -0.368       0.481
RESID 754 (S):       0.320       0.270       -----       2.784       0.536       0.360
RESID 755 (F):       2.183      -0.425       -----       1.527       0.956       1.302
RESID 756 (N):       0.382       0.422       -----       2.638      -0.430       1.113
RESID 757 (H):      -1.658      -0.176       -----      -0.100      -0.175       0.628
RESID 758 (F):      -3.564      -0.569       -----       2.275      -1.891      -0.045
RESID 759 (D):      -0.583       0.039       -----      -2.837      -2.648      -0.515
RESID 760 (R):      -1.081      -0.326       -----      -0.327      -0.411      -0.524
RESID 761 (D):       0.404      -0.228       -----      -1.449      -1.123      -0.277
RESID 762 (H):      -1.880      -0.080       -----      -0.321      -2.536      -0.155
RESID 763 (S):       1.161      -0.032       -----       0.108       1.079       0.066
RESID 764 (G):       6.245       -----       -----       0.129       -----       2.150
RESID 765 (T):      -2.584      -0.335       -----      -1.497       1.190      -0.376
RESID 766 (L):       0.907       0.183       -----      -1.280      -0.768       0.550
RESID 767 (G):      -0.089       -----       -----       0.290       -----      -0.029
RESID 768 (P):       -----      -0.207       -----       0.862      -0.004       -----
RESID 769 (E):      -2.453      -0.089       -----       0.688      -0.112      -0.366
RESID 770 (E):       2.895       0.024       -----       0.012       1.462      -0.589
RESID 771 (F):      -4.384       0.077       -----      -2.013      -0.632       0.128
RESID 772 (K):       1.186      -0.391       -----       2.320       1.056       0.558
RESID 773 (A):      -2.213      -0.097       -----       1.292      -1.211      -0.259
RESID 774 (C):       1.607      -0.809       -----      -0.631      -1.069      -0.156
RESID 775 (L):       0.580       0.176       -----       1.565      -0.272       0.850
RESID 776 (I):       2.646       1.653       -----       1.014       0.771       1.708
RESID 777 (S):       6.037       0.135       -----       2.129      -0.262       0.503
RESID 778 (L):       3.613       0.151       -----       1.395       0.512       0.668
RESID 779 (G):      -0.982       -----       -----       0.224       -----       0.577
RESID 780 (Y):       1.408      -0.410       -----       4.227      -0.258       0.579
RESID 781 (D):       6.457      -0.037       -----      -0.331      -0.613      -0.224
RESID 782 (I):       9.560      -0.085       -----      -0.077      -2.700       0.423
RESID 783 (G):       6.449       -----       -----       0.009       -----      -0.076
RESID 784 (N):       1.021       0.069       -----      -0.996      -1.454      -0.189
RESID 785 (D):      -0.703       0.094       -----      -0.762      -1.458       0.498
RESID 786 (P):       -----       0.032       -----       1.016      -0.137       -----
RESID 787 (Q):       0.678      -0.093       -----       1.101      -0.773       0.132
RESID 788 (G):       4.803       -----       -----       0.755       -----       0.235
RESID 789 (E):      -0.598      -0.107       -----      -0.296      -0.009      -0.003
RESID 790 (A):       0.543       0.057       -----      -0.249      -0.614       0.489
RESID 791 (E):       3.348       0.584       -----      -0.480      -0.389       0.660
RESID 792 (F):      -1.613      -0.141       -----       0.483       0.135      -0.157
RESID 793 (A):      -1.557       0.578       -----       0.450      -0.253       0.348
RESID 794 (R):       1.701      -0.085       -----       0.394      -0.112       0.271
RESID 795 (I):       0.469      -0.333       -----       0.583      -0.054      -0.301
RESID 796 (M):       0.969       0.218       -----      -1.955      -1.866       0.376
RESID 797 (S):       1.245      -0.226       -----       0.913      -1.069       0.099
RESID 798 (I):       5.461      -0.302       -----       1.053       0.149      -0.304
RESID 799 (V):      -1.781       0.204       -----       1.155       0.965      -0.111
RESID 800 (D):      -0.791       0.147       -----       1.508      -0.730       0.213
RESID 801 (P):       -----      -0.114       -----       0.835      -0.098       -----
