For BMRB entry 19422:

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

                   Atom      Original     Corrected        SPARTA    Difference
RESID 112 (I):        N       120.180       120.180       121.390        -1.210
RESID 112 (I):       HA         4.320         4.320         4.279         0.041
RESID 112 (I):        C       176.436       176.436       176.306         0.130
RESID 112 (I):       CA        61.350        61.350        61.324         0.026
RESID 112 (I):       CB        38.688        38.688        36.686         2.002
RESID 112 (I):        H         8.735         8.735         8.518         0.217
RESID 113 (N):        N       125.593       125.593       128.052        -2.459
RESID 113 (N):       HA         4.915         4.915         4.942        -0.027
RESID 113 (N):        C       174.326       174.326       173.776         0.550
RESID 113 (N):       CA        52.993        52.993        53.146        -0.153
RESID 113 (N):       CB        37.402        37.402        38.358        -0.956
RESID 113 (N):        H         8.939         8.939         9.048        -0.109
RESID 114 (L):        N       120.224       120.224       123.688        -3.464
RESID 114 (L):       HA         4.943         4.943         4.797         0.146
RESID 114 (L):        C       176.954       176.954       175.139         1.815
RESID 114 (L):       CA        53.421        53.421        53.568        -0.146
RESID 114 (L):       CB        46.761        46.761        46.535         0.226
RESID 114 (L):        H         7.667         7.667         7.762        -0.095
RESID 115 (T):        N       114.226       114.226       111.351         2.875
RESID 115 (T):       HA         4.661         4.661         4.700        -0.039
RESID 115 (T):       CA        60.696        60.696        59.056         1.640
RESID 115 (T):       CB        67.843        67.843        69.327        -1.484
RESID 115 (T):        H         9.357         9.357         8.007         1.350
RESID 116 (P):       HA         4.150         4.150         3.844         0.306
RESID 116 (P):        C       179.425       179.425       178.347         1.078
RESID 116 (P):       CA        66.423        66.423        66.132         0.291
RESID 116 (P):       CB        31.661        31.661        31.818        -0.157
RESID 117 (E):        N       116.894       116.894       115.622         1.272
RESID 117 (E):       HA         4.117         4.117         4.319        -0.202
RESID 117 (E):        C       179.580       179.580       178.668         0.912
RESID 117 (E):       CA        60.388        60.388        59.049         1.339
RESID 117 (E):       CB        28.810        28.810        29.063        -0.253
RESID 117 (E):        H         8.731         8.731         8.621         0.110
RESID 118 (E):        N       120.845       120.845       119.591         1.254
RESID 118 (E):       HA         4.011         4.011         4.100        -0.089
RESID 118 (E):        C       178.520       178.520       178.769        -0.249
RESID 118 (E):       CA        58.955        58.955        58.249         0.706
RESID 118 (E):       CB        31.576        31.576        29.234         2.342
RESID 118 (E):        H         7.779         7.779         7.885        -0.106
RESID 119 (K):        N       117.419       117.419       120.284        -2.865
RESID 119 (K):       HA         3.741         3.741         4.007        -0.266
RESID 119 (K):        C       178.034       178.034       178.917        -0.883
RESID 119 (K):       CA        60.446        60.446        59.384         1.062
RESID 119 (K):       CB        32.524        32.524        31.738         0.786
RESID 119 (K):        H         8.723         8.723         8.331         0.392
RESID 120 (F):        N       117.618       117.618       116.013         1.605
RESID 120 (F):       HA         4.662         4.662         4.486         0.176
RESID 120 (F):       CA        60.444        60.444        59.624         0.820
RESID 120 (F):       CB        38.788        38.788        38.025         0.763
RESID 120 (F):        H         7.819         7.819         6.962         0.857
RESID 121 (E):        N       119.300       119.300       117.433         1.867
RESID 121 (E):       HA         3.793         3.793         4.154        -0.361
RESID 121 (E):        C       177.602       177.602       177.740        -0.138
RESID 121 (E):       CA        59.453        59.453        58.339         1.114
RESID 121 (E):       CB        29.815        29.815        29.538         0.277
RESID 121 (E):        H         7.898         7.898         7.870         0.028
RESID 122 (V):        N       112.645       112.645       116.891        -4.246
RESID 122 (V):       HA         3.939         3.939         3.889         0.050
RESID 122 (V):        C       177.072       177.072       175.917         1.155
RESID 122 (V):       CA        64.288        64.288        63.920         0.368
RESID 122 (V):       CB        33.050        33.050        32.451         0.599
RESID 122 (V):        H         7.668         7.668         7.337         0.331
RESID 123 (F):        N       116.335       116.335       116.974        -0.639
RESID 123 (F):       HA         5.020         5.020         4.779         0.241
RESID 123 (F):        C       177.796       177.796       176.381         1.415
RESID 123 (F):       CA        56.368        56.368        57.925        -1.557
RESID 123 (F):       CB        40.644        40.644        41.185        -0.541
RESID 123 (F):        H         8.632         8.632         8.070         0.562
RESID 124 (G):        N       112.227       112.227       108.639         3.588
RESID 124 (G):        C       174.159       174.159       173.956         0.203
RESID 124 (G):       CA        46.478        46.478        45.484         0.994
RESID 124 (G):        H         7.974         7.974         7.957         0.017
RESID 125 (D):        N       124.513       124.513       117.138         7.375
RESID 125 (D):       HA         4.613         4.613         4.409         0.204
RESID 125 (D):        C       175.890       175.890       175.188         0.702
RESID 125 (D):       CA        54.541        54.541        55.702        -1.161
RESID 125 (D):       CB        40.610        40.610        40.248         0.361
RESID 125 (D):        H         8.650         8.650         9.130        -0.480
RESID 126 (F):        N       121.949       121.949       121.604         0.345
RESID 126 (F):       HA         4.152         4.152         4.379        -0.227
RESID 126 (F):        C       173.533       173.533       174.297        -0.764
RESID 126 (F):       CA        58.831        58.831        58.584         0.247
RESID 126 (F):       CB        39.973        39.973        39.406         0.567
RESID 126 (F):        H         7.640         7.640         8.092        -0.452
RESID 127 (D):        N       125.341       125.341       127.694        -2.353
RESID 127 (D):       HA         4.908         4.908         4.472         0.436
RESID 127 (D):       CA        48.718        48.718        49.633        -0.915
RESID 127 (D):       CB        41.151        41.151        42.672        -1.521
RESID 127 (D):        H         7.764         7.764         7.602         0.162
RESID 128 (P):       HA         3.722         3.722         3.785        -0.063
RESID 128 (P):        C       179.160       179.160       177.573         1.587
RESID 128 (P):       CA        63.531        63.531        64.398        -0.867
RESID 128 (P):       CB        32.580        32.580        31.936         0.644
RESID 129 (D):        N       117.916       117.916       119.259        -1.343
RESID 129 (D):       HA         4.352         4.352         4.223         0.129
RESID 129 (D):        C       178.271       178.271       178.530        -0.259
RESID 129 (D):       CA        56.905        56.905        57.600        -0.695
RESID 129 (D):       CB        39.712        39.712        39.946        -0.234
RESID 129 (D):        H         7.758         7.758         8.166        -0.408
RESID 130 (Q):        N       116.475       116.475       118.372        -1.897
RESID 130 (Q):       HA         3.827         3.827         4.017        -0.190
RESID 130 (Q):        C       176.033       176.033       179.050        -3.017
RESID 130 (Q):       CA        57.050        57.050        58.602        -1.552
RESID 130 (Q):       CB        27.825        27.825        28.705        -0.880
RESID 130 (Q):        H         7.015         7.015         8.292        -1.277
RESID 131 (Y):        N       114.293       114.293       117.297        -3.004
RESID 131 (Y):       HA         4.716         4.716         4.379         0.337
RESID 131 (Y):        C       174.868       174.868       177.943        -3.075
RESID 131 (Y):       CA        57.346        57.346        56.594         0.752
RESID 131 (Y):       CB        39.648        39.648        36.903         2.745
RESID 131 (Y):        H         6.769         6.769         7.346        -0.577
RESID 132 (E):        N       119.006       119.006       121.202        -2.196
RESID 132 (E):       HA         3.928         3.928         3.978        -0.050
RESID 132 (E):        C       178.378       178.378       179.010        -0.632
RESID 132 (E):       CA        60.171        60.171        59.686         0.485
RESID 132 (E):       CB        30.065        30.065        28.930         1.135
RESID 132 (E):        H         6.833         6.833         8.571        -1.738
RESID 133 (E):        N       119.319       119.319       117.828         1.491
RESID 133 (E):       HA         4.022         4.022         4.025        -0.003
RESID 133 (E):        C       177.728       177.728       178.996        -1.268
RESID 133 (E):       CA        59.325        59.325        59.045         0.280
RESID 133 (E):       CB        28.294        28.294        28.985        -0.691
RESID 133 (E):        H         8.611         8.611         7.753         0.858
RESID 134 (E):        N       122.908       122.908       119.956         2.952
RESID 134 (E):       HA         3.826         3.826         4.054        -0.228
RESID 134 (E):        C       177.780       177.780       179.032        -1.252
RESID 134 (E):       CA        59.062        59.062        58.863         0.199
RESID 134 (E):       CB        28.532        28.532        29.209        -0.676
RESID 134 (E):        H         8.094         8.094         7.493         0.601
RESID 135 (V):        N       118.079       118.079       115.686         2.393
RESID 135 (V):       HA         3.342         3.342         3.296         0.046
RESID 135 (V):        C       177.633       177.633       177.572         0.061
RESID 135 (V):       CA        65.657        65.657        65.903        -0.245
RESID 135 (V):       CB        31.449        31.449        31.136         0.313
RESID 135 (V):        H         8.085         8.085         8.507        -0.422
RESID 136 (R):        N       117.865       117.865       120.704        -2.839
RESID 136 (R):       HA         3.125         3.125         4.109        -0.984
RESID 136 (R):        C       179.034       179.034       177.893         1.141
RESID 136 (R):       CA        59.253        59.253        59.267        -0.014
RESID 136 (R):       CB        29.856        29.856        29.635         0.221
RESID 136 (R):        H         7.456         7.456         7.729        -0.273
RESID 137 (E):        N       120.727       120.727       118.106         2.621
RESID 137 (E):       HA         3.714         3.714         4.121        -0.407
RESID 137 (E):        C       178.690       178.690       178.709        -0.019
RESID 137 (E):       CA        59.274        59.274        58.491         0.783
RESID 137 (E):       CB        29.360        29.360        29.464        -0.104
RESID 137 (E):        H         8.517         8.517         7.579         0.938
RESID 138 (R):        N       115.311       115.311       118.561        -3.250
RESID 138 (R):       HA         3.567         3.567         3.832        -0.265
RESID 138 (R):        C       178.897       178.897       178.047         0.850
RESID 138 (R):       CA        58.754        58.754        58.662         0.092
RESID 138 (R):       CB        29.960        29.960        30.048        -0.088
RESID 138 (R):        H         8.090         8.090         7.723         0.367
RESID 139 (W):        N       114.241       114.241       115.872        -1.631
RESID 139 (W):       HA         5.078         5.078         4.916         0.162
RESID 139 (W):        C       177.169       177.169       177.673        -0.504
RESID 139 (W):       CA        56.174        56.174        57.705        -1.531
RESID 139 (W):       CB        28.194        28.194        29.964        -1.770
RESID 139 (W):        H         7.805         7.805         7.832        -0.027
RESID 140 (G):        N       110.185       110.185       108.069         2.116
RESID 140 (G):        C       173.518       173.518       174.094        -0.576
RESID 140 (G):       CA        46.717        46.717        46.853        -0.136
RESID 140 (G):        H         7.639         7.639         8.262        -0.623
RESID 141 (N):        N       116.211       116.211       111.338         4.873
RESID 141 (N):       HA         5.069         5.069         4.686         0.383
RESID 141 (N):        C       175.838       175.838       174.291         1.547
RESID 141 (N):       CA        52.249        52.249        52.644        -0.395
RESID 141 (N):       CB        38.104        38.104        37.883         0.221
RESID 141 (N):        H         8.387         8.387         8.429        -0.042
RESID 142 (T):        N       110.347       110.347       115.498        -5.151
RESID 142 (T):       HA         4.704         4.704         4.498         0.206
RESID 142 (T):        C       175.832       175.832       174.430         1.402
RESID 142 (T):       CA        61.180        61.180        61.482        -0.302
RESID 142 (T):       CB        72.857        72.857        70.820         2.037
RESID 142 (T):        H         7.907         7.907         7.584         0.323
RESID 143 (D):        N       123.392       123.392       127.895        -4.503
RESID 143 (D):       HA         4.565         4.565         4.293         0.272
RESID 143 (D):        C       178.225       178.225       177.097         1.128
RESID 143 (D):       CA        57.387        57.387        57.580        -0.193
RESID 143 (D):       CB        40.346        40.346        40.784        -0.438
RESID 143 (D):        H         8.985         8.985         8.851         0.134
RESID 144 (A):        N       122.309       122.309       120.337         1.972
RESID 144 (A):       HA         3.963         3.963         2.990         0.973
RESID 144 (A):        C       179.688       179.688       178.482         1.206
RESID 144 (A):       CA        55.136        55.136        54.874         0.262
RESID 144 (A):       CB        17.566        17.566        17.231         0.335
RESID 144 (A):        H         8.476         8.476         7.882         0.594
RESID 145 (Y):        N       117.438       117.438       119.004        -1.566
RESID 145 (Y):       HA         4.283         4.283         4.213         0.070
RESID 145 (Y):        C       177.433       177.433       177.433         0.000
RESID 145 (Y):       CA        62.243        62.243        58.767         3.476
RESID 145 (Y):       CB        40.171        40.171        38.215         1.956
RESID 145 (Y):        H         8.432         8.432         7.580         0.852
RESID 146 (R):        N       119.518       119.518       118.521         0.997
RESID 146 (R):       HA         3.847         3.847         3.580         0.267
RESID 146 (R):        C       179.450       179.450       178.764         0.686
RESID 146 (R):       CA        60.242        60.242        59.621         0.621
RESID 146 (R):       CB        30.115        30.115        29.727         0.388
RESID 146 (R):        H         7.787         7.787         7.998        -0.211
RESID 147 (Q):        N       118.457       118.457       118.587        -0.130
RESID 147 (Q):       HA         4.101         4.101         4.067         0.034
RESID 147 (Q):        C       178.807       178.807       177.591         1.216
RESID 147 (Q):       CA        59.183        59.183        58.407         0.776
RESID 147 (Q):       CB        28.878        28.878        28.367         0.511
RESID 147 (Q):        H         8.960         8.960         8.149         0.811
RESID 148 (S):        N       115.758       115.758       116.298        -0.540
RESID 148 (S):       HA         4.979         4.979         4.176         0.803
RESID 148 (S):        C       178.074       178.074       176.796         1.278
RESID 148 (S):       CA        61.511        61.511        62.000        -0.489
RESID 148 (S):       CB        63.392        63.392        63.008         0.384
RESID 148 (S):        H         8.604         8.604         7.651         0.953
RESID 149 (K):        N       125.190       125.190       120.307         4.883
RESID 149 (K):       HA         4.022         4.022         3.987         0.035
RESID 149 (K):        C       178.788       178.788       179.053        -0.265
RESID 149 (K):       CA        58.707        58.707        59.486        -0.779
RESID 149 (K):       CB        31.465        31.465        32.282        -0.817
RESID 149 (K):        H         8.405         8.405         7.640         0.765
RESID 150 (E):        N       118.050       118.050       120.056        -2.006
RESID 150 (E):       HA         4.023         4.023         4.062        -0.039
RESID 150 (E):        C       179.065       179.065       178.543         0.522
RESID 150 (E):       CA        58.880        58.880        59.126        -0.245
RESID 150 (E):       CB        29.660        29.660        29.589         0.071
RESID 150 (E):        H         7.509         7.509         7.904        -0.395
RESID 151 (K):        N       118.439       118.439       115.370         3.069
RESID 151 (K):       HA         3.782         3.782         4.161        -0.379
RESID 151 (K):        C       178.865       178.865       178.930        -0.065
RESID 151 (K):       CA        59.365        59.365        58.663         0.702
RESID 151 (K):       CB        32.923        32.923        32.833         0.090
RESID 151 (K):        H         8.296         8.296         8.339        -0.043
RESID 152 (T):        N       106.470       106.470       116.179        -9.709
RESID 152 (T):       HA         4.407         4.407         3.513         0.894
RESID 152 (T):       CA        63.772        63.772        65.819        -2.047
RESID 152 (T):       CB        70.040        70.040        68.754         1.286
RESID 152 (T):        H         8.304         8.304         8.304         0.000
RESID 153 (A):        N       123.491       123.491       121.913         1.578
RESID 153 (A):       HA         4.252         4.252         4.163         0.089
RESID 153 (A):        C       178.775       178.775       178.582         0.193
RESID 153 (A):       CA        54.906        54.906        54.475         0.431
RESID 153 (A):       CB        18.604        18.604        18.403         0.201
RESID 153 (A):        H         7.318         7.318         7.695        -0.377
RESID 154 (S):        N       108.783       108.783       111.743        -2.960
RESID 154 (S):       HA         4.569         4.569         4.433         0.136
RESID 154 (S):        C       174.926       174.926       174.676         0.250
RESID 154 (S):       CA        57.983        57.983        58.554        -0.571
RESID 154 (S):        H         7.295         7.295         7.746        -0.451
RESID 155 (Y):        N       121.552       121.552       122.281        -0.729
RESID 155 (Y):       HA         5.148         5.148         4.683         0.465
RESID 155 (Y):        C       177.850       177.850       176.133         1.717
RESID 155 (Y):       CA        54.351        54.351        56.826        -2.475
RESID 155 (Y):       CB        36.657        36.657        37.817        -1.160
RESID 155 (Y):        H         7.129         7.129         7.830        -0.701
RESID 156 (T):        N       116.123       116.123       117.215        -1.092
RESID 156 (T):       HA         4.817         4.817         4.692         0.125
RESID 156 (T):        C       175.913       175.913       175.774         0.139
RESID 156 (T):       CA        60.021        60.021        59.506         0.515
RESID 156 (T):       CB        72.051        72.051        70.650         1.401
RESID 156 (T):        H         9.749         9.749         8.043         1.706
RESID 157 (K):        N       121.193       121.193       120.938         0.255
RESID 157 (K):       HA         3.874         3.874         4.175        -0.301
RESID 157 (K):        C       177.224       177.224       178.389        -1.165
RESID 157 (K):       CA        61.575        61.575        60.183         1.392
RESID 157 (K):       CB        31.986        31.986        32.489        -0.503
RESID 157 (K):        H         9.322         9.322         8.781         0.541
RESID 158 (E):        N       115.842       115.842       117.076        -1.234
RESID 158 (E):       HA         4.015         4.015         3.977         0.038
RESID 158 (E):        C       179.589       179.589       178.597         0.992
RESID 158 (E):       CA        59.880        59.880        59.430         0.450
RESID 158 (E):       CB        28.939        28.939        28.640         0.299
RESID 158 (E):        H         8.414         8.414         8.724        -0.310
RESID 159 (D):        N       119.833       119.833       120.394        -0.561
RESID 159 (D):       HA         4.145         4.145         4.237        -0.092
RESID 159 (D):        C       177.210       177.210       178.258        -1.048
RESID 159 (D):       CA        57.273        57.273        56.523         0.750
RESID 159 (D):       CB        40.562        40.562        39.715         0.847
RESID 159 (D):        H         7.341         7.341         7.333         0.008
RESID 160 (W):        N       117.696       117.696       121.155        -3.459
RESID 160 (W):       HA         4.227         4.227         4.311        -0.084
RESID 160 (W):        C       178.283       178.283       178.631        -0.348
RESID 160 (W):       CA        60.400        60.400        59.449         0.951
RESID 160 (W):       CB        29.643        29.643        29.592         0.051
RESID 160 (W):        H         7.892         7.892         7.372         0.520
RESID 161 (Q):        N       118.386       118.386       119.128        -0.742
RESID 161 (Q):       HA         3.841         3.841         3.857        -0.016
RESID 161 (Q):        C       177.368       177.368       177.934        -0.566
RESID 161 (Q):       CA        58.701        58.701        59.078        -0.377
RESID 161 (Q):       CB        28.879        28.879        28.272         0.607
RESID 161 (Q):        H         8.665         8.665         8.593         0.072
RESID 162 (R):        N       120.270       120.270       119.215         1.055
RESID 162 (R):       HA         4.039         4.039         4.039         0.000
RESID 162 (R):        C       178.441       178.441       179.017        -0.576
RESID 162 (R):       CA        59.688        59.688        59.191         0.497
RESID 162 (R):       CB        28.707        28.707        29.804        -1.097
RESID 162 (R):        H         7.530         7.530         7.548        -0.018
RESID 163 (I):        N       119.856       119.856       120.772        -0.916
RESID 163 (I):       HA         3.272         3.272         3.799        -0.527
RESID 163 (I):        C       179.233       179.233       178.213         1.020
RESID 163 (I):       CA        65.686        65.686        63.886         1.800
RESID 163 (I):       CB        38.278        38.278        37.604         0.674
RESID 163 (I):        H         7.971         7.971         7.675         0.296
RESID 164 (Q):        N       121.268       121.268       119.577         1.691
RESID 164 (Q):       HA         4.266         4.266         3.963         0.303
RESID 164 (Q):        C       178.794       178.794       178.847        -0.053
RESID 164 (Q):       CA        58.115        58.115        59.051        -0.936
RESID 164 (Q):       CB        29.475        29.475        27.773         1.702
RESID 164 (Q):        H         8.601         8.601         8.890        -0.289
RESID 165 (D):        N       122.162       122.162       118.215         3.947
RESID 165 (D):       HA         4.428         4.428         4.372         0.056
RESID 165 (D):        C       179.896       179.896       178.800         1.096
RESID 165 (D):       CA        57.546        57.546        57.447         0.099
RESID 165 (D):       CB        39.524        39.524        39.837        -0.313
RESID 165 (D):        H         8.711         8.711         8.716        -0.005
RESID 166 (E):        N       121.227       121.227       120.355         0.872
RESID 166 (E):       HA         3.956         3.956         4.109        -0.153
RESID 166 (E):        C       180.125       180.125       178.291         1.834
RESID 166 (E):       CA        59.288        59.288        59.017         0.271
RESID 166 (E):       CB        29.458        29.458        29.256         0.202
RESID 166 (E):        H         8.566         8.566         7.766         0.800
RESID 167 (A):        N       123.246       123.246       122.188         1.058
RESID 167 (A):       HA         4.255         4.255         3.817         0.438
RESID 167 (A):        C       180.675       180.675       179.243         1.432
RESID 167 (A):       CA        55.207        55.207        55.623        -0.416
RESID 167 (A):       CB        18.141        18.141        18.078         0.063
RESID 167 (A):        H         7.929         7.929         8.350        -0.421
RESID 168 (D):        N       120.476       120.476       118.993         1.483
RESID 168 (D):       HA         4.441         4.441         4.277         0.164
RESID 168 (D):        C       178.499       178.499       178.254         0.245
RESID 168 (D):       CA        57.433        57.433        57.242         0.191
RESID 168 (D):       CB        40.758        40.758        40.603         0.155
RESID 168 (D):        H         8.670         8.670         8.451         0.219
RESID 169 (E):        N       120.325       120.325       120.351        -0.026
RESID 169 (E):       HA         4.041         4.041         4.014         0.027
RESID 169 (E):        C       178.994       178.994       178.881         0.113
RESID 169 (E):       CA        59.375        59.375        59.032         0.343
RESID 169 (E):       CB        28.864        28.864        29.357        -0.493
RESID 169 (E):        H         8.079         8.079         7.943         0.136
RESID 170 (L):        N       120.582       120.582       118.892         1.690
RESID 170 (L):       HA         4.131         4.131         4.015         0.116
RESID 170 (L):        C       179.013       179.013       178.687         0.326
RESID 170 (L):       CA        58.045        58.045        57.751         0.294
RESID 170 (L):       CB        41.675        41.675        41.714        -0.039
RESID 170 (L):        H         7.615         7.615         8.372        -0.757
RESID 171 (T):        N       118.834       118.834       116.020         2.814
RESID 171 (T):       HA         4.036         4.036         3.842         0.194
RESID 171 (T):        C       175.899       175.899       176.816        -0.917
RESID 171 (T):       CA        68.163        68.163        66.413         1.750
RESID 171 (T):       CB        68.338        68.338        68.199         0.139
RESID 171 (T):        H         8.815         8.815         8.134         0.681
RESID 172 (R):        N       118.894       118.894       121.674        -2.780
RESID 172 (R):       HA         3.885         3.885         3.937        -0.052
RESID 172 (R):        C       179.660       179.660       178.944         0.716
RESID 172 (R):       CA        60.269        60.269        60.172         0.097
RESID 172 (R):       CB        29.990        29.990        30.070        -0.080
RESID 172 (R):        H         8.249         8.249         8.584        -0.335
RESID 173 (R):        N       120.681       120.681       118.772         1.909
RESID 173 (R):       HA         4.030         4.030         4.225        -0.195
RESID 173 (R):        C       179.645       179.645       178.920         0.725
RESID 173 (R):       CA        59.615        59.615        59.135         0.480
RESID 173 (R):       CB        30.566        30.566        29.747         0.819
RESID 173 (R):        H         7.961         7.961         8.031        -0.070
RESID 174 (F):        N       118.546       118.546       120.482        -1.936
RESID 174 (F):       HA         4.292         4.292         4.352        -0.060
RESID 174 (F):        C       178.154       178.154       178.154         0.000
RESID 174 (F):       CA        63.590        63.590        60.706         2.884
RESID 174 (F):       CB        40.383        40.383        38.282         2.101
RESID 174 (F):        H         8.548         8.548         8.131         0.417
RESID 175 (V):        N       118.935       118.935       120.304        -1.369
RESID 175 (V):       HA         3.373         3.373         3.840        -0.467
RESID 175 (V):        C       177.099       177.099       178.533        -1.434
RESID 175 (V):       CA        67.334        67.334        66.989         0.345
RESID 175 (V):       CB        31.745        31.745        31.287         0.458
RESID 175 (V):        H         8.770         8.770         8.871        -0.101
RESID 176 (A):        N       120.243       120.243       122.323        -2.080
RESID 176 (A):       HA         4.162         4.162         4.099         0.063
RESID 176 (A):        C       181.643       181.643       179.224         2.419
RESID 176 (A):       CA        55.105        55.105        55.268        -0.163
RESID 176 (A):       CB        17.765        17.765        18.648        -0.883
RESID 176 (A):        H         7.967         7.967         7.865         0.102
RESID 177 (L):        N       121.411       121.411       115.749         5.662
RESID 177 (L):       HA         3.938         3.938         4.470        -0.532
RESID 177 (L):        C       178.694       178.694       178.545         0.149
RESID 177 (L):       CA        58.611        58.611        57.523         1.088
RESID 177 (L):       CB        41.513        41.513        42.090        -0.577
RESID 177 (L):        H         7.634         7.634         8.042        -0.408
RESID 178 (M):        N       118.652       118.652       119.996        -1.344
RESID 178 (M):       HA         3.564         3.564         3.701        -0.137
RESID 178 (M):        C       181.569       181.569       178.158         3.411
RESID 178 (M):       CA        59.718        59.718        57.922         1.796
RESID 178 (M):       CB        33.450        33.450        31.199         2.251
RESID 178 (M):        H         7.940         7.940         8.828        -0.888
RESID 179 (D):        N       121.310       121.310       121.492        -0.182
RESID 179 (D):       HA         4.371         4.371         4.339         0.032
RESID 179 (D):        C       177.730       177.730       177.819        -0.089
RESID 179 (D):       CA        56.932        56.932        56.656         0.276
RESID 179 (D):       CB        39.826        39.826        39.836        -0.010
RESID 179 (D):        H         9.022         9.022         8.370         0.652
RESID 180 (A):        N       120.199       120.199       120.116         0.083
RESID 180 (A):       HA         4.357         4.357         4.230         0.127
RESID 180 (A):        C       177.935       177.935       178.172        -0.237
RESID 180 (A):       CA        52.276        52.276        52.323        -0.047
RESID 180 (A):       CB        19.028        19.028        18.413         0.615
RESID 180 (A):        H         7.667         7.667         7.670        -0.003
RESID 181 (G):        N       107.115       107.115       106.397         0.718
RESID 181 (G):        C       175.650       175.650       174.405         1.245
RESID 181 (G):       CA        45.480        45.480        44.921         0.559
RESID 181 (G):        H         7.916         7.916         7.863         0.053
RESID 182 (E):        N       120.055       120.055       121.492        -1.437
RESID 182 (E):       HA         4.701         4.701         4.641         0.060
RESID 182 (E):       CA        54.158        54.158        53.244         0.914
RESID 182 (E):       CB        28.461        28.461        30.460        -1.999
RESID 182 (E):        H         7.887         7.887         7.626         0.261
RESID 183 (P):       HA         4.729         4.729         4.517         0.212
RESID 183 (P):        C       177.156       177.156       176.829         0.327
RESID 183 (P):       CA        62.595        62.595        62.972        -0.377
RESID 183 (P):       CB        33.002        33.002        32.332         0.670
RESID 184 (A):        N       124.966       124.966       123.591         1.375
RESID 184 (A):       HA         3.372         3.372         3.792        -0.420
RESID 184 (A):        C       173.383       173.383       178.068        -4.685
RESID 184 (A):       CA        54.234        54.234        53.758         0.476
RESID 184 (A):       CB        19.100        19.100        18.255         0.846
RESID 184 (A):        H         9.082         9.082         8.527         0.555
RESID 185 (D):        N       107.028       107.028       115.688        -8.660
RESID 185 (D):       HA         4.474         4.474         4.614        -0.140
RESID 185 (D):        C       176.790       176.790       175.942         0.848
RESID 185 (D):       CA        50.914        50.914        52.615        -1.701
RESID 185 (D):       CB        39.354        39.354        40.404        -1.050
RESID 185 (D):        H         7.364         7.364         8.303        -0.939
RESID 186 (S):        N       113.421       113.421       116.122        -2.701
RESID 186 (S):       HA         4.328         4.328         4.475        -0.147
RESID 186 (S):        C       174.699       174.699       175.801        -1.102
RESID 186 (S):       CA        57.769        57.769        59.194        -1.425
RESID 186 (S):       CB        65.781        65.781        64.391         1.390
RESID 186 (S):        H         7.676         7.676         7.497         0.179
RESID 187 (E):        N       121.832       121.832       126.688        -4.856
RESID 187 (E):       HA         3.698         3.698         3.947        -0.249
RESID 187 (E):        C       178.242       178.242       178.560        -0.318
RESID 187 (E):       CA        60.525        60.525        60.011         0.514
RESID 187 (E):       CB        29.271        29.271        29.474        -0.203
RESID 187 (E):        H         9.064         9.064         9.014         0.050
RESID 188 (G):        N       103.385       103.385       107.392        -4.007
RESID 188 (G):        C       176.865       176.865       175.374         1.491
RESID 188 (G):       CA        47.142        47.142        46.596         0.546
RESID 188 (G):        H         8.688         8.688         8.444         0.244
RESID 189 (A):        N       125.710       125.710       124.156         1.554
RESID 189 (A):       HA         4.040         4.040         3.943         0.097
RESID 189 (A):        C       179.646       179.646       179.348         0.298
RESID 189 (A):       CA        55.511        55.511        54.709         0.802
RESID 189 (A):       CB        18.211        18.211        18.680        -0.469
RESID 189 (A):        H         7.716         7.716         7.894        -0.178
RESID 190 (M):        N       117.503       117.503       117.105         0.398
RESID 190 (M):       HA         4.060         4.060         4.137        -0.077
RESID 190 (M):        C       178.705       178.705       177.710         0.995
RESID 190 (M):       CA        60.473        60.473        57.380         3.093
RESID 190 (M):       CB        33.599        33.599        31.966         1.633
RESID 190 (M):        H         8.569         8.569         8.699        -0.130
RESID 191 (D):        N       119.826       119.826       118.672         1.154
RESID 191 (D):       HA         4.276         4.276         4.435        -0.159
RESID 191 (D):        C       178.528       178.528       177.881         0.647
RESID 191 (D):       CA        57.152        57.152        56.833         0.320
RESID 191 (D):       CB        39.009        39.009        39.696        -0.687
RESID 191 (D):        H         8.820         8.820         8.050         0.770
RESID 192 (A):        N       123.880       123.880       122.446         1.434
RESID 192 (A):       HA         3.905         3.905         4.194        -0.289
RESID 192 (A):        C       179.032       179.032       179.715        -0.683
RESID 192 (A):       CA        55.448        55.448        54.902         0.546
RESID 192 (A):       CB        15.703        15.703        17.830        -2.127
RESID 192 (A):        H         7.544         7.544         7.191         0.353
RESID 193 (A):        N       120.855       120.855       121.150        -0.295
RESID 193 (A):       HA         4.358         4.358         4.066         0.292
RESID 193 (A):        C       179.427       179.427       179.600        -0.173
RESID 193 (A):       CA        55.521        55.521        55.210         0.311
RESID 193 (A):       CB        18.361        18.361        18.130         0.231
RESID 193 (A):        H         8.435         8.435         7.747         0.688
RESID 194 (E):        N       122.123       122.123       118.852         3.271
RESID 194 (E):       HA         4.375         4.375         3.934         0.441
RESID 194 (E):        C       178.565       178.565       178.808        -0.243
RESID 194 (E):       CA        58.780        58.780        59.730        -0.950
RESID 194 (E):       CB        27.301        27.301        29.460        -2.159
RESID 194 (E):        H         8.778         8.778         7.791         0.987
RESID 195 (D):        N       121.253       121.253       119.101         2.152
RESID 195 (D):       HA         4.408         4.408         4.387         0.021
RESID 195 (D):        C       179.882       179.882       178.297         1.585
RESID 195 (D):       CA        57.421        57.421        57.436        -0.015
RESID 195 (D):       CB        39.518        39.518        41.030        -1.512
RESID 195 (D):        H         8.213         8.213         7.894         0.319
RESID 196 (H):        N       124.862       124.862       119.226         5.636
RESID 196 (H):       HA         4.172         4.172         4.289        -0.117
RESID 196 (H):        C       177.779       177.779       177.765         0.014
RESID 196 (H):       CA        61.442        61.442        59.796         1.646
RESID 196 (H):       CB        31.474        31.474        30.422         1.052
RESID 196 (H):        H         8.857         8.857         8.288         0.569
RESID 197 (R):        N       123.019       123.019       119.134         3.885
RESID 197 (R):       HA         3.001         3.001         4.012        -1.011
RESID 197 (R):        C       178.632       178.632       178.903        -0.271
RESID 197 (R):       CA        60.121        60.121        59.093         1.028
RESID 197 (R):       CB        30.529        30.529        29.589         0.940
RESID 197 (R):        H         8.371         8.371         8.522        -0.151
RESID 198 (Q):        N       114.857       114.857       120.128        -5.271
RESID 198 (Q):       HA         3.780         3.780         3.879        -0.099
RESID 198 (Q):        C       179.002       179.002       178.646         0.356
RESID 198 (Q):       CA        58.513        58.513        59.030        -0.517
RESID 198 (Q):       CB        27.753        27.753        28.480        -0.727
RESID 198 (Q):        H         8.283         8.283         8.150         0.133
RESID 199 (G):        N       109.227       109.227       105.977         3.250
RESID 199 (G):        C       175.335       175.335       175.256         0.079