RESID 802 (N):      -0.578       0.013       -----       0.374      -2.061       1.403
RESID 803 (R):       0.869      -0.230       -----       0.012      -0.685      -0.032
RESID 804 (L):       6.493      -0.500       -----       1.853       1.298       2.523
RESID 805 (G):       2.985       -----       -----      -0.429       -----       2.709
RESID 806 (V):      -3.976       0.297       -----      -0.795       1.469      -0.235
RESID 807 (V):       0.164      -0.240       -----       0.234       0.460       0.196
RESID 808 (T):      -1.042      -0.031       -----       2.034      -0.522       0.351
RESID 809 (F):       1.940      -0.794       -----       0.371       0.718       1.173
RESID 810 (Q):       0.036      -0.562       -----       0.626      -0.300       0.768
RESID 811 (A):      -0.811      -0.086       -----       1.218       0.457      -0.027
RESID 812 (F):       1.073      -0.349       -----      -0.730       1.146       0.141
RESID 813 (I):      -0.046      -0.910       -----       0.537      -0.170       0.525
RESID 814 (D):       3.015      -0.173       -----      -0.069      -0.555       0.315
RESID 815 (F):       0.736      -0.243       -----       0.277       0.243      -0.003
RESID 816 (M):      -1.525      -0.380       -----      -1.113      -1.968       0.133
RESID 817 (S):       1.118      -0.134       -----       0.752      -0.067      -0.272
RESID 818 (R):      -0.135       0.010       -----      -0.772       0.776      -0.835
RESID 819 (E):       0.296       0.040       -----      -1.821       1.482       0.347
RESID 820 (T):       2.910       0.327       -----      -0.996       0.869       0.400
RESID 821 (A):       1.242      -0.113       -----       1.867      -1.037       0.312
RESID 822 (D):      -3.505       0.235       -----      -0.643      -0.781      -0.133
RESID 823 (T):      -3.289      -0.318       -----       1.288      -1.905      -0.154
RESID 824 (D):       0.526       0.217       -----      -2.458       0.033      -0.447
RESID 825 (T):       2.600      -0.052       -----      -1.156       0.955      -0.262
RESID 826 (A):       0.722       0.156       -----      -0.301       0.152       0.836
RESID 827 (D):      -0.105       0.090       -----      -1.094      -0.383       0.323
RESID 828 (Q):       2.532       0.026       -----      -0.409      -0.303       0.401
RESID 829 (V):       0.221      -0.281       -----       1.009      -0.521       0.730
RESID 830 (M):       1.052       0.075       -----       0.041       0.155      -0.101
RESID 831 (A):      -0.115       0.567       -----       0.167       0.573       0.525
RESID 832 (S):      -1.541       0.152       -----      -0.364      -0.246       0.144
RESID 833 (F):       2.547      -0.435       -----       1.016       0.770       0.025
RESID 834 (K):      -1.832      -0.009       -----       1.163       0.213      -0.074
RESID 835 (I):      -1.113      -0.011       -----      -0.751       0.001       0.195
RESID 836 (L):       2.246       0.161       -----      -0.355       0.586      -0.501
RESID 837 (A):       0.591       0.008       -----      -0.723       0.487       0.661
RESID 838 (G):       0.198       -----       -----       0.161       -----      -0.587
RESID 839 (D):      -1.941      -0.362       -----       1.322      -1.229       0.624
RESID 840 (K):      -2.474      -0.228       -----       0.314      -0.048       0.149
RESID 841 (N):       0.368      -0.055       -----      -0.055       0.053      -0.143
RESID 842 (Y):      -2.197       0.136       -----      -1.077       0.012      -0.663
RESID 843 (I):      -6.348       0.253       -----       0.692       0.139      -0.609
RESID 844 (T):      -1.348       0.151       -----      -0.435       0.458       0.043
RESID 845 (M):      -0.425      -0.219       -----      -0.134       0.726      -0.266
RESID 846 (D):      -0.758      -0.202       -----       1.246       0.320      -0.312
RESID 847 (E):       2.231      -0.343       -----       1.220      -0.518       0.132
RESID 848 (L):      -1.513      -0.296       -----       1.063       0.241       0.278
RESID 849 (R):      -1.184      -0.569       -----       1.600       0.982       0.282