RESID 199 (G):       CA        46.966        46.966        46.197         0.769
RESID 199 (G):        H         8.177         8.177         7.714         0.463
RESID 200 (I):        N       123.036       123.036       121.347         1.689
RESID 200 (I):       HA         3.493         3.493         3.513        -0.020
RESID 200 (I):        C       178.329       178.329       176.432         1.897
RESID 200 (I):       CA        64.940        64.940        63.053         1.887
RESID 200 (I):       CB        36.330        36.330        37.975        -1.645
RESID 200 (I):        H         7.474         7.474         7.216         0.258
RESID 201 (A):        N       121.122       121.122       120.885         0.237
RESID 201 (A):       HA         4.501         4.501         4.071         0.430
RESID 201 (A):        C       179.480       179.480       179.100         0.380
RESID 201 (A):       CA        53.082        53.082        54.222        -1.140
RESID 201 (A):       CB        18.054        18.054        18.581        -0.527
RESID 201 (A):        H         7.739         7.739         7.523         0.216
RESID 202 (R):        N       115.981       115.981       114.001         1.980
RESID 202 (R):       HA         3.853         3.853         4.138        -0.285
RESID 202 (R):        C       177.874       177.874       176.717         1.157
RESID 202 (R):       CA        58.391        58.391        57.938         0.453
RESID 202 (R):       CB        31.163        31.163        30.063         1.100
RESID 202 (R):        H         7.968         7.968         7.498         0.470
RESID 203 (N):        N       111.860       111.860       115.714        -3.854
RESID 203 (N):       HA         4.362         4.362         5.075        -0.713
RESID 203 (N):        C       175.317       175.317       176.117        -0.800
RESID 203 (N):       CA        53.644        53.644        54.329        -0.685
RESID 203 (N):       CB        40.307        40.307        40.906        -0.599
RESID 203 (N):        H         7.591         7.591         7.559         0.032
RESID 204 (H):        N       118.469       118.469       115.590         2.879
RESID 204 (H):       HA         4.670         4.670         4.921        -0.251
RESID 204 (H):        C       172.483       172.483       173.785        -1.302
RESID 204 (H):       CA        59.079        59.079        56.204         2.875
RESID 204 (H):       CB        33.877        33.877        32.334         1.543
RESID 204 (H):        H         8.389         8.389         7.475         0.914
RESID 205 (Y):        N       111.831       111.831       115.345        -3.514
RESID 205 (Y):       HA         4.363         4.363         4.716        -0.353
RESID 205 (Y):        C       173.387       173.387       173.275         0.112
RESID 205 (Y):       CA        56.400        56.400        56.406        -0.006
RESID 205 (Y):       CB        39.523        39.523        39.733        -0.211
RESID 205 (Y):        H         7.240         7.240         8.075        -0.835
RESID 206 (D):        N       117.047       117.047       122.325        -5.278
RESID 206 (D):       HA         4.033         4.033         4.537        -0.504
RESID 206 (D):        C       175.864       175.864       175.810         0.054
RESID 206 (D):       CA        56.391        56.391        55.353         1.038
RESID 206 (D):       CB        40.166        40.166        40.600        -0.434
RESID 206 (D):        H         8.304         8.304         8.527        -0.223
RESID 207 (C):        N       125.983       125.983       120.430         5.553
RESID 207 (C):       HA         4.694         4.694         4.680         0.014
RESID 207 (C):        C       172.708       172.708       174.041        -1.333
RESID 207 (C):       CA        57.910        57.910        55.219         2.691
RESID 207 (C):       CB        26.861        26.861        30.984        -4.123
RESID 207 (C):        H         7.581         7.581         7.638        -0.057
RESID 208 (G):        N       113.288       113.288       108.625         4.663
RESID 208 (G):        C       173.509       173.509       174.661        -1.152
RESID 208 (G):       CA        44.579        44.579        43.340         1.239
RESID 208 (G):        H         8.359         8.359         7.691         0.668
RESID 209 (Y):        N       116.731       116.731       119.935        -3.204
RESID 209 (Y):       HA         3.965         3.965         4.154        -0.189
RESID 209 (Y):        C       177.981       177.981       177.798         0.183
RESID 209 (Y):       CA        64.964        64.964        62.688         2.276
RESID 209 (Y):       CB        38.046        38.046        38.462        -0.416
RESID 209 (Y):        H         8.283         8.283         8.392        -0.109
RESID 210 (E):        N       119.927       119.927       120.027        -0.100
RESID 210 (E):       HA         4.089         4.089         4.067         0.022
RESID 210 (E):        C       178.511       178.511       178.875        -0.364
RESID 210 (E):       CA        60.166        60.166        59.557         0.609
RESID 210 (E):       CB        28.747        28.747        29.321        -0.574
RESID 210 (E):        H         8.870         8.870         8.765         0.105
RESID 211 (M):        N       120.242       120.242       117.498         2.744
RESID 211 (M):       HA         3.914         3.914         4.087        -0.173
RESID 211 (M):       CA        57.257        57.257        58.964        -1.707
RESID 211 (M):       CB        31.938        31.938        32.501        -0.563
RESID 211 (M):        H         8.047         8.047         8.086        -0.039
RESID 212 (H):        N       120.018       120.018       116.724         3.294
RESID 212 (H):       HA         3.977         3.977         4.561        -0.584
RESID 212 (H):        C       178.034       178.034       176.913         1.121
RESID 212 (H):       CA        59.099        59.099        57.484         1.615
RESID 212 (H):       CB        33.381        33.381        29.234         4.147
RESID 212 (H):        H         8.647         8.647         7.985         0.662
RESID 213 (T):        N       107.780       107.780       116.856        -9.076
RESID 213 (T):       HA         3.775         3.775         3.561         0.214
RESID 213 (T):        C       176.569       176.569       175.865         0.704
RESID 213 (T):       CA        65.841        65.841        67.126        -1.285
RESID 213 (T):       CB        68.584        68.584        68.913        -0.329
RESID 213 (T):        H         8.140         8.140         8.183        -0.043
RESID 214 (C):        N       120.727       120.727       118.861         1.866
RESID 214 (C):       HA         4.039         4.039         4.231        -0.192
RESID 214 (C):       CA        63.078        63.078        60.812         2.266
RESID 214 (C):        H         7.337         7.337         7.728        -0.391
RESID 215 (L):        N       121.760       121.760       123.737        -1.977
RESID 215 (L):       HA         3.406         3.406         3.856        -0.450
RESID 215 (L):        C       176.549       176.549       178.594        -2.045
RESID 215 (L):       CA        57.581        57.581        57.280         0.301
RESID 215 (L):       CB        40.459        40.459        41.150        -0.691
RESID 215 (L):        H         7.696         7.696         7.342         0.354
RESID 216 (G):        N       101.717       101.717       104.625        -2.908
RESID 216 (G):        C       174.717       174.717       175.375        -0.658
RESID 216 (G):       CA        47.445        47.445        46.849         0.596
RESID 216 (G):        H         7.849         7.849         8.312        -0.463
RESID 217 (E):        N       115.126       115.126       120.360        -5.234
RESID 217 (E):       HA         4.021         4.021         4.152        -0.131
RESID 217 (E):        C       179.892       179.892       178.848         1.044
RESID 217 (E):       CA        58.378        58.378        58.291         0.087
RESID 217 (E):       CB        28.933        28.933        29.599        -0.666
RESID 217 (E):        H         7.572         7.572         7.684        -0.112
RESID 218 (M):        N       123.032       123.032       119.327         3.705
RESID 218 (M):       HA         3.993         3.993         4.362        -0.369
RESID 218 (M):        C       177.036       177.036       177.314        -0.278
RESID 218 (M):       CA        58.596        58.596        56.773         1.823
RESID 218 (M):       CB        32.582        32.582        32.242         0.341
RESID 218 (M):        H         7.495         7.495         7.790        -0.295
RESID 219 (Y):        N       115.483       115.483       120.628        -5.145
RESID 219 (Y):       HA         4.174         4.174         4.041         0.133
RESID 219 (Y):        C       176.350       176.350       176.899        -0.549
RESID 219 (Y):       CA        56.530        56.530        59.913        -3.384
RESID 219 (Y):       CB        35.854        35.854        38.227        -2.373
RESID 219 (Y):        H         7.521         7.521         7.626        -0.105
RESID 220 (V):        N       109.054       109.054       112.504        -3.450
RESID 220 (V):       HA         4.022         4.022         4.139        -0.117
RESID 220 (V):        C       176.266       176.266       177.909        -1.643
RESID 220 (V):       CA        62.095        62.095        64.116        -2.021
RESID 220 (V):       CB        32.980        32.980        31.936         1.044
RESID 220 (V):        H         6.817         6.817         7.255        -0.438
RESID 221 (S):        N       115.276       115.276       116.696        -1.420
RESID 221 (S):       HA         4.368         4.368         4.243         0.125
RESID 221 (S):        C       174.071       174.071       175.287        -1.216
RESID 221 (S):       CA        59.950        59.950        61.194        -1.244
RESID 221 (S):       CB        63.608        63.608        63.334         0.274
RESID 221 (S):        H         8.278         8.278         8.245         0.033
RESID 222 (D):        N       122.686       122.686       122.776        -0.090
RESID 222 (D):       HA         4.962         4.962         4.978        -0.016
RESID 222 (D):        C       176.246       176.246       176.203         0.043
RESID 222 (D):       CA        52.489        52.489        52.965        -0.476
RESID 222 (D):       CB        41.604        41.604        40.201         1.403
RESID 222 (D):        H         8.238         8.238         7.853         0.385
RESID 223 (E):        N       124.836       124.836       123.559         1.277
RESID 223 (E):       HA         4.306         4.306         4.032         0.275
RESID 223 (E):        C       177.201       177.201       178.052        -0.851
RESID 223 (E):       CA        58.566        58.566        58.924        -0.358
RESID 223 (E):       CB        29.326        29.326        29.038         0.288
RESID 223 (E):        H         8.932         8.932         8.484         0.448
RESID 224 (R):        N       117.537       117.537       118.546        -1.009
RESID 224 (R):       HA         4.102         4.102         4.007         0.095
RESID 224 (R):        C       181.161       181.161       178.767         2.394
RESID 224 (R):       CA        58.642        58.642        59.234        -0.592
RESID 224 (R):       CB        30.996        30.996        29.504         1.492
RESID 224 (R):        H         8.429         8.429         8.347         0.082
RESID 225 (F):        N       116.733       116.733       118.131        -1.398
RESID 225 (F):       HA         4.149         4.149         4.471        -0.322
RESID 225 (F):        C       177.880       177.880       177.578         0.302
RESID 225 (F):       CA        60.916        60.916        62.031        -1.115
RESID 225 (F):       CB        39.728        39.728        38.970         0.758
RESID 225 (F):        H         7.830         7.830         8.863        -1.033
RESID 226 (T):        N       116.162       116.162       115.852         0.310
RESID 226 (T):       HA         3.637         3.637         3.925        -0.288
RESID 226 (T):        C       176.142       176.142       176.297        -0.155
RESID 226 (T):       CA        67.025        67.025        66.976         0.049
RESID 226 (T):       CB        68.865        68.865        68.263         0.602
RESID 226 (T):        H         8.182         8.182         7.932         0.250
RESID 227 (R):        N       115.469       115.469       120.873        -5.404
RESID 227 (R):       HA         3.984         3.984         4.004        -0.020
RESID 227 (R):        C       178.758       178.758       177.895         0.863
RESID 227 (R):       CA        59.109        59.109        59.591        -0.482
RESID 227 (R):       CB        30.331        30.331        30.412        -0.081
RESID 227 (R):        H         8.388         8.388         8.673        -0.285
RESID 228 (N):        N       116.518       116.518       117.057        -0.539
RESID 228 (N):       HA         4.637         4.637         4.631         0.006
RESID 228 (N):        C       177.791       177.791       177.033         0.758
RESID 228 (N):       CA        55.214        55.214        55.664        -0.450
RESID 228 (N):       CB        38.118        38.118        38.196        -0.078
RESID 228 (N):        H         6.883         6.883         7.669        -0.786
RESID 229 (I):        N       122.529       122.529       119.385         3.144
RESID 229 (I):       HA         3.824         3.824         3.877        -0.053
RESID 229 (I):        C       178.564       178.564       177.534         1.030
RESID 229 (I):       CA        65.206        65.206        64.683         0.523
RESID 229 (I):       CB        39.514        39.514        38.350         1.164
RESID 229 (I):        H         8.636         8.636         7.989         0.647
RESID 230 (D):        N       118.458       118.458       120.221        -1.763
RESID 230 (D):       HA         4.686         4.686         4.527         0.159
RESID 230 (D):        C       177.491       177.491       177.830        -0.339
RESID 230 (D):       CA        55.594        55.594        55.771        -0.177
RESID 230 (D):       CB        38.864        38.864        40.743        -1.879
RESID 230 (D):        H         8.866         8.866         8.605         0.261
RESID 231 (A):        N       123.132       123.132       122.586         0.546
RESID 231 (A):       HA         4.053         4.053         4.099        -0.046
RESID 231 (A):        C       179.554       179.554       178.378         1.176
RESID 231 (A):       CA        54.925        54.925        54.434         0.491
RESID 231 (A):       CB        18.199        18.199        18.204        -0.005
RESID 231 (A):        H         7.074         7.074         7.822        -0.748
RESID 232 (A):        N       116.232       116.232       118.859        -2.627
RESID 232 (A):       HA         4.203         4.203         4.275        -0.072
RESID 232 (A):        C       178.208       178.208       177.231         0.977
RESID 232 (A):       CA        53.686        53.686        52.641         1.045
RESID 232 (A):       CB        19.446        19.446        20.190        -0.744
RESID 232 (A):        H         7.505         7.505         7.656        -0.151
RESID 233 (K):        N       116.503       116.503       118.534        -2.031
RESID 233 (K):       HA         4.464         4.464         4.714        -0.250
RESID 233 (K):       CA        54.363        54.363        53.439         0.924
RESID 233 (K):       CB        34.836        34.836        35.625        -0.789
RESID 233 (K):        H         6.678         6.678         7.893        -1.215
RESID 234 (P):       HA         4.277         4.277         4.679        -0.402
RESID 234 (P):        C       177.398       177.398       177.380         0.018
RESID 234 (P):       CA        64.067        64.067        63.161         0.906
RESID 234 (P):       CB        31.749        31.749        31.244         0.505
RESID 235 (G):        N       112.543       112.543       114.284        -1.741
RESID 235 (G):        C       174.848       174.848       173.123         1.725
RESID 235 (G):       CA        45.098        45.098        45.225        -0.127
RESID 235 (G):        H         8.705         8.705         9.628        -0.923
RESID 236 (L):        N       126.659       126.659       117.773         8.886
RESID 236 (L):       HA         4.270         4.270         4.737        -0.467
RESID 236 (L):        C       177.242       177.242       176.703         0.539
RESID 236 (L):       CA        57.890        57.890        55.614         2.276
RESID 236 (L):       CB        41.658        41.658        43.653        -1.995
RESID 236 (L):        H         7.919         7.919         7.675         0.244
RESID 237 (A):        N       126.005       126.005       123.840         2.165
RESID 237 (A):       HA         3.745         3.745         3.757        -0.012
RESID 237 (A):        C       179.077       179.077       178.702         0.375
RESID 237 (A):       CA        56.464        56.464        55.120         1.344
RESID 237 (A):       CB        17.932        17.932        17.799         0.133
RESID 237 (A):        H        10.901        10.901         8.472         2.429
RESID 238 (A):        N       118.189       118.189       119.496        -1.307
RESID 238 (A):       HA         3.764         3.764         3.995        -0.231
RESID 238 (A):        C       178.967       178.967       178.075         0.892
RESID 238 (A):       CA        54.549        54.549        54.664        -0.116
RESID 238 (A):       CB        17.675        17.675        18.378        -0.703
RESID 238 (A):        H         8.168         8.168         8.391        -0.223
RESID 239 (Y):        N       121.259       121.259       119.118         2.141
RESID 239 (Y):       HA         4.073         4.073         4.245        -0.172
RESID 239 (Y):        C       177.802       177.802       177.229         0.573
RESID 239 (Y):       CA        62.144        62.144        60.962         1.182
RESID 239 (Y):       CB        39.874        39.874        38.297         1.577
RESID 239 (Y):        H         7.940         7.940         7.681         0.259
RESID 240 (M):        N       116.383       116.383       118.817        -2.434
RESID 240 (M):       HA         3.300         3.300         4.120        -0.820
RESID 240 (M):        C       177.926       177.926       178.288        -0.362
RESID 240 (M):       CA        60.325        60.325        59.852         0.473
RESID 240 (M):       CB        33.236        33.236        32.554         0.682
RESID 240 (M):        H         9.169         9.169         8.769         0.400
RESID 241 (R):        N       118.201       118.201       120.407        -2.206
RESID 241 (R):       HA         3.397         3.397         3.985        -0.588
RESID 241 (R):        C       178.188       178.188       178.381        -0.193
RESID 241 (R):       CA        60.728        60.728        59.498         1.230
RESID 241 (R):       CB        28.104        28.104        29.505        -1.401
RESID 241 (R):        H         8.479         8.479         7.633         0.846
RESID 242 (D):        N       119.314       119.314       119.239         0.075
RESID 242 (D):       HA         4.165         4.165         4.350        -0.185
RESID 242 (D):        C       178.707       178.707       178.311         0.396
RESID 242 (D):       CA        57.489        57.489        56.980         0.509
RESID 242 (D):       CB        39.827        39.827        40.178        -0.351
RESID 242 (D):        H         8.016         8.016         7.874         0.142
RESID 243 (A):        N       127.195       127.195       123.441         3.754
RESID 243 (A):       HA         4.399         4.399         4.127         0.272
RESID 243 (A):        C       179.891       179.891       179.744         0.147
RESID 243 (A):       CA        54.946        54.946        54.510         0.436
RESID 243 (A):       CB        19.100        19.100        18.514         0.586
RESID 243 (A):        H         8.620         8.620         7.996         0.624
RESID 244 (I):        N       120.697       120.697       120.016         0.681
RESID 244 (I):       HA         3.540         3.540         3.662        -0.122
RESID 244 (I):        C       179.591       179.591       177.245         2.346
RESID 244 (I):       CA        65.737        65.737        63.593         2.144
RESID 244 (I):       CB        37.579        37.579        38.113        -0.534
RESID 244 (I):        H         8.871         8.871         8.323         0.548
RESID 245 (L):        N       121.753       121.753       120.631         1.122
RESID 245 (L):       HA         3.987         3.987         3.980         0.007
RESID 245 (L):        C       179.065       179.065       178.837         0.228
RESID 245 (L):       CA        58.462        58.462        57.533         0.929
RESID 245 (L):       CB        41.173        41.173        41.650        -0.477
RESID 245 (L):        H         8.311         8.311         8.018         0.293
RESID 246 (A):        N       121.174       121.174       120.144         1.030
RESID 246 (A):       HA         4.081         4.081         3.834         0.247
RESID 246 (A):        C       180.864       180.864       179.274         1.590
RESID 246 (A):       CA        55.306        55.306        55.120         0.186
RESID 246 (A):       CB        16.939        16.939        17.918        -0.979
RESID 246 (A):        H         8.100         8.100         7.969         0.131
RESID 247 (N):        N       117.391       117.391       117.051         0.340
RESID 247 (N):       HA         4.582         4.582         4.161         0.421
RESID 247 (N):        C       177.205       177.205       176.859         0.346
RESID 247 (N):       CA        56.362        56.362        55.890         0.472
RESID 247 (N):       CB        40.264        40.264        38.155         2.109
RESID 247 (N):        H         8.948         8.948         7.742         1.206
RESID 248 (A):        N       124.544       124.544       119.697         4.847
RESID 248 (A):       HA         3.917         3.917         3.943        -0.026
RESID 248 (A):        C       180.931       180.931       179.251         1.680
RESID 248 (A):       CA        55.851        55.851        54.536         1.315
RESID 248 (A):       CB        17.991        17.991        18.484        -0.493
RESID 248 (A):        H         8.432         8.432         7.548         0.884
RESID 249 (V):        N       120.469       120.469       117.479         2.990
RESID 249 (V):       HA         3.575         3.575         3.702        -0.127
RESID 249 (V):        C       179.608       179.608       177.244         2.364
RESID 249 (V):       CA        66.636        66.636        65.374         1.262
RESID 249 (V):       CB        31.449        31.449        31.053         0.396
RESID 249 (V):        H         8.214         8.214         7.512         0.702
RESID 250 (R):        N       116.667       116.667       116.009         0.658
RESID 250 (R):       HA         4.269         4.269         4.211         0.058
RESID 250 (R):        C       176.251       176.251       177.824        -1.573
RESID 250 (R):       CA        57.938        57.938        56.919         1.019
RESID 250 (R):       CB        28.897        28.897        30.209        -1.312
RESID 250 (R):        H         7.583         7.583         7.360         0.223
RESID 251 (H):        N       115.928       115.928       115.240         0.688
RESID 251 (H):       HA         4.472         4.472         4.448         0.024
RESID 251 (H):        C       173.245       173.245       174.369        -1.124
RESID 251 (H):       CA        56.667        56.667        55.566         1.101
RESID 251 (H):       CB        28.543        28.543        28.952        -0.409
RESID 251 (H):        H         7.163         7.163         7.876        -0.713
RESID 252 (T):        N       118.280       118.280       116.124         2.156
RESID 252 (T):       HA         4.517         4.517         4.499         0.018
RESID 252 (T):       CA        60.673        60.673        58.445         2.228
RESID 252 (T):       CB        70.034        70.034        69.767         0.267
RESID 252 (T):        H         7.449         7.449         7.331         0.118

                         N          HA           C          CA          CB           H
RESID 113 (N):      -2.459      -0.027       0.550      -0.153      -0.956      -0.109
RESID 114 (L):      -3.464       0.146       1.815      -0.146       0.226      -0.095
RESID 115 (T):       2.875      -0.039       -----       1.640      -1.484       1.350
RESID 116 (P):       -----       0.306       1.078       0.291      -0.157       -----
RESID 117 (E):       1.272      -0.202       0.912       1.339      -0.253       0.110
RESID 118 (E):       1.254      -0.089      -0.249       0.706       2.342      -0.106
RESID 119 (K):      -2.865      -0.266      -0.883       1.062       0.786       0.392
RESID 120 (F):       1.605       0.176       -----       0.820       0.763       0.857
RESID 121 (E):       1.867      -0.361      -0.138       1.114       0.277       0.028
RESID 122 (V):      -4.246       0.050       1.155       0.368       0.599       0.331
RESID 123 (F):      -0.639       0.241       1.415      -1.557      -0.541       0.562
RESID 124 (G):       3.588       -----       0.203       0.994       -----       0.017
RESID 125 (D):       7.375       0.204       0.702      -1.161       0.361      -0.480
RESID 126 (F):       0.345      -0.227      -0.764       0.247       0.567      -0.452
RESID 127 (D):      -2.353       0.436       -----      -0.915      -1.521       0.162
RESID 128 (P):       -----      -0.063       1.587      -0.867       0.644       -----
RESID 129 (D):      -1.343       0.129      -0.259      -0.695      -0.234      -0.408
RESID 130 (Q):      -1.897      -0.190      -3.017      -1.552      -0.880      -1.277
RESID 131 (Y):      -3.004       0.337      -3.075       0.752       2.745      -0.577
RESID 132 (E):      -2.196      -0.050      -0.632       0.485       1.135      -1.738
RESID 133 (E):       1.491      -0.003      -1.268       0.280      -0.691       0.858
RESID 134 (E):       2.952      -0.228      -1.252       0.199      -0.676       0.601
RESID 135 (V):       2.393       0.046       0.061      -0.245       0.313      -0.422
RESID 136 (R):      -2.839      -0.984       1.141      -0.014       0.221      -0.273
RESID 137 (E):       2.621      -0.407      -0.019       0.783      -0.104       0.938
RESID 138 (R):      -3.250      -0.265       0.850       0.092      -0.088       0.367
RESID 139 (W):      -1.631       0.162      -0.504      -1.531      -1.770      -0.027
RESID 140 (G):       2.116       -----      -0.576      -0.136       -----      -0.623
RESID 141 (N):       4.873       0.383       1.547      -0.395       0.221      -0.042
RESID 142 (T):      -5.151       0.206       1.402      -0.302       2.037       0.323
RESID 143 (D):      -4.503       0.272       1.128      -0.193      -0.438       0.134
RESID 144 (A):       1.972       0.973       1.206       0.262       0.335       0.594
RESID 145 (Y):      -1.566       0.070       0.000       3.476       1.956       0.852
RESID 146 (R):       0.997       0.267       0.686       0.621       0.388      -0.211
RESID 147 (Q):      -0.130       0.034       1.216       0.776       0.511       0.811
RESID 148 (S):      -0.540       0.803       1.278      -0.489       0.384       0.953
RESID 149 (K):       4.883       0.035      -0.265      -0.779      -0.817       0.765
RESID 150 (E):      -2.006      -0.039       0.522      -0.245       0.071      -0.395
RESID 151 (K):       3.069      -0.379      -0.065       0.702       0.090      -0.043
RESID 152 (T):      -9.709       0.894       -----      -2.047       1.286       0.000
RESID 153 (A):       1.578       0.089       0.193       0.431       0.201      -0.377
RESID 154 (S):      -2.960       0.136       0.250      -0.571       -----      -0.451
RESID 155 (Y):      -0.729       0.465       1.717      -2.475      -1.160      -0.701
RESID 156 (T):      -1.092       0.125       0.139       0.515       1.401       1.706
RESID 157 (K):       0.255      -0.301      -1.165       1.392      -0.503       0.541
RESID 158 (E):      -1.234       0.038       0.992       0.450       0.299      -0.310
RESID 159 (D):      -0.561      -0.092      -1.048       0.750       0.847       0.008
RESID 160 (W):      -3.459      -0.084      -0.348       0.951       0.051       0.520
RESID 161 (Q):      -0.742      -0.016      -0.566      -0.377       0.607       0.072
RESID 162 (R):       1.055       0.000      -0.576       0.497      -1.097      -0.018
RESID 163 (I):      -0.916      -0.527       1.020       1.800       0.674       0.296
RESID 164 (Q):       1.691       0.303      -0.053      -0.936       1.702      -0.289
RESID 165 (D):       3.947       0.056       1.096       0.099      -0.313      -0.005
RESID 166 (E):       0.872      -0.153       1.834       0.271       0.202       0.800
RESID 167 (A):       1.058       0.438       1.432      -0.416       0.063      -0.421
RESID 168 (D):       1.483       0.164       0.245       0.191       0.155       0.219
RESID 169 (E):      -0.026       0.027       0.113       0.343      -0.493       0.136
RESID 170 (L):       1.690       0.116       0.326       0.294      -0.039      -0.757
RESID 171 (T):       2.814       0.194      -0.917       1.750       0.139       0.681
RESID 172 (R):      -2.780      -0.052       0.716       0.097      -0.080      -0.335
RESID 173 (R):       1.909      -0.195       0.725       0.480       0.819      -0.070
RESID 174 (F):      -1.936      -0.060       0.000       2.884       2.101       0.417
RESID 175 (V):      -1.369      -0.467      -1.434       0.345       0.458      -0.101
RESID 176 (A):      -2.080       0.063       2.419      -0.163      -0.883       0.102
RESID 177 (L):       5.662      -0.532       0.149       1.088      -0.577      -0.408
RESID 178 (M):      -1.344      -0.137       3.411       1.796       2.251      -0.888
RESID 179 (D):      -0.182       0.032      -0.089       0.276      -0.010       0.652
RESID 180 (A):       0.083       0.127      -0.237      -0.047       0.615      -0.003
RESID 181 (G):       0.718       -----       1.245       0.559       -----       0.053
RESID 182 (E):      -1.437       0.060       -----       0.914      -1.999       0.261
RESID 183 (P):       -----       0.212       0.327      -0.377       0.670       -----
RESID 184 (A):       1.375      -0.420      -4.685       0.476       0.846       0.555
RESID 185 (D):      -8.660      -0.140       0.848      -1.701      -1.050      -0.939
RESID 186 (S):      -2.701      -0.147      -1.102      -1.425       1.390       0.179
RESID 187 (E):      -4.856      -0.249      -0.318       0.514      -0.203       0.050
RESID 188 (G):      -4.007       -----       1.491       0.546       -----       0.244
RESID 189 (A):       1.554       0.097       0.298       0.802      -0.469      -0.178
RESID 190 (M):       0.398      -0.077       0.995       3.093       1.633      -0.130
RESID 191 (D):       1.154      -0.159       0.647       0.320      -0.687       0.770
RESID 192 (A):       1.434      -0.289      -0.683       0.546      -2.127       0.353
RESID 193 (A):      -0.295       0.292      -0.173       0.311       0.231       0.688
RESID 194 (E):       3.271       0.441      -0.243      -0.950      -2.159       0.987
RESID 195 (D):       2.152       0.021       1.585      -0.015      -1.512       0.319
RESID 196 (H):       5.636      -0.117       0.014       1.646       1.052       0.569
RESID 197 (R):       3.885      -1.011      -0.271       1.028       0.940      -0.151
RESID 198 (Q):      -5.271      -0.099       0.356      -0.517      -0.727       0.133
RESID 199 (G):       3.250       -----       0.079       0.769       -----       0.463
RESID 200 (I):       1.689      -0.020       1.897       1.887      -1.645       0.258
RESID 201 (A):       0.237       0.430       0.380      -1.140      -0.527       0.216
RESID 202 (R):       1.980      -0.285       1.157       0.453       1.100       0.470
RESID 203 (N):      -3.854      -0.713      -0.800      -0.685      -0.599       0.032
RESID 204 (H):       2.879      -0.251      -1.302       2.875       1.543       0.914
RESID 205 (Y):      -3.514      -0.353       0.112      -0.006      -0.211      -0.835
RESID 206 (D):      -5.278      -0.504       0.054       1.038      -0.434      -0.223
RESID 207 (C):       5.553       0.014      -1.333       2.691      -4.123      -0.057
RESID 208 (G):       4.663       -----      -1.152       1.239       -----       0.668
RESID 209 (Y):      -3.204      -0.189       0.183       2.276      -0.416      -0.109
RESID 210 (E):      -0.100       0.022      -0.364       0.609      -0.574       0.105
RESID 211 (M):       2.744      -0.173       -----      -1.707      -0.563      -0.039
RESID 212 (H):       3.294      -0.584       1.121       1.615       4.147       0.662
RESID 213 (T):      -9.076       0.214       0.704      -1.285      -0.329      -0.043
RESID 214 (C):       1.866      -0.192       -----       2.266       -----      -0.391
RESID 215 (L):      -1.977      -0.450      -2.045       0.301      -0.691       0.354
RESID 216 (G):      -2.908       -----      -0.658       0.596       -----      -0.463
RESID 217 (E):      -5.234      -0.131       1.044       0.087      -0.666      -0.112
RESID 218 (M):       3.705      -0.369      -0.278       1.823       0.341      -0.295
RESID 219 (Y):      -5.145       0.133      -0.549      -3.384      -2.373      -0.105
RESID 220 (V):      -3.450      -0.117      -1.643      -2.021       1.044      -0.438
RESID 221 (S):      -1.420       0.125      -1.216      -1.244       0.274       0.033
RESID 222 (D):      -0.090      -0.016       0.043      -0.476       1.403       0.385
RESID 223 (E):       1.277       0.275      -0.851      -0.358       0.288       0.448
RESID 224 (R):      -1.009       0.095       2.394      -0.592       1.492       0.082
RESID 225 (F):      -1.398      -0.322       0.302      -1.115       0.758      -1.033
RESID 226 (T):       0.310      -0.288      -0.155       0.049       0.602       0.250
RESID 227 (R):      -5.404      -0.020       0.863      -0.482      -0.081      -0.285
RESID 228 (N):      -0.539       0.006       0.758      -0.450      -0.078      -0.786
RESID 229 (I):       3.144      -0.053       1.030       0.523       1.164       0.647
RESID 230 (D):      -1.763       0.159      -0.339      -0.177      -1.879       0.261
RESID 231 (A):       0.546      -0.046       1.176       0.491      -0.005      -0.748
RESID 232 (A):      -2.627      -0.072       0.977       1.045      -0.744      -0.151
RESID 233 (K):      -2.031      -0.250       -----       0.924      -0.789      -1.215
RESID 234 (P):       -----      -0.402       0.018       0.906       0.505       -----
RESID 235 (G):      -1.741       -----       1.725      -0.127       -----      -0.923
RESID 236 (L):       8.886      -0.467       0.539       2.276      -1.995       0.244
RESID 237 (A):       2.165      -0.012       0.375       1.344       0.133       2.429
RESID 238 (A):      -1.307      -0.231       0.892      -0.116      -0.703      -0.223
RESID 239 (Y):       2.141      -0.172       0.573       1.182       1.577       0.259
RESID 240 (M):      -2.434      -0.820      -0.362       0.473       0.682       0.400
RESID 241 (R):      -2.206      -0.588      -0.193       1.230      -1.401       0.846
RESID 242 (D):       0.075      -0.185       0.396       0.509      -0.351       0.142
RESID 243 (A):       3.754       0.272       0.147       0.436       0.586       0.624
RESID 244 (I):       0.681      -0.122       2.346       2.144      -0.534       0.548
RESID 245 (L):       1.122       0.007       0.228       0.929      -0.477       0.293
RESID 246 (A):       1.030       0.247       1.590       0.186      -0.979       0.131
RESID 247 (N):       0.340       0.421       0.346       0.472       2.109       1.206
RESID 248 (A):       4.847      -0.026       1.680       1.315      -0.493       0.884
RESID 249 (V):       2.990      -0.127       2.364       1.262       0.396       0.702
RESID 250 (R):       0.658       0.058      -1.573       1.019      -1.312       0.223
RESID 251 (H):       0.688       0.024      -1.124       1.101      -0.409      -0.713
RESID 252 (T):       2.156       0.018       -----       2.228       0.267       0.118

DATA CS_STAT_INFO  N  RMS:   3.097 ppm Count: 137 Average Difference:  0.084 +/- 3.107 ppm
DATA CS_STAT_INFO  HA RMS:   0.323 ppm Count: 149 Average Difference:  0.047 +/- 0.321 ppm
DATA CS_STAT_INFO  C  RMS:   1.161 ppm Count: 132 Average Difference: -0.226 +/- 1.143 ppm
DATA CS_STAT_INFO  CA RMS:   1.162 ppm Count: 141 Average Difference: -0.343 +/- 1.115 ppm
DATA CS_STAT_INFO  CB RMS:   1.139 ppm Count: 131 Average Difference: -0.061 +/- 1.142 ppm
DATA CS_STAT_INFO  HN RMS:   0.591 ppm Count: 137 Average Difference: -0.108 +/- 0.583 ppm


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

                   Atom      Original     Corrected        SPARTA    Difference
RESID 112 (I):        N       120.180       120.180       122.401        -2.221
RESID 112 (I):       HA         4.320         4.320         4.566        -0.246
RESID 112 (I):        C       176.436       176.436       175.572         0.864
RESID 112 (I):       CA        61.350        61.350        59.991         1.359
RESID 112 (I):       CB        38.688        38.688        38.873        -0.185
RESID 112 (I):        H         8.735         8.735         8.504         0.231
RESID 113 (N):        N       125.593       125.593       127.591        -1.998
RESID 113 (N):       HA         4.915         4.915         5.055        -0.140
RESID 113 (N):        C       174.326       174.326       174.374        -0.048
RESID 113 (N):       CA        52.993        52.993        52.846         0.147
RESID 113 (N):       CB        37.402        37.402        38.671        -1.269
RESID 113 (N):        H         8.939         8.939         8.901         0.038
RESID 114 (L):        N       120.224       120.224       123.067        -2.843
RESID 114 (L):       HA         4.943         4.943         4.761         0.182
RESID 114 (L):        C       176.954       176.954       175.938         1.016
RESID 114 (L):       CA        53.421        53.421        53.659        -0.238
RESID 114 (L):       CB        46.761        46.761        46.300         0.461
RESID 114 (L):        H         7.667         7.667         7.858        -0.191
RESID 115 (T):        N       114.226       114.226       112.653         1.573
RESID 115 (T):       HA         4.661         4.661         4.711        -0.050
RESID 115 (T):       CA        60.696        60.696        58.584         2.112
RESID 115 (T):       CB        67.843        67.843        69.624        -1.781
RESID 115 (T):        H         9.357         9.357         8.387         0.970
RESID 116 (P):       HA         4.150         4.150         4.096         0.054
RESID 116 (P):        C       179.425       179.425       179.245         0.180
RESID 116 (P):       CA        66.423        66.423        66.116         0.307
RESID 116 (P):       CB        31.661        31.661        31.958        -0.297
RESID 117 (E):        N       116.894       116.894       116.988        -0.094
RESID 117 (E):       HA         4.117         4.117         4.344        -0.227
RESID 117 (E):        C       179.580       179.580       178.738         0.842
RESID 117 (E):       CA        60.388        60.388        59.217         1.171
RESID 117 (E):       CB        28.810        28.810        29.526        -0.717
RESID 117 (E):        H         8.731         8.731         8.543         0.188
RESID 118 (E):        N       120.845       120.845       119.187         1.658
RESID 118 (E):       HA         4.011         4.011         4.450        -0.439
RESID 118 (E):        C       178.520       178.520       179.026        -0.506
RESID 118 (E):       CA        58.955        58.955        58.241         0.714
RESID 118 (E):       CB        31.576        31.576        29.535         2.041