RESID 850 (R):      -0.034      -0.239       -----       0.797      -0.760      -0.208
RESID 851 (E):      -2.714      -0.058       -----      -0.179      -0.371      -0.170
RESID 852 (L):      -2.094      -0.460       -----       0.727       0.346      -0.037
RESID 853 (P):       -----      -0.133       -----       1.161       1.419       -----
RESID 854 (P):       -----      -0.270       -----       4.415      -0.901       -----
RESID 855 (D):      -4.147       0.064       -----      -0.640      -0.882       0.498
RESID 856 (Q):       2.580      -0.071       -----      -1.286       1.078      -1.051
RESID 857 (A):       0.878      -0.209       -----       0.596      -0.226       0.613
RESID 858 (E):      -4.881      -0.012       -----      -0.083      -0.388       0.221
RESID 859 (Y):      -1.682      -0.095       -----       0.173       0.542      -0.567
RESID 860 (C):      -1.587       0.710       -----       0.399       0.211       0.190
RESID 861 (I):      -0.019      -0.328       -----       0.227       1.006       0.437
RESID 862 (A):      -6.067       0.129       -----      -1.931       0.255      -1.129
RESID 863 (R):       1.105      -0.105       -----      -0.741       0.758      -0.242
RESID 864 (M):      -0.889       0.168       -----      -0.915       2.968      -0.219
RESID 865 (A):      -0.921      -0.785       -----      -0.471       0.023       0.414
RESID 866 (P):       -----      -0.054       -----      -0.120       1.580       -----
RESID 867 (Y):      -4.077       0.259       -----      -0.579       0.010      -0.065
RESID 868 (T):       -----      -0.130       -----      -0.526      -2.341       -----
RESID 869 (G):       -----       -----       -----      -0.275       -----       -----
RESID 870 (P):       -----      -0.146       -----       0.822      -0.380       -----
RESID 871 (D):      -1.123      -0.021       -----      -1.928      -1.798       0.963
RESID 872 (S):      -3.634      -0.672       -----       1.162      -1.341       0.014
RESID 873 (V):      -0.340       0.152       -----       0.291      -0.234      -1.505
RESID 874 (P):       -----      -0.150       -----       0.841      -0.465       -----
RESID 875 (G):       1.461       -----       -----       0.470       -----       0.249
RESID 876 (A):      -2.315      -1.538       -----       2.493      -1.472      -0.017
RESID 877 (L):       4.651      -0.492       -----       0.526      -2.334       0.283
RESID 878 (D):      -1.585       0.436       -----      -0.170      -0.528       0.810
RESID 879 (Y):       3.022       0.742       -----      -0.180       0.031      -0.376
RESID 880 (M):       5.450      -0.106       -----      -1.066      -3.125       0.300
RESID 881 (S):      -1.482      -0.125       -----       1.844       0.759      -0.213
RESID 882 (F):       2.900       0.391       -----       1.805       1.297       0.087
RESID 883 (S):       3.660      -0.093       -----      -0.328       1.169      -1.145
RESID 884 (T):     -12.144      -0.219       -----       0.030       0.499      -0.620
RESID 885 (A):       2.611      -0.149       -----       0.595       0.193       0.354
RESID 886 (L):       2.888       0.231       -----      -0.753       1.637       0.761
RESID 887 (Y):       4.540      -0.246       -----       1.326       1.143       0.573
RESID 888 (G):       4.417       -----       -----       0.214       -----       0.856
RESID 889 (E):      -0.411      -0.235       -----      -0.429       0.220      -0.836
RESID 890 (S):       2.924      -0.271       -----       1.133      -1.634       0.780
RESID 891 (D):       3.144      -0.210       -----       0.042      -0.040      -0.059

DATA CS_STAT_INFO  N  RMS:   2.879 ppm Count: 139 Average Difference: -0.327 +/- 2.871 ppm
DATA CS_STAT_INFO  HA RMS:   0.361 ppm Count: 160 Average Difference:  0.041 +/- 0.360 ppm
DATA CS_STAT_INFO  C  RMS:   0.000 ppm Count:   0 Average Difference:  0.000 +/- 0.000 ppm
DATA CS_STAT_INFO  CA RMS:   1.191 ppm Count: 150 Average Difference: -0.231 +/- 1.172 ppm
DATA CS_STAT_INFO  CB RMS:   1.031 ppm Count: 140 Average Difference:  0.144 +/- 1.025 ppm
DATA CS_STAT_INFO  HN RMS:   0.641 ppm Count: 139 Average Difference: -0.176 +/- 0.618 ppm