RESID 118 (E):        H         7.779         7.779         8.235        -0.456
RESID 119 (K):        N       117.419       117.419       120.114        -2.695
RESID 119 (K):       HA         3.741         3.741         4.101        -0.360
RESID 119 (K):        C       178.034       178.034       178.958        -0.924
RESID 119 (K):       CA        60.446        60.446        59.687         0.759
RESID 119 (K):       CB        32.524        32.524        32.134         0.390
RESID 119 (K):        H         8.723         8.723         8.706         0.017
RESID 120 (F):        N       117.618       117.618       116.517         1.101
RESID 120 (F):       HA         4.662         4.662         4.333         0.329
RESID 120 (F):       CA        60.444        60.444        60.912        -0.468
RESID 120 (F):       CB        38.788        38.788        38.594         0.194
RESID 120 (F):        H         7.819         7.819         7.793         0.026
RESID 121 (E):        N       119.300       119.300       117.158         2.142
RESID 121 (E):       HA         3.793         3.793         4.174        -0.381
RESID 121 (E):        C       177.602       177.602       177.586         0.016
RESID 121 (E):       CA        59.453        59.453        58.671         0.782
RESID 121 (E):       CB        29.815        29.815        29.606         0.209
RESID 121 (E):        H         7.898         7.898         7.865         0.033
RESID 122 (V):        N       112.645       112.645       117.857        -5.212
RESID 122 (V):       HA         3.939         3.939         3.891         0.048
RESID 122 (V):        C       177.072       177.072       176.384         0.688
RESID 122 (V):       CA        64.288        64.288        64.450        -0.162
RESID 122 (V):       CB        33.050        33.050        32.632         0.418
RESID 122 (V):        H         7.668         7.668         7.517         0.151
RESID 123 (F):        N       116.335       116.335       117.185        -0.850
RESID 123 (F):       HA         5.020         5.020         4.879         0.141
RESID 123 (F):        C       177.796       177.796       176.434         1.362
RESID 123 (F):       CA        56.368        56.368        58.261        -1.893
RESID 123 (F):       CB        40.644        40.644        41.098        -0.454
RESID 123 (F):        H         8.632         8.632         8.255         0.377
RESID 124 (G):        N       112.227       112.227       109.072         3.155
RESID 124 (G):        C       174.159       174.159       173.867         0.292
RESID 124 (G):       CA        46.478        46.478        45.500         0.978
RESID 124 (G):        H         7.974         7.974         7.910         0.064
RESID 125 (D):        N       124.513       124.513       117.274         7.239
RESID 125 (D):       HA         4.613         4.613         4.441         0.172
RESID 125 (D):        C       175.890       175.890       173.838         2.052
RESID 125 (D):       CA        54.541        54.541        55.093        -0.552
RESID 125 (D):       CB        40.610        40.610        40.901        -0.291
RESID 125 (D):        H         8.650         8.650         8.365         0.285
RESID 126 (F):        N       121.949       121.949       119.311         2.638
RESID 126 (F):       HA         4.152         4.152         4.620        -0.468
RESID 126 (F):        C       173.533       173.533       173.109         0.424
RESID 126 (F):       CA        58.831        58.831        56.745         2.086
RESID 126 (F):       CB        39.973        39.973        40.279        -0.306
RESID 126 (F):        H         7.640         7.640         7.689        -0.049
RESID 127 (D):        N       125.341       125.341       127.370        -2.029
RESID 127 (D):       HA         4.908         4.908         4.435         0.473
RESID 127 (D):       CA        48.718        48.718        49.161        -0.443
RESID 127 (D):       CB        41.151        41.151        42.617        -1.466
RESID 127 (D):        H         7.764         7.764         7.813        -0.049
RESID 128 (P):       HA         3.722         3.722         3.859        -0.137
RESID 128 (P):        C       179.160       179.160       177.511         1.649
RESID 128 (P):       CA        63.531        63.531        64.221        -0.690
RESID 128 (P):       CB        32.580        32.580        31.839         0.741
RESID 129 (D):        N       117.916       117.916       118.721        -0.805
RESID 129 (D):       HA         4.352         4.352         4.245         0.107
RESID 129 (D):        C       178.271       178.271       177.640         0.631
RESID 129 (D):       CA        56.905        56.905        57.410        -0.505
RESID 129 (D):       CB        39.712        39.712        40.721        -1.009
RESID 129 (D):        H         7.758         7.758         8.017        -0.259
RESID 130 (Q):        N       116.475       116.475       116.988        -0.513
RESID 130 (Q):       HA         3.827         3.827         3.994        -0.167
RESID 130 (Q):        C       176.033       176.033       178.430        -2.397
RESID 130 (Q):       CA        57.050        57.050        58.037        -0.987
RESID 130 (Q):       CB        27.825        27.825        27.799         0.026
RESID 130 (Q):        H         7.015         7.015         7.918        -0.903
RESID 131 (Y):        N       114.293       114.293       118.273        -3.980
RESID 131 (Y):       HA         4.716         4.716         4.426         0.290
RESID 131 (Y):        C       174.868       174.868       177.541        -2.673
RESID 131 (Y):       CA        57.346        57.346        57.381        -0.035
RESID 131 (Y):       CB        39.648        39.648        37.557         2.091
RESID 131 (Y):        H         6.769         6.769         7.103        -0.334
RESID 132 (E):        N       119.006       119.006       121.280        -2.274
RESID 132 (E):       HA         3.928         3.928         3.961        -0.033
RESID 132 (E):        C       178.378       178.378       178.581        -0.203
RESID 132 (E):       CA        60.171        60.171        59.909         0.262
RESID 132 (E):       CB        30.065        30.065        29.171         0.894
RESID 132 (E):        H         6.833         6.833         8.469        -1.636
RESID 133 (E):        N       119.319       119.319       117.656         1.663
RESID 133 (E):       HA         4.022         4.022         3.987         0.035
RESID 133 (E):        C       177.728       177.728       178.686        -0.958
RESID 133 (E):       CA        59.325        59.325        59.342        -0.017
RESID 133 (E):       CB        28.294        28.294        29.011        -0.717
RESID 133 (E):        H         8.611         8.611         7.765         0.846
RESID 134 (E):        N       122.908       122.908       120.640         2.268
RESID 134 (E):       HA         3.826         3.826         4.010        -0.184
RESID 134 (E):        C       177.780       177.780       178.770        -0.990
RESID 134 (E):       CA        59.062        59.062        58.889         0.173
RESID 134 (E):       CB        28.532        28.532        29.411        -0.879
RESID 134 (E):        H         8.094         8.094         7.685         0.409
RESID 135 (V):        N       118.079       118.079       116.795         1.284
RESID 135 (V):       HA         3.342         3.342         3.556        -0.214
RESID 135 (V):        C       177.633       177.633       177.714        -0.081
RESID 135 (V):       CA        65.657        65.657        65.904        -0.247
RESID 135 (V):       CB        31.449        31.449        31.337         0.112
RESID 135 (V):        H         8.085         8.085         8.164        -0.079
RESID 136 (R):        N       117.865       117.865       120.559        -2.694
RESID 136 (R):       HA         3.125         3.125         4.090        -0.965
RESID 136 (R):        C       179.034       179.034       177.748         1.286
RESID 136 (R):       CA        59.253        59.253        59.093         0.160
RESID 136 (R):       CB        29.856        29.856        29.770         0.086
RESID 136 (R):        H         7.456         7.456         7.619        -0.163
RESID 137 (E):        N       120.727       120.727       117.600         3.127
RESID 137 (E):       HA         3.714         3.714         4.061        -0.347
RESID 137 (E):        C       178.690       178.690       178.804        -0.114
RESID 137 (E):       CA        59.274        59.274        58.789         0.485
RESID 137 (E):       CB        29.360        29.360        29.726        -0.366
RESID 137 (E):        H         8.517         8.517         7.678         0.839
RESID 138 (R):        N       115.311       115.311       118.730        -3.419
RESID 138 (R):       HA         3.567         3.567         3.946        -0.379
RESID 138 (R):        C       178.897       178.897       177.830         1.067
RESID 138 (R):       CA        58.754        58.754        58.408         0.346
RESID 138 (R):       CB        29.960        29.960        29.177         0.783
RESID 138 (R):        H         8.090         8.090         7.482         0.608
RESID 139 (W):        N       114.241       114.241       117.711        -3.470
RESID 139 (W):       HA         5.078         5.078         4.803         0.275
RESID 139 (W):        C       177.169       177.169       177.503        -0.334
RESID 139 (W):       CA        56.174        56.174        57.678        -1.504
RESID 139 (W):       CB        28.194        28.194        29.533        -1.339
RESID 139 (W):        H         7.805         7.805         7.363         0.442
RESID 140 (G):        N       110.185       110.185       107.662         2.523
RESID 140 (G):        C       173.518       173.518       174.274        -0.756
RESID 140 (G):       CA        46.717        46.717        46.776        -0.059
RESID 140 (G):        H         7.639         7.639         8.151        -0.512
RESID 141 (N):        N       116.211       116.211       111.953         4.258
RESID 141 (N):       HA         5.069         5.069         4.696         0.373
RESID 141 (N):        C       175.838       175.838       174.428         1.410
RESID 141 (N):       CA        52.249        52.249        52.622        -0.373
RESID 141 (N):       CB        38.104        38.104        37.898         0.206
RESID 141 (N):        H         8.387         8.387         8.489        -0.102
RESID 142 (T):        N       110.347       110.347       115.271        -4.924
RESID 142 (T):       HA         4.704         4.704         4.524         0.180
RESID 142 (T):        C       175.832       175.832       174.982         0.850
RESID 142 (T):       CA        61.180        61.180        61.433        -0.253
RESID 142 (T):       CB        72.857        72.857        70.417         2.440
RESID 142 (T):        H         7.907         7.907         7.763         0.144
RESID 143 (D):        N       123.392       123.392       127.823        -4.431
RESID 143 (D):       HA         4.565         4.565         4.313         0.252
RESID 143 (D):        C       178.225       178.225       177.255         0.970
RESID 143 (D):       CA        57.387        57.387        57.980        -0.593
RESID 143 (D):       CB        40.346        40.346        40.526        -0.180
RESID 143 (D):        H         8.985         8.985         8.804         0.181
RESID 144 (A):        N       122.309       122.309       121.556         0.753
RESID 144 (A):       HA         3.963         3.963         3.395         0.568
RESID 144 (A):        C       179.688       179.688       178.350         1.338
RESID 144 (A):       CA        55.136        55.136        54.875         0.261
RESID 144 (A):       CB        17.566        17.566        17.482         0.084
RESID 144 (A):        H         8.476         8.476         7.915         0.561
RESID 145 (Y):        N       117.438       117.438       119.246        -1.808
RESID 145 (Y):       HA         4.283         4.283         4.229         0.054
RESID 145 (Y):        C       177.433       177.433       177.620        -0.187
RESID 145 (Y):       CA        62.243        62.243        59.305         2.938
RESID 145 (Y):       CB        40.171        40.171        37.921         2.250
RESID 145 (Y):        H         8.432         8.432         7.870         0.562
RESID 146 (R):        N       119.518       119.518       116.972         2.546
RESID 146 (R):       HA         3.847         3.847         3.593         0.254
RESID 146 (R):        C       179.450       179.450       178.856         0.594
RESID 146 (R):       CA        60.242        60.242        59.479         0.763
RESID 146 (R):       CB        30.115        30.115        29.682         0.433
RESID 146 (R):        H         7.787         7.787         7.541         0.246
RESID 147 (Q):        N       118.457       118.457       118.137         0.320
RESID 147 (Q):       HA         4.101         4.101         4.208        -0.107
RESID 147 (Q):        C       178.807       178.807       178.256         0.551
RESID 147 (Q):       CA        59.183        59.183        58.843         0.340
RESID 147 (Q):       CB        28.878        28.878        28.204         0.674
RESID 147 (Q):        H         8.960         8.960         7.840         1.120
RESID 148 (S):        N       115.758       115.758       116.832        -1.074
RESID 148 (S):       HA         4.979         4.979         4.183         0.796
RESID 148 (S):        C       178.074       178.074       176.667         1.407
RESID 148 (S):       CA        61.511        61.511        62.312        -0.801
RESID 148 (S):       CB        63.392        63.392        63.086         0.306
RESID 148 (S):        H         8.604         8.604         7.906         0.698
RESID 149 (K):        N       125.190       125.190       120.437         4.753
RESID 149 (K):       HA         4.022         4.022         3.988         0.034
RESID 149 (K):        C       178.788       178.788       178.904        -0.116
RESID 149 (K):       CA        58.707        58.707        59.610        -0.903
RESID 149 (K):       CB        31.465        31.465        32.099        -0.634
RESID 149 (K):        H         8.405         8.405         7.571         0.834
RESID 150 (E):        N       118.050       118.050       119.527        -1.477
RESID 150 (E):       HA         4.023         4.023         3.990         0.033
RESID 150 (E):        C       179.065       179.065       178.460         0.605
RESID 150 (E):       CA        58.880        58.880        59.337        -0.457
RESID 150 (E):       CB        29.660        29.660        29.734        -0.074
RESID 150 (E):        H         7.509         7.509         7.751        -0.242
RESID 151 (K):        N       118.439       118.439       115.289         3.150
RESID 151 (K):       HA         3.782         3.782         4.157        -0.375
RESID 151 (K):        C       178.865       178.865       178.861         0.004
RESID 151 (K):       CA        59.365        59.365        58.335         1.030
RESID 151 (K):       CB        32.923        32.923        32.629         0.294
RESID 151 (K):        H         8.296         8.296         8.149         0.147
RESID 152 (T):        N       106.470       106.470       115.980        -9.510
RESID 152 (T):       HA         4.407         4.407         3.619         0.788
RESID 152 (T):       CA        63.772        63.772        65.937        -2.165
RESID 152 (T):       CB        70.040        70.040        68.885         1.155
RESID 152 (T):        H         8.304         8.304         8.308        -0.004
RESID 153 (A):        N       123.491       123.491       122.353         1.138
RESID 153 (A):       HA         4.252         4.252         4.450        -0.198
RESID 153 (A):        C       178.775       178.775       178.323         0.452
RESID 153 (A):       CA        54.906        54.906        54.383         0.523
RESID 153 (A):       CB        18.604        18.604        18.497         0.107
RESID 153 (A):        H         7.318         7.318         7.624        -0.306
RESID 154 (S):        N       108.783       108.783       112.536        -3.753
RESID 154 (S):       HA         4.569         4.569         4.375         0.194
RESID 154 (S):        C       174.926       174.926       174.948        -0.022
RESID 154 (S):       CA        57.983        57.983        58.922        -0.939
RESID 154 (S):        H         7.295         7.295         7.615        -0.320
RESID 155 (Y):        N       121.552       121.552       122.832        -1.280
RESID 155 (Y):       HA         5.148         5.148         4.381         0.767
RESID 155 (Y):        C       177.850       177.850       176.139         1.711
RESID 155 (Y):       CA        54.351        54.351        57.402        -3.051
RESID 155 (Y):       CB        36.657        36.657        38.077        -1.420
RESID 155 (Y):        H         7.129         7.129         7.571        -0.442
RESID 156 (T):        N       116.123       116.123       117.342        -1.219
RESID 156 (T):       HA         4.817         4.817         4.563         0.254
RESID 156 (T):        C       175.913       175.913       175.655         0.258
RESID 156 (T):       CA        60.021        60.021        59.148         0.873
RESID 156 (T):       CB        72.051        72.051        70.805         1.246
RESID 156 (T):        H         9.749         9.749         8.077         1.672
RESID 157 (K):        N       121.193       121.193       121.829        -0.636
RESID 157 (K):       HA         3.874         3.874         4.140        -0.266
RESID 157 (K):        C       177.224       177.224       178.568        -1.344
RESID 157 (K):       CA        61.575        61.575        60.315         1.260
RESID 157 (K):       CB        31.986        31.986        32.467        -0.481
RESID 157 (K):        H         9.322         9.322         8.896         0.426
RESID 158 (E):        N       115.842       115.842       117.768        -1.926
RESID 158 (E):       HA         4.015         4.015         3.939         0.076
RESID 158 (E):        C       179.589       179.589       178.698         0.891
RESID 158 (E):       CA        59.880        59.880        59.492         0.388
RESID 158 (E):       CB        28.939        28.939        28.629         0.310
RESID 158 (E):        H         8.414         8.414         8.574        -0.160
RESID 159 (D):        N       119.833       119.833       120.204        -0.371
RESID 159 (D):       HA         4.145         4.145         4.161        -0.016
RESID 159 (D):        C       177.210       177.210       178.098        -0.888
RESID 159 (D):       CA        57.273        57.273        56.586         0.687
RESID 159 (D):       CB        40.562        40.562        39.999         0.563
RESID 159 (D):        H         7.341         7.341         7.324         0.017
RESID 160 (W):        N       117.696       117.696       121.149        -3.453
RESID 160 (W):       HA         4.227         4.227         4.240        -0.013
RESID 160 (W):        C       178.283       178.283       178.692        -0.409
RESID 160 (W):       CA        60.400        60.400        59.210         1.190
RESID 160 (W):       CB        29.643        29.643        29.438         0.205
RESID 160 (W):        H         7.892         7.892         7.325         0.567
RESID 161 (Q):        N       118.386       118.386       119.210        -0.824
RESID 161 (Q):       HA         3.841         3.841         3.838         0.003
RESID 161 (Q):        C       177.368       177.368       178.073        -0.705
RESID 161 (Q):       CA        58.701        58.701        58.950        -0.249
RESID 161 (Q):       CB        28.879        28.879        28.247         0.632
RESID 161 (Q):        H         8.665         8.665         8.244         0.421
RESID 162 (R):        N       120.270       120.270       119.675         0.595
RESID 162 (R):       HA         4.039         4.039         4.015         0.024
RESID 162 (R):        C       178.441       178.441       179.139        -0.698
RESID 162 (R):       CA        59.688        59.688        59.310         0.378
RESID 162 (R):       CB        28.707        28.707        29.871        -1.164
RESID 162 (R):        H         7.530         7.530         7.586        -0.056
RESID 163 (I):        N       119.856       119.856       120.673        -0.817
RESID 163 (I):       HA         3.272         3.272         3.800        -0.528
RESID 163 (I):        C       179.233       179.233       178.293         0.940
RESID 163 (I):       CA        65.686        65.686        63.546         2.140
RESID 163 (I):       CB        38.278        38.278        37.669         0.609
RESID 163 (I):        H         7.971         7.971         7.667         0.304
RESID 164 (Q):        N       121.268       121.268       119.086         2.182
RESID 164 (Q):       HA         4.266         4.266         3.881         0.385
RESID 164 (Q):        C       178.794       178.794       178.628         0.166
RESID 164 (Q):       CA        58.115        58.115        59.004        -0.889
RESID 164 (Q):       CB        29.475        29.475        27.818         1.657
RESID 164 (Q):        H         8.601         8.601         8.771        -0.170
RESID 165 (D):        N       122.162       122.162       118.731         3.431
RESID 165 (D):       HA         4.428         4.428         4.287         0.141
RESID 165 (D):        C       179.896       179.896       178.357         1.539
RESID 165 (D):       CA        57.546        57.546        57.759        -0.213
RESID 165 (D):       CB        39.524        39.524        40.708        -1.184
RESID 165 (D):        H         8.711         8.711         8.551         0.160
RESID 166 (E):        N       121.227       121.227       119.674         1.553
RESID 166 (E):       HA         3.956         3.956         4.095        -0.139
RESID 166 (E):        C       180.125       180.125       178.281         1.844
RESID 166 (E):       CA        59.288        59.288        59.001         0.287
RESID 166 (E):       CB        29.458        29.458        29.231         0.227
RESID 166 (E):        H         8.566         8.566         7.472         1.094
RESID 167 (A):        N       123.246       123.246       122.146         1.100
RESID 167 (A):       HA         4.255         4.255         3.884         0.371
RESID 167 (A):        C       180.675       180.675       179.631         1.044
RESID 167 (A):       CA        55.207        55.207        55.244        -0.037
RESID 167 (A):       CB        18.141        18.141        18.129         0.012
RESID 167 (A):        H         7.929         7.929         8.132        -0.203
RESID 168 (D):        N       120.476       120.476       118.800         1.676
RESID 168 (D):       HA         4.441         4.441         4.239         0.202
RESID 168 (D):        C       178.499       178.499       178.137         0.362
RESID 168 (D):       CA        57.433        57.433        57.526        -0.093
RESID 168 (D):       CB        40.758        40.758        40.893        -0.135
RESID 168 (D):        H         8.670         8.670         8.478         0.192
RESID 169 (E):        N       120.325       120.325       120.418        -0.093
RESID 169 (E):       HA         4.041         4.041         4.000         0.041
RESID 169 (E):        C       178.994       178.994       178.736         0.258
RESID 169 (E):       CA        59.375        59.375        59.207         0.168
RESID 169 (E):       CB        28.864        28.864        29.367        -0.503
RESID 169 (E):        H         8.079         8.079         7.877         0.202
RESID 170 (L):        N       120.582       120.582       118.610         1.972
RESID 170 (L):       HA         4.131         4.131         4.042         0.089
RESID 170 (L):        C       179.013       179.013       178.528         0.485
RESID 170 (L):       CA        58.045        58.045        57.834         0.211
RESID 170 (L):       CB        41.675        41.675        41.697        -0.022
RESID 170 (L):        H         7.615         7.615         8.283        -0.668
RESID 171 (T):        N       118.834       118.834       116.513         2.321
RESID 171 (T):       HA         4.036         4.036         3.816         0.220
RESID 171 (T):        C       175.899       175.899       176.421        -0.522
RESID 171 (T):       CA        68.163        68.163        67.373         0.790
RESID 171 (T):       CB        68.338        68.338        68.394        -0.056
RESID 171 (T):        H         8.815         8.815         8.036         0.779
RESID 172 (R):        N       118.894       118.894       121.468        -2.574
RESID 172 (R):       HA         3.885         3.885         3.881         0.004
RESID 172 (R):        C       179.660       179.660       178.792         0.868
RESID 172 (R):       CA        60.269        60.269        60.458        -0.189
RESID 172 (R):       CB        29.990        29.990        30.024        -0.034
RESID 172 (R):        H         8.249         8.249         8.545        -0.296
RESID 173 (R):        N       120.681       120.681       118.780         1.901
RESID 173 (R):       HA         4.030         4.030         4.187        -0.157
RESID 173 (R):        C       179.645       179.645       178.935         0.710
RESID 173 (R):       CA        59.615        59.615        59.193         0.422
RESID 173 (R):       CB        30.566        30.566        29.688         0.878
RESID 173 (R):        H         7.961         7.961         8.019        -0.058
RESID 174 (F):        N       118.546       118.546       120.217        -1.671
RESID 174 (F):       HA         4.292         4.292         4.366        -0.074
RESID 174 (F):        C       178.154       178.154       178.193        -0.039
RESID 174 (F):       CA        63.590        63.590        60.617         2.973
RESID 174 (F):       CB        40.383        40.383        38.200         2.183
RESID 174 (F):        H         8.548         8.548         8.049         0.499
RESID 175 (V):        N       118.935       118.935       120.551        -1.616
RESID 175 (V):       HA         3.373         3.373         3.557        -0.184
RESID 175 (V):        C       177.099       177.099       177.989        -0.890
RESID 175 (V):       CA        67.334        67.334        66.858         0.476
RESID 175 (V):       CB        31.745        31.745        31.054         0.691
RESID 175 (V):        H         8.770         8.770         8.865        -0.095
RESID 176 (A):        N       120.243       120.243       121.821        -1.578
RESID 176 (A):       HA         4.162         4.162         4.073         0.089
RESID 176 (A):        C       181.643       181.643       179.309         2.334
RESID 176 (A):       CA        55.105        55.105        55.158        -0.053
RESID 176 (A):       CB        17.765        17.765        18.752        -0.987
RESID 176 (A):        H         7.967         7.967         8.040        -0.073
RESID 177 (L):        N       121.411       121.411       115.871         5.540
RESID 177 (L):       HA         3.938         3.938         4.267        -0.329
RESID 177 (L):        C       178.694       178.694       178.456         0.238
RESID 177 (L):       CA        58.611        58.611        57.622         0.989
RESID 177 (L):       CB        41.513        41.513        42.084        -0.571
RESID 177 (L):        H         7.634         7.634         8.048        -0.414
RESID 178 (M):        N       118.652       118.652       119.945        -1.293
RESID 178 (M):       HA         3.564         3.564         3.640        -0.076
RESID 178 (M):        C       181.569       181.569       178.167         3.402
RESID 178 (M):       CA        59.718        59.718        57.718         2.000
RESID 178 (M):       CB        33.450        33.450        31.119         2.331
RESID 178 (M):        H         7.940         7.940         8.847        -0.907
RESID 179 (D):        N       121.310       121.310       121.175         0.135
RESID 179 (D):       HA         4.371         4.371         4.303         0.068
RESID 179 (D):        C       177.730       177.730       177.615         0.115
RESID 179 (D):       CA        56.932        56.932        56.694         0.238
RESID 179 (D):       CB        39.826        39.826        40.590        -0.764
RESID 179 (D):        H         9.022         9.022         8.437         0.586
RESID 180 (A):        N       120.199       120.199       120.189         0.010
RESID 180 (A):       HA         4.357         4.357         4.218         0.139
RESID 180 (A):        C       177.935       177.935       178.012        -0.077
RESID 180 (A):       CA        52.276        52.276        52.292        -0.016
RESID 180 (A):       CB        19.028        19.028        18.543         0.485
RESID 180 (A):        H         7.667         7.667         7.705        -0.038
RESID 181 (G):        N       107.115       107.115       106.275         0.840
RESID 181 (G):        C       175.650       175.650       174.458         1.192
RESID 181 (G):       CA        45.480        45.480        44.979         0.501
RESID 181 (G):        H         7.916         7.916         7.860         0.056
RESID 182 (E):        N       120.055       120.055       121.986        -1.931
RESID 182 (E):       HA         4.701         4.701         4.663         0.038
RESID 182 (E):       CA        54.158        54.158        53.250         0.908
RESID 182 (E):       CB        28.461        28.461        30.209        -1.748
RESID 182 (E):        H         7.887         7.887         7.626         0.261
RESID 183 (P):       HA         4.729         4.729         4.456         0.273
RESID 183 (P):        C       177.156       177.156       177.096         0.060
RESID 183 (P):       CA        62.595        62.595        62.916        -0.321
RESID 183 (P):       CB        33.002        33.002        32.794         0.208
RESID 184 (A):        N       124.966       124.966       123.389         1.577
RESID 184 (A):       HA         3.372         3.372         3.865        -0.493
RESID 184 (A):        C       173.383       173.383       177.981        -4.598
RESID 184 (A):       CA        54.234        54.234        53.936         0.298
RESID 184 (A):       CB        19.100        19.100        18.410         0.690
RESID 184 (A):        H         9.082         9.082         8.632         0.450
RESID 185 (D):        N       107.028       107.028       116.389        -9.361
RESID 185 (D):       HA         4.474         4.474         4.623        -0.149
RESID 185 (D):        C       176.790       176.790       175.655         1.135
RESID 185 (D):       CA        50.914        50.914        53.760        -2.846
RESID 185 (D):       CB        39.354        39.354        40.448        -1.094
RESID 185 (D):        H         7.364         7.364         8.410        -1.046
RESID 186 (S):        N       113.421       113.421       115.963        -2.542
RESID 186 (S):       HA         4.328         4.328         4.424        -0.096
RESID 186 (S):        C       174.699       174.699       175.767        -1.068
RESID 186 (S):       CA        57.769        57.769        59.196        -1.427
RESID 186 (S):       CB        65.781        65.781        64.583         1.198
RESID 186 (S):        H         7.676         7.676         7.503         0.173
RESID 187 (E):        N       121.832       121.832       126.395        -4.563
RESID 187 (E):       HA         3.698         3.698         4.053        -0.355
RESID 187 (E):        C       178.242       178.242       178.636        -0.394
RESID 187 (E):       CA        60.525        60.525        60.876        -0.351
RESID 187 (E):       CB        29.271        29.271        29.287        -0.016
RESID 187 (E):        H         9.064         9.064         8.976         0.088
RESID 188 (G):        N       103.385       103.385       107.551        -4.166
RESID 188 (G):        C       176.865       176.865       175.573         1.292
RESID 188 (G):       CA        47.142        47.142        46.843         0.299
RESID 188 (G):        H         8.688         8.688         8.508         0.180
RESID 189 (A):        N       125.710       125.710       124.489         1.221
RESID 189 (A):       HA         4.040         4.040         4.084        -0.044
RESID 189 (A):        C       179.646       179.646       179.477         0.169
RESID 189 (A):       CA        55.511        55.511        54.518         0.993
RESID 189 (A):       CB        18.211        18.211        18.338        -0.127
RESID 189 (A):        H         7.716         7.716         7.577         0.139
RESID 190 (M):        N       117.503       117.503       116.999         0.504
RESID 190 (M):       HA         4.060         4.060         4.058         0.002
RESID 190 (M):        C       178.705       178.705       177.858         0.847
RESID 190 (M):       CA        60.473        60.473        58.712         1.761
RESID 190 (M):       CB        33.599        33.599        32.374         1.225
RESID 190 (M):        H         8.569         8.569         8.716        -0.147
RESID 191 (D):        N       119.826       119.826       120.249        -0.423
RESID 191 (D):       HA         4.276         4.276         4.425        -0.149
RESID 191 (D):        C       178.528       178.528       178.312         0.216
RESID 191 (D):       CA        57.152        57.152        57.259        -0.107
RESID 191 (D):       CB        39.009        39.009        40.110        -1.101
RESID 191 (D):        H         8.820         8.820         8.059         0.761
RESID 192 (A):        N       123.880       123.880       122.493         1.387
RESID 192 (A):       HA         3.905         3.905         4.254        -0.349
RESID 192 (A):        C       179.032       179.032       179.665        -0.633
RESID 192 (A):       CA        55.448        55.448        54.974         0.475
RESID 192 (A):       CB        15.703        15.703        18.024        -2.321
RESID 192 (A):        H         7.544         7.544         7.244         0.300
RESID 193 (A):        N       120.855       120.855       121.278        -0.423
RESID 193 (A):       HA         4.358         4.358         4.046         0.312
RESID 193 (A):        C       179.427       179.427       179.599        -0.172
RESID 193 (A):       CA        55.521        55.521        55.247         0.274
RESID 193 (A):       CB        18.361        18.361        18.120         0.241
RESID 193 (A):        H         8.435         8.435         7.896         0.539
RESID 194 (E):        N       122.123       122.123       119.443         2.680
RESID 194 (E):       HA         4.375         4.375         4.028         0.347
RESID 194 (E):        C       178.565       178.565       178.698        -0.133
RESID 194 (E):       CA        58.780        58.780        59.907        -1.127
RESID 194 (E):       CB        27.301        27.301        29.493        -2.192
RESID 194 (E):        H         8.778         8.778         7.913         0.865
RESID 195 (D):        N       121.253       121.253       119.114         2.139
RESID 195 (D):       HA         4.408         4.408         4.395         0.013
RESID 195 (D):        C       179.882       179.882       178.407         1.475
RESID 195 (D):       CA        57.421        57.421        57.155         0.266
RESID 195 (D):       CB        39.518        39.518        40.840        -1.322
RESID 195 (D):        H         8.213         8.213         7.918         0.295
RESID 196 (H):        N       124.862       124.862       120.421         4.441
RESID 196 (H):       HA         4.172         4.172         4.259        -0.087
RESID 196 (H):        C       177.779       177.779       177.783        -0.004
RESID 196 (H):       CA        61.442        61.442        59.982         1.460
RESID 196 (H):       CB        31.474        31.474        30.363         1.111
RESID 196 (H):        H         8.857         8.857         8.343         0.514
RESID 197 (R):        N       123.019       123.019       118.860         4.159
RESID 197 (R):       HA         3.001         3.001         3.819        -0.818
RESID 197 (R):        C       178.632       178.632       178.898        -0.266
RESID 197 (R):       CA        60.121        60.121        59.118         1.003
RESID 197 (R):       CB        30.529        30.529        29.823         0.706
RESID 197 (R):        H         8.371         8.371         8.828        -0.457
RESID 198 (Q):        N       114.857       114.857       118.479        -3.622
RESID 198 (Q):       HA         3.780         3.780         3.977        -0.197
RESID 198 (Q):        C       179.002       179.002       178.791         0.211
RESID 198 (Q):       CA        58.513        58.513        59.089        -0.576
RESID 198 (Q):       CB        27.753        27.753        28.099        -0.346
RESID 198 (Q):        H         8.283         8.283         8.727        -0.444
RESID 199 (G):        N       109.227       109.227       106.516         2.711
RESID 199 (G):        C       175.335       175.335       175.626        -0.291
RESID 199 (G):       CA        46.966        46.966        46.260         0.706
RESID 199 (G):        H         8.177         8.177         7.799         0.378
RESID 200 (I):        N       123.036       123.036       121.557         1.479
RESID 200 (I):       HA         3.493         3.493         3.576        -0.083
RESID 200 (I):        C       178.329       178.329       176.313         2.016
RESID 200 (I):       CA        64.940        64.940        63.282         1.658
RESID 200 (I):       CB        36.330        36.330        38.015        -1.685
RESID 200 (I):        H         7.474         7.474         7.661        -0.187
RESID 201 (A):        N       121.122       121.122       120.934         0.188
RESID 201 (A):       HA         4.501         4.501         4.063         0.438
RESID 201 (A):        C       179.480       179.480       179.058         0.422
RESID 201 (A):       CA        53.082        53.082        54.206        -1.124
RESID 201 (A):       CB        18.054        18.054        18.632        -0.578
RESID 201 (A):        H         7.739         7.739         7.474         0.265
RESID 202 (R):        N       115.981       115.981       114.381         1.600
RESID 202 (R):       HA         3.853         3.853         4.133        -0.280
RESID 202 (R):        C       177.874       177.874       176.954         0.920
RESID 202 (R):       CA        58.391        58.391        56.706         1.685
RESID 202 (R):       CB        31.163        31.163        29.925         1.238
RESID 202 (R):        H         7.968         7.968         7.462         0.506
RESID 203 (N):        N       111.860       111.860       114.550        -2.690
RESID 203 (N):       HA         4.362         4.362         4.758        -0.396
RESID 203 (N):        C       175.317       175.317       175.181         0.136
RESID 203 (N):       CA        53.644        53.644        53.776        -0.132
RESID 203 (N):       CB        40.307        40.307        41.143        -0.836
RESID 203 (N):        H         7.591         7.591         7.390         0.201
RESID 204 (H):        N       118.469       118.469       114.619         3.850
RESID 204 (H):       HA         4.670         4.670         4.762        -0.092
RESID 204 (H):        C       172.483       172.483       173.321        -0.838
RESID 204 (H):       CA        59.079        59.079        55.801         3.278
RESID 204 (H):       CB        33.877        33.877        31.067         2.810
RESID 204 (H):        H         8.389         8.389         7.101         1.288
RESID 205 (Y):        N       111.831       111.831       114.577        -2.746
RESID 205 (Y):       HA         4.363         4.363         4.726        -0.363
RESID 205 (Y):        C       173.387       173.387       172.975         0.412
RESID 205 (Y):       CA        56.400        56.400        56.232         0.168
RESID 205 (Y):       CB        39.523        39.523        38.925         0.598
RESID 205 (Y):        H         7.240         7.240         7.283        -0.043
RESID 206 (D):        N       117.047       117.047       121.061        -4.014
RESID 206 (D):       HA         4.033         4.033         4.842        -0.809
RESID 206 (D):        C       175.864       175.864       175.419         0.445
RESID 206 (D):       CA        56.391        56.391        54.859         1.532
RESID 206 (D):       CB        40.166        40.166        40.608        -0.442
RESID 206 (D):        H         8.304         8.304         8.522        -0.218
RESID 207 (C):        N       125.983       125.983       123.533         2.450
RESID 207 (C):       HA         4.694         4.694         4.685         0.009
RESID 207 (C):        C       172.708       172.708       174.329        -1.621
RESID 207 (C):       CA        57.910        57.910        58.124        -0.214
RESID 207 (C):       CB        26.861        26.861        31.698        -4.837
RESID 207 (C):        H         7.581         7.581         8.080        -0.499
RESID 208 (G):        N       113.288       113.288       109.161         4.127
RESID 208 (G):        C       173.509       173.509       174.451        -0.942
RESID 208 (G):       CA        44.579        44.579        43.639         0.940
RESID 208 (G):        H         8.359         8.359         8.272         0.087
RESID 209 (Y):        N       116.731       116.731       119.616        -2.885
RESID 209 (Y):       HA         3.965         3.965         4.277        -0.312
RESID 209 (Y):        C       177.981       177.981       177.837         0.144
RESID 209 (Y):       CA        64.964        64.964        61.827         3.137
RESID 209 (Y):       CB        38.046        38.046        38.636        -0.590
RESID 209 (Y):        H         8.283         8.283         8.416        -0.133
RESID 210 (E):        N       119.927       119.927       119.825         0.102
RESID 210 (E):       HA         4.089         4.089         4.079         0.010
RESID 210 (E):        C       178.511       178.511       178.866        -0.355
RESID 210 (E):       CA        60.166        60.166        59.778         0.388
RESID 210 (E):       CB        28.747        28.747        29.314        -0.568
RESID 210 (E):        H         8.870         8.870         8.763         0.107
RESID 211 (M):        N       120.242       120.242       117.556         2.686
RESID 211 (M):       HA         3.914         3.914         4.163        -0.249
RESID 211 (M):       CA        57.257        57.257        57.937        -0.680
RESID 211 (M):       CB        31.938        31.938        31.198         0.740
RESID 211 (M):        H         8.047         8.047         7.980         0.067
RESID 212 (H):        N       120.018       120.018       116.862         3.156
RESID 212 (H):       HA         3.977         3.977         4.450        -0.473
RESID 212 (H):        C       178.034       178.034       177.008         1.026
RESID 212 (H):       CA        59.099        59.099        58.137         0.962
RESID 212 (H):       CB        33.381        33.381        29.582         3.799
RESID 212 (H):        H         8.647         8.647         8.047         0.600
RESID 213 (T):        N       107.780       107.780       117.680        -9.900
RESID 213 (T):       HA         3.775         3.775         3.593         0.182
RESID 213 (T):        C       176.569       176.569       175.616         0.953
RESID 213 (T):       CA        65.841        65.841        67.600        -1.759
RESID 213 (T):       CB        68.584        68.584        68.733        -0.149
RESID 213 (T):        H         8.140         8.140         8.106         0.034
RESID 214 (C):        N       120.727       120.727       120.059         0.668
RESID 214 (C):       HA         4.039         4.039         4.205        -0.166
RESID 214 (C):       CA        63.078        63.078        61.108         1.970
RESID 214 (C):        H         7.337         7.337         7.661        -0.324
RESID 215 (L):        N       121.760       121.760       122.512        -0.752
RESID 215 (L):       HA         3.406         3.406         3.936        -0.530
RESID 215 (L):        C       176.549       176.549       178.860        -2.311
RESID 215 (L):       CA        57.581        57.581        57.380         0.201
RESID 215 (L):       CB        40.459        40.459        41.061        -0.602
RESID 215 (L):        H         7.696         7.696         7.307         0.389
RESID 216 (G):        N       101.717       101.717       104.655        -2.938
RESID 216 (G):        C       174.717       174.717       175.599        -0.882
RESID 216 (G):       CA        47.445        47.445        47.085         0.360
RESID 216 (G):        H         7.849         7.849         8.480        -0.631
RESID 217 (E):        N       115.126       115.126       121.442        -6.316
RESID 217 (E):       HA         4.021         4.021         4.162        -0.141
RESID 217 (E):        C       179.892       179.892       178.682         1.210
RESID 217 (E):       CA        58.378        58.378        58.489        -0.111
RESID 217 (E):       CB        28.933        28.933        29.345        -0.412
RESID 217 (E):        H         7.572         7.572         7.573        -0.001
RESID 218 (M):        N       123.032       123.032       118.594         4.438
RESID 218 (M):       HA         3.993         3.993         4.363        -0.370
RESID 218 (M):        C       177.036       177.036       177.984        -0.948
RESID 218 (M):       CA        58.596        58.596        56.468         2.128
RESID 218 (M):       CB        32.582        32.582        31.740         0.842
RESID 218 (M):        H         7.495         7.495         7.608        -0.113
RESID 219 (Y):        N       115.483       115.483       121.868        -6.385
RESID 219 (Y):       HA         4.174         4.174         3.984         0.190
RESID 219 (Y):        C       176.350       176.350       177.224        -0.874
RESID 219 (Y):       CA        56.530        56.530        60.601        -4.071
RESID 219 (Y):       CB        35.854        35.854        38.103        -2.249
RESID 219 (Y):        H         7.521         7.521         7.583        -0.062
RESID 220 (V):        N       109.054       109.054       116.075        -7.021
RESID 220 (V):       HA         4.022         4.022         3.782         0.240
RESID 220 (V):        C       176.266       176.266       177.603        -1.337
RESID 220 (V):       CA        62.095        62.095        64.288        -2.193
RESID 220 (V):       CB        32.980        32.980        31.866         1.114
RESID 220 (V):        H         6.817         6.817         7.875        -1.058
RESID 221 (S):        N       115.276       115.276       113.536         1.740
RESID 221 (S):       HA         4.368         4.368         4.253         0.115
RESID 221 (S):        C       174.071       174.071       174.989        -0.918
RESID 221 (S):       CA        59.950        59.950        60.637        -0.687
RESID 221 (S):       CB        63.608        63.608        63.516         0.092
RESID 221 (S):        H         8.278         8.278         7.780         0.498
RESID 222 (D):        N       122.686       122.686       121.565         1.121
RESID 222 (D):       HA         4.962         4.962         4.822         0.140
RESID 222 (D):        C       176.246       176.246       176.261        -0.015
RESID 222 (D):       CA        52.489        52.489        54.498        -2.009
RESID 222 (D):       CB        41.604        41.604        41.954        -0.350
RESID 222 (D):        H         8.238         8.238         7.644         0.594
RESID 223 (E):        N       124.836       124.836       125.571        -0.735
RESID 223 (E):       HA         4.306         4.306         4.112         0.194
RESID 223 (E):        C       177.201       177.201       178.238        -1.037
RESID 223 (E):       CA        58.566        58.566        59.537        -0.971
RESID 223 (E):       CB        29.326        29.326        29.918        -0.592
RESID 223 (E):        H         8.932         8.932         9.066        -0.134
RESID 224 (R):        N       117.537       117.537       117.496         0.041
RESID 224 (R):       HA         4.102         4.102         4.149        -0.047
RESID 224 (R):        C       181.161       181.161       178.874         2.287
RESID 224 (R):       CA        58.642        58.642        59.137        -0.495
RESID 224 (R):       CB        30.996        30.996        29.851         1.145
RESID 224 (R):        H         8.429         8.429         8.456        -0.027
RESID 225 (F):        N       116.733       116.733       118.686        -1.953
RESID 225 (F):       HA         4.149         4.149         4.505        -0.356
RESID 225 (F):        C       177.880       177.880       177.534         0.346
RESID 225 (F):       CA        60.916        60.916        61.789        -0.873
RESID 225 (F):       CB        39.728        39.728        38.963         0.765
RESID 225 (F):        H         7.830         7.830         7.638         0.192
RESID 226 (T):        N       116.162       116.162       115.706         0.456
RESID 226 (T):       HA         3.637         3.637         3.917        -0.280
RESID 226 (T):        C       176.142       176.142       176.345        -0.203
RESID 226 (T):       CA        67.025        67.025        66.945         0.080
RESID 226 (T):       CB        68.865        68.865        68.299         0.566
RESID 226 (T):        H         8.182         8.182         8.182         0.000
RESID 227 (R):        N       115.469       115.469       120.666        -5.197
RESID 227 (R):       HA         3.984         3.984         4.526        -0.542
RESID 227 (R):        C       178.758       178.758       178.354         0.404
RESID 227 (R):       CA        59.109        59.109        58.858         0.251
RESID 227 (R):       CB        30.331        30.331        29.975         0.356
RESID 227 (R):        H         8.388         8.388         8.487        -0.099
RESID 228 (N):        N       116.518       116.518       117.324        -0.806
RESID 228 (N):       HA         4.637         4.637         4.625         0.012
RESID 228 (N):        C       177.791       177.791       177.107         0.684
RESID 228 (N):       CA        55.214        55.214        55.907        -0.693
RESID 228 (N):       CB        38.118        38.118        38.594        -0.476
RESID 228 (N):        H         6.883         6.883         7.703        -0.820
RESID 229 (I):        N       122.529       122.529       119.457         3.072
RESID 229 (I):       HA         3.824         3.824         3.862        -0.038
RESID 229 (I):        C       178.564       178.564       177.366         1.198
RESID 229 (I):       CA        65.206        65.206        64.659         0.547
RESID 229 (I):       CB        39.514        39.514        38.411         1.103
RESID 229 (I):        H         8.636         8.636         8.059         0.577
RESID 230 (D):        N       118.458       118.458       120.136        -1.678
RESID 230 (D):       HA         4.686         4.686         4.512         0.174
RESID 230 (D):        C       177.491       177.491       178.132        -0.641
RESID 230 (D):       CA        55.594        55.594        56.172        -0.578
RESID 230 (D):       CB        38.864        38.864        39.731        -0.867
RESID 230 (D):        H         8.866         8.866         8.725         0.141
RESID 231 (A):        N       123.132       123.132       122.205         0.927
RESID 231 (A):       HA         4.053         4.053         4.078        -0.025
RESID 231 (A):        C       179.554       179.554       178.558         0.996
RESID 231 (A):       CA        54.925        54.925        54.508         0.417
RESID 231 (A):       CB        18.199        18.199        17.942         0.257
RESID 231 (A):        H         7.074         7.074         7.768        -0.694
RESID 232 (A):        N       116.232       116.232       118.752        -2.520
RESID 232 (A):       HA         4.203         4.203         4.271        -0.068
RESID 232 (A):        C       178.208       178.208       177.220         0.988
RESID 232 (A):       CA        53.686        53.686        52.623         1.062
RESID 232 (A):       CB        19.446        19.446        20.133        -0.687
RESID 232 (A):        H         7.505         7.505         7.672        -0.167
RESID 233 (K):        N       116.503       116.503       118.895        -2.392
RESID 233 (K):       HA         4.464         4.464         4.615        -0.151
RESID 233 (K):       CA        54.363        54.363        53.540         0.823
RESID 233 (K):       CB        34.836        34.836        35.081        -0.245
RESID 233 (K):        H         6.678         6.678         8.043        -1.365
RESID 234 (P):       HA         4.277         4.277         4.433        -0.156
RESID 234 (P):        C       177.398       177.398       177.302         0.096
RESID 234 (P):       CA        64.067        64.067        63.526         0.541
RESID 234 (P):       CB        31.749        31.749        31.339         0.410
RESID 235 (G):        N       112.543       112.543       112.027         0.516
RESID 235 (G):        C       174.848       174.848       173.357         1.491
RESID 235 (G):       CA        45.098        45.098        45.169        -0.071
RESID 235 (G):        H         8.705         8.705         8.592         0.113
RESID 236 (L):        N       126.659       126.659       119.434         7.225
RESID 236 (L):       HA         4.270         4.270         4.659        -0.389
RESID 236 (L):        C       177.242       177.242       176.512         0.730
RESID 236 (L):       CA        57.890        57.890        56.963         0.927
RESID 236 (L):       CB        41.658        41.658        42.278        -0.620
RESID 236 (L):        H         7.919         7.919         7.895         0.024
RESID 237 (A):        N       126.005       126.005       122.617         3.388
RESID 237 (A):       HA         3.745         3.745         3.840        -0.095
RESID 237 (A):        C       179.077       179.077       178.922         0.155
RESID 237 (A):       CA        56.464        56.464        55.077         1.387
RESID 237 (A):       CB        17.932        17.932        17.620         0.312
RESID 237 (A):        H        10.901        10.901         8.566         2.335
RESID 238 (A):        N       118.189       118.189       120.612        -2.423
RESID 238 (A):       HA         3.764         3.764         4.109        -0.344
RESID 238 (A):        C       178.967       178.967       178.781         0.186
RESID 238 (A):       CA        54.549        54.549        54.469         0.080
RESID 238 (A):       CB        17.675        17.675        18.400        -0.725
RESID 238 (A):        H         8.168         8.168         8.571        -0.403
RESID 239 (Y):        N       121.259       121.259       120.470         0.789
RESID 239 (Y):       HA         4.073         4.073         4.627        -0.554
RESID 239 (Y):        C       177.802       177.802       177.827        -0.025
RESID 239 (Y):       CA        62.144        62.144        60.846         1.298
RESID 239 (Y):       CB        39.874        39.874        38.307         1.567
RESID 239 (Y):        H         7.940         7.940         8.327        -0.387
RESID 240 (M):        N       116.383       116.383       118.423        -2.040
RESID 240 (M):       HA         3.300         3.300         4.082        -0.782
RESID 240 (M):        C       177.926       177.926       178.314        -0.388
RESID 240 (M):       CA        60.325        60.325        60.158         0.167
RESID 240 (M):       CB        33.236        33.236        32.527         0.709
RESID 240 (M):        H         9.169         9.169         8.803         0.366
RESID 241 (R):        N       118.201       118.201       120.806        -2.605
RESID 241 (R):       HA         3.397         3.397         4.006        -0.609
RESID 241 (R):        C       178.188       178.188       178.122         0.066
RESID 241 (R):       CA        60.728        60.728        59.792         0.936
RESID 241 (R):       CB        28.104        28.104        29.873        -1.769
RESID 241 (R):        H         8.479         8.479         7.840         0.639
RESID 242 (D):        N       119.314       119.314       118.636         0.678
RESID 242 (D):       HA         4.165         4.165         4.315        -0.150
RESID 242 (D):        C       178.707       178.707       178.350         0.357
RESID 242 (D):       CA        57.489        57.489        56.837         0.652
RESID 242 (D):       CB        39.827        39.827        39.752         0.075
RESID 242 (D):        H         8.016         8.016         8.339        -0.323
RESID 243 (A):        N       127.195       127.195       122.672         4.523
RESID 243 (A):       HA         4.399         4.399         4.106         0.293
RESID 243 (A):        C       179.891       179.891       179.639         0.252
RESID 243 (A):       CA        54.946        54.946        54.310         0.636
RESID 243 (A):       CB        19.100        19.100        18.420         0.680
RESID 243 (A):        H         8.620         8.620         7.970         0.650
RESID 244 (I):        N       120.697       120.697       120.076         0.621
RESID 244 (I):       HA         3.540         3.540         3.657        -0.117
RESID 244 (I):        C       179.591       179.591       177.259         2.332
RESID 244 (I):       CA        65.737        65.737        63.524         2.213
RESID 244 (I):       CB        37.579        37.579        38.095        -0.516
RESID 244 (I):        H         8.871         8.871         8.358         0.513
RESID 245 (L):        N       121.753       121.753       120.542         1.211
RESID 245 (L):       HA         3.987         3.987         3.947         0.040
RESID 245 (L):        C       179.065       179.065       178.762         0.303
RESID 245 (L):       CA        58.462        58.462        57.546         0.916
RESID 245 (L):       CB        41.173        41.173        41.649        -0.476
RESID 245 (L):        H         8.311         8.311         8.131         0.180
RESID 246 (A):        N       121.174       121.174       120.112         1.062
RESID 246 (A):       HA         4.081         4.081         3.828         0.253
RESID 246 (A):        C       180.864       180.864       179.238         1.626
RESID 246 (A):       CA        55.306        55.306        55.112         0.194
RESID 246 (A):       CB        16.939        16.939        17.898        -0.959
RESID 246 (A):        H         8.100         8.100         7.935         0.165
RESID 247 (N):        N       117.391       117.391       117.183         0.208
RESID 247 (N):       HA         4.582         4.582         4.224         0.358
RESID 247 (N):        C       177.205       177.205       176.879         0.326
RESID 247 (N):       CA        56.362        56.362        55.713         0.649
RESID 247 (N):       CB        40.264        40.264        38.238         2.026
RESID 247 (N):        H         8.948         8.948         7.810         1.138
RESID 248 (A):        N       124.544       124.544       119.586         4.958
RESID 248 (A):       HA         3.917         3.917         3.949        -0.032
RESID 248 (A):        C       180.931       180.931       179.453         1.478
RESID 248 (A):       CA        55.851        55.851        54.610         1.241
RESID 248 (A):       CB        17.991        17.991        18.448        -0.457
RESID 248 (A):        H         8.432         8.432         7.456         0.976
RESID 249 (V):        N       120.469       120.469       119.716         0.753
RESID 249 (V):       HA         3.575         3.575         3.670        -0.095
RESID 249 (V):        C       179.608       179.608       177.790         1.818
RESID 249 (V):       CA        66.636        66.636        66.014         0.622
RESID 249 (V):       CB        31.449        31.449        31.526        -0.077
RESID 249 (V):        H         8.214         8.214         7.512         0.702
RESID 250 (R):        N       116.667       116.667       117.428        -0.761
RESID 250 (R):       HA         4.269         4.269         4.129         0.140
RESID 250 (R):        C       176.251       176.251       177.631        -1.380
RESID 250 (R):       CA        57.938        57.938        57.788         0.150
RESID 250 (R):       CB        28.897        28.897        29.772        -0.875
RESID 250 (R):        H         7.583         7.583         7.491         0.092
RESID 251 (H):        N       115.928       115.928       118.406        -2.478
RESID 251 (H):       HA         4.472         4.472         4.335         0.137
RESID 251 (H):        C       173.245       173.245       175.565        -2.320
RESID 251 (H):       CA        56.667        56.667        57.123        -0.456
RESID 251 (H):       CB        28.543        28.543        29.395        -0.852
RESID 251 (H):        H         7.163         7.163         7.718        -0.555
RESID 252 (T):        N       118.280       118.280       116.647         1.633
RESID 252 (T):       HA         4.517         4.517         4.154         0.363
RESID 252 (T):       CA        60.673        60.673        61.915        -1.242
RESID 252 (T):       CB        70.034        70.034        69.827         0.207
RESID 252 (T):        H         7.449         7.449         7.426         0.023

                         N          HA           C          CA          CB           H
RESID 113 (N):      -1.998      -0.140      -0.048       0.147      -1.269       0.038
RESID 114 (L):      -2.843       0.182       1.016      -0.238       0.461      -0.191
RESID 115 (T):       1.573      -0.050       -----       2.112      -1.781       0.970
RESID 116 (P):       -----       0.054       0.180       0.307      -0.297       -----
RESID 117 (E):      -0.094      -0.227       0.842       1.171      -0.717       0.188
RESID 118 (E):       1.658      -0.439      -0.506       0.714       2.041      -0.456
RESID 119 (K):      -2.695      -0.360      -0.924       0.759       0.390       0.017
RESID 120 (F):       1.101       0.329       -----      -0.468       0.194       0.026
RESID 121 (E):       2.142      -0.381       0.016       0.782       0.209       0.033
RESID 122 (V):      -5.212       0.048       0.688      -0.162       0.418       0.151
RESID 123 (F):      -0.850       0.141       1.362      -1.893      -0.454       0.377
RESID 124 (G):       3.155       -----       0.292       0.978       -----       0.064
RESID 125 (D):       7.239       0.172       2.052      -0.552      -0.291       0.285
RESID 126 (F):       2.638      -0.468       0.424       2.086      -0.306      -0.049
RESID 127 (D):      -2.029       0.473       -----      -0.443      -1.466      -0.049
RESID 128 (P):       -----      -0.137       1.649      -0.690       0.741       -----
RESID 129 (D):      -0.805       0.107       0.631      -0.505      -1.009      -0.259
RESID 130 (Q):      -0.513      -0.167      -2.397      -0.987       0.026      -0.903
RESID 131 (Y):      -3.980       0.290      -2.673      -0.035       2.091      -0.334
RESID 132 (E):      -2.274      -0.033      -0.203       0.262       0.894      -1.636
RESID 133 (E):       1.663       0.035      -0.958      -0.017      -0.717       0.846
RESID 134 (E):       2.268      -0.184      -0.990       0.173      -0.879       0.409
RESID 135 (V):       1.284      -0.214      -0.081      -0.247       0.112      -0.079
RESID 136 (R):      -2.694      -0.965       1.286       0.160       0.086      -0.163
RESID 137 (E):       3.127      -0.347      -0.114       0.485      -0.366       0.839
RESID 138 (R):      -3.419      -0.379       1.067       0.346       0.783       0.608
RESID 139 (W):      -3.470       0.275      -0.334      -1.504      -1.339       0.442
RESID 140 (G):       2.523       -----      -0.756      -0.059       -----      -0.512
RESID 141 (N):       4.258       0.373       1.410      -0.373       0.206      -0.102
RESID 142 (T):      -4.924       0.180       0.850      -0.253       2.440       0.144
RESID 143 (D):      -4.431       0.252       0.970      -0.593      -0.180       0.181
RESID 144 (A):       0.753       0.568       1.338       0.261       0.084       0.561
RESID 145 (Y):      -1.808       0.054      -0.187       2.938       2.250       0.562
RESID 146 (R):       2.546       0.254       0.594       0.763       0.433       0.246
RESID 147 (Q):       0.320      -0.107       0.551       0.340       0.674       1.120
RESID 148 (S):      -1.074       0.796       1.407      -0.801       0.306       0.698
RESID 149 (K):       4.753       0.034      -0.116      -0.903      -0.634       0.834
RESID 150 (E):      -1.477       0.033       0.605      -0.457      -0.074      -0.242
RESID 151 (K):       3.150      -0.375       0.004       1.030       0.294       0.147
RESID 152 (T):      -9.510       0.788       -----      -2.165       1.155      -0.004
RESID 153 (A):       1.138      -0.198       0.452       0.523       0.107      -0.306
RESID 154 (S):      -3.753       0.194      -0.022      -0.939       -----      -0.320
RESID 155 (Y):      -1.280       0.767       1.711      -3.051      -1.420      -0.442
RESID 156 (T):      -1.219       0.254       0.258       0.873       1.246       1.672
RESID 157 (K):      -0.636      -0.266      -1.344       1.260      -0.481       0.426
RESID 158 (E):      -1.926       0.076       0.891       0.388       0.310      -0.160
RESID 159 (D):      -0.371      -0.016      -0.888       0.687       0.563       0.017
RESID 160 (W):      -3.453      -0.013      -0.409       1.190       0.205       0.567
RESID 161 (Q):      -0.824       0.003      -0.705      -0.249       0.632       0.421
RESID 162 (R):       0.595       0.024      -0.698       0.378      -1.164      -0.056
RESID 163 (I):      -0.817      -0.528       0.940       2.140       0.609       0.304
RESID 164 (Q):       2.182       0.385       0.166      -0.889       1.657      -0.170
RESID 165 (D):       3.431       0.141       1.539      -0.213      -1.184       0.160
RESID 166 (E):       1.553      -0.139       1.844       0.287       0.227       1.094
RESID 167 (A):       1.100       0.371       1.044      -0.037       0.012      -0.203
RESID 168 (D):       1.676       0.202       0.362      -0.093      -0.135       0.192
RESID 169 (E):      -0.093       0.041       0.258       0.168      -0.503       0.202
RESID 170 (L):       1.972       0.089       0.485       0.211      -0.022      -0.668
RESID 171 (T):       2.321       0.220      -0.522       0.790      -0.056       0.779
RESID 172 (R):      -2.574       0.004       0.868      -0.189      -0.034      -0.296
RESID 173 (R):       1.901      -0.157       0.710       0.422       0.878      -0.058
RESID 174 (F):      -1.671      -0.074      -0.039       2.973       2.183       0.499
RESID 175 (V):      -1.616      -0.184      -0.890       0.476       0.691      -0.095
RESID 176 (A):      -1.578       0.089       2.334      -0.053      -0.987      -0.073
RESID 177 (L):       5.540      -0.329       0.238       0.989      -0.571      -0.414
RESID 178 (M):      -1.293      -0.076       3.402       2.000       2.331      -0.907
RESID 179 (D):       0.135       0.068       0.115       0.238      -0.764       0.586
RESID 180 (A):       0.010       0.139      -0.077      -0.016       0.485      -0.038
RESID 181 (G):       0.840       -----       1.192       0.501       -----       0.056
RESID 182 (E):      -1.931       0.038       -----       0.908      -1.748       0.261
RESID 183 (P):       -----       0.273       0.060      -0.321       0.208       -----
RESID 184 (A):       1.577      -0.493      -4.598       0.298       0.690       0.450
RESID 185 (D):      -9.361      -0.149       1.135      -2.846      -1.094      -1.046
RESID 186 (S):      -2.542      -0.096      -1.068      -1.427       1.198       0.173
RESID 187 (E):      -4.563      -0.355      -0.394      -0.351      -0.016       0.088
RESID 188 (G):      -4.166       -----       1.292       0.299       -----       0.180
RESID 189 (A):       1.221      -0.044       0.169       0.993      -0.127       0.139
RESID 190 (M):       0.504       0.002       0.847       1.761       1.225      -0.147
RESID 191 (D):      -0.423      -0.149       0.216      -0.107      -1.101       0.761
RESID 192 (A):       1.387      -0.349      -0.633       0.475      -2.321       0.300
RESID 193 (A):      -0.423       0.312      -0.172       0.274       0.241       0.539
RESID 194 (E):       2.680       0.347      -0.133      -1.127      -2.192       0.865
RESID 195 (D):       2.139       0.013       1.475       0.266      -1.322       0.295
RESID 196 (H):       4.441      -0.087      -0.004       1.460       1.111       0.514
RESID 197 (R):       4.159      -0.818      -0.266       1.003       0.706      -0.457
RESID 198 (Q):      -3.622      -0.197       0.211      -0.576      -0.346      -0.444
RESID 199 (G):       2.711       -----      -0.291       0.706       -----       0.378
RESID 200 (I):       1.479      -0.083       2.016       1.658      -1.685      -0.187
RESID 201 (A):       0.188       0.438       0.422      -1.124      -0.578       0.265
RESID 202 (R):       1.600      -0.280       0.920       1.685       1.238       0.506
RESID 203 (N):      -2.690      -0.396       0.136      -0.132      -0.836       0.201
RESID 204 (H):       3.850      -0.092      -0.838       3.278       2.810       1.288
RESID 205 (Y):      -2.746      -0.363       0.412       0.168       0.598      -0.043
RESID 206 (D):      -4.014      -0.809       0.445       1.532      -0.442      -0.218
RESID 207 (C):       2.450       0.009      -1.621      -0.214      -4.837      -0.499
RESID 208 (G):       4.127       -----      -0.942       0.940       -----       0.087
RESID 209 (Y):      -2.885      -0.312       0.144       3.137      -0.590      -0.133
RESID 210 (E):       0.102       0.010      -0.355       0.388      -0.568       0.107
RESID 211 (M):       2.686      -0.249       -----      -0.680       0.740       0.067
RESID 212 (H):       3.156      -0.473       1.026       0.962       3.799       0.600
RESID 213 (T):      -9.900       0.182       0.953      -1.759      -0.149       0.034
RESID 214 (C):       0.668      -0.166       -----       1.970       -----      -0.324
RESID 215 (L):      -0.752      -0.530      -2.311       0.201      -0.602       0.389
RESID 216 (G):      -2.938       -----      -0.882       0.360       -----      -0.631
RESID 217 (E):      -6.316      -0.141       1.210      -0.111      -0.412      -0.001
RESID 218 (M):       4.438      -0.370      -0.948       2.128       0.842      -0.113
RESID 219 (Y):      -6.385       0.190      -0.874      -4.071      -2.249      -0.062
RESID 220 (V):      -7.021       0.240      -1.337      -2.193       1.114      -1.058
RESID 221 (S):       1.740       0.115      -0.918      -0.687       0.092       0.498
RESID 222 (D):       1.121       0.140      -0.015      -2.009      -0.350       0.594
RESID 223 (E):      -0.735       0.194      -1.037      -0.971      -0.592      -0.134
RESID 224 (R):       0.041      -0.047       2.287      -0.495       1.145      -0.027
RESID 225 (F):      -1.953      -0.356       0.346      -0.873       0.765       0.192
RESID 226 (T):       0.456      -0.280      -0.203       0.080       0.566       0.000
RESID 227 (R):      -5.197      -0.542       0.404       0.251       0.356      -0.099
RESID 228 (N):      -0.806       0.012       0.684      -0.693      -0.476      -0.820
RESID 229 (I):       3.072      -0.038       1.198       0.547       1.103       0.577
RESID 230 (D):      -1.678       0.174      -0.641      -0.578      -0.867       0.141
RESID 231 (A):       0.927      -0.025       0.996       0.417       0.257      -0.694
RESID 232 (A):      -2.520      -0.068       0.988       1.062      -0.687      -0.167
RESID 233 (K):      -2.392      -0.151       -----       0.823      -0.245      -1.365
RESID 234 (P):       -----      -0.156       0.096       0.541       0.410       -----
RESID 235 (G):       0.516       -----       1.491      -0.071       -----       0.113
RESID 236 (L):       7.225      -0.389       0.730       0.927      -0.620       0.024
RESID 237 (A):       3.388      -0.095       0.155       1.387       0.312       2.335
RESID 238 (A):      -2.423      -0.344       0.186       0.080      -0.725      -0.403
RESID 239 (Y):       0.789      -0.554      -0.025       1.298       1.567      -0.387
RESID 240 (M):      -2.040      -0.782      -0.388       0.167       0.709       0.366
RESID 241 (R):      -2.605      -0.609       0.066       0.936      -1.769       0.639
RESID 242 (D):       0.678      -0.150       0.357       0.652       0.075      -0.323
RESID 243 (A):       4.523       0.293       0.252       0.636       0.680       0.650
RESID 244 (I):       0.621      -0.117       2.332       2.213      -0.516       0.513
RESID 245 (L):       1.211       0.040       0.303       0.916      -0.476       0.180
RESID 246 (A):       1.062       0.253       1.626       0.194      -0.959       0.165
RESID 247 (N):       0.208       0.358       0.326       0.649       2.026       1.138
RESID 248 (A):       4.958      -0.032       1.478       1.241      -0.457       0.976
RESID 249 (V):       0.753      -0.095       1.818       0.622      -0.077       0.702
RESID 250 (R):      -0.761       0.140      -1.380       0.150      -0.875       0.092
RESID 251 (H):      -2.478       0.137      -2.320      -0.456      -0.852      -0.555
RESID 252 (T):       1.633       0.363       -----      -1.242       0.207       0.023

DATA CS_STAT_INFO  N  RMS:   3.085 ppm Count: 137 Average Difference:  0.209 +/- 3.089 ppm
DATA CS_STAT_INFO  HA RMS:   0.325 ppm Count: 149 Average Difference:  0.051 +/- 0.322 ppm
DATA CS_STAT_INFO  C  RMS:   1.118 ppm Count: 132 Average Difference: -0.225 +/- 1.099 ppm
DATA CS_STAT_INFO  CA RMS:   1.159 ppm Count: 141 Average Difference: -0.228 +/- 1.140 ppm
DATA CS_STAT_INFO  CB RMS:   1.123 ppm Count: 131 Average Difference: -0.017 +/- 1.127 ppm
DATA CS_STAT_INFO  HN RMS:   0.553 ppm Count: 137 Average Difference: -0.116 +/- 0.543 ppm


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

                   Atom      Original     Corrected        SPARTA    Difference
RESID 112 (I):        N       120.180       120.180       123.251        -3.071
RESID 112 (I):       HA         4.320         4.320         4.271         0.049
RESID 112 (I):        C       176.436       176.436       175.486         0.950
RESID 112 (I):       CA        61.350        61.350        61.484        -0.134
RESID 112 (I):       CB        38.688        38.688        36.605         2.083
RESID 112 (I):        H         8.735         8.735         8.000         0.735
RESID 113 (N):        N       125.593       125.593       127.920        -2.327
RESID 113 (N):       HA         4.915         4.915         4.963        -0.048
RESID 113 (N):        C       174.326       174.326       174.158         0.168
RESID 113 (N):       CA        52.993        52.993        53.093        -0.100
RESID 113 (N):       CB        37.402        37.402        38.829        -1.427
RESID 113 (N):        H         8.939         8.939         8.891         0.048
RESID 114 (L):        N       120.224       120.224       124.649        -4.425
RESID 114 (L):       HA         4.943         4.943         4.734         0.209
RESID 114 (L):        C       176.954       176.954       176.266         0.688
RESID 114 (L):       CA        53.421        53.421        54.268        -0.847
RESID 114 (L):       CB        46.761        46.761        46.248         0.513
RESID 114 (L):        H         7.667         7.667         7.821        -0.154
RESID 115 (T):        N       114.226       114.226       116.714        -2.488
RESID 115 (T):       HA         4.661         4.661         4.728        -0.067
RESID 115 (T):       CA        60.696        60.696        59.498         1.198
RESID 115 (T):       CB        67.843        67.843        69.082        -1.239
RESID 115 (T):        H         9.357         9.357         8.482         0.875
RESID 116 (P):       HA         4.150         4.150         4.160        -0.010
RESID 116 (P):        C       179.425       179.425       178.971         0.454
RESID 116 (P):       CA        66.423        66.423        66.180         0.242
RESID 116 (P):       CB        31.661        31.661        31.969        -0.308
RESID 117 (E):        N       116.894       116.894       115.465         1.429
RESID 117 (E):       HA         4.117         4.117         4.128        -0.011
RESID 117 (E):        C       179.580       179.580       179.125         0.455
RESID 117 (E):       CA        60.388        60.388        59.073         1.315
RESID 117 (E):       CB        28.810        28.810        29.021        -0.211
RESID 117 (E):        H         8.731         8.731         8.823        -0.092
RESID 118 (E):        N       120.845       120.845       119.775         1.070
RESID 118 (E):       HA         4.011         4.011         4.477        -0.466
RESID 118 (E):        C       178.520       178.520       178.865        -0.345
RESID 118 (E):       CA        58.955        58.955        58.432         0.523
RESID 118 (E):       CB        31.576        31.576        29.407         2.169
RESID 118 (E):        H         7.779         7.779         8.161        -0.382
RESID 119 (K):        N       117.419       117.419       120.593        -3.174
RESID 119 (K):       HA         3.741         3.741         4.193        -0.452
RESID 119 (K):        C       178.034       178.034       178.960        -0.926
RESID 119 (K):       CA        60.446        60.446        59.741         0.705
RESID 119 (K):       CB        32.524        32.524        32.350         0.174
RESID 119 (K):        H         8.723         8.723         8.664         0.059
RESID 120 (F):        N       117.618       117.618       118.247        -0.629
RESID 120 (F):       HA         4.662         4.662         4.319         0.343
RESID 120 (F):       CA        60.444        60.444        60.912        -0.468
RESID 120 (F):       CB        38.788        38.788        38.967        -0.179
RESID 120 (F):        H         7.819         7.819         7.988        -0.169
RESID 121 (E):        N       119.300       119.300       117.192         2.108
RESID 121 (E):       HA         3.793         3.793         4.098        -0.305
RESID 121 (E):        C       177.602       177.602       177.491         0.111
RESID 121 (E):       CA        59.453        59.453        58.357         1.096
RESID 121 (E):       CB        29.815        29.815        29.881        -0.066
RESID 121 (E):        H         7.898         7.898         7.866         0.032
RESID 122 (V):        N       112.645       112.645       117.402        -4.757
RESID 122 (V):       HA         3.939         3.939         3.793         0.146
RESID 122 (V):        C       177.072       177.072       176.302         0.770
RESID 122 (V):       CA        64.288        64.288        64.183         0.105
RESID 122 (V):       CB        33.050        33.050        32.621         0.429
RESID 122 (V):        H         7.668         7.668         7.483         0.185
RESID 123 (F):        N       116.335       116.335       117.411        -1.076
RESID 123 (F):       HA         5.020         5.020         4.659         0.361
RESID 123 (F):        C       177.796       177.796       176.321         1.475
RESID 123 (F):       CA        56.368        56.368        58.131        -1.763
RESID 123 (F):       CB        40.644        40.644        40.928        -0.284
RESID 123 (F):        H         8.632         8.632         8.171         0.461
RESID 124 (G):        N       112.227       112.227       108.940         3.287
RESID 124 (G):        C       174.159       174.159       173.477         0.682
RESID 124 (G):       CA        46.478        46.478        45.121         1.357
RESID 124 (G):        H         7.974         7.974         7.837         0.137
RESID 125 (D):        N       124.513       124.513       116.890         7.623
RESID 125 (D):       HA         4.613         4.613         4.691        -0.078
RESID 125 (D):        C       175.890       175.890       174.718         1.172
RESID 125 (D):       CA        54.541        54.541        55.074        -0.533
RESID 125 (D):       CB        40.610        40.610        40.377         0.234
RESID 125 (D):        H         8.650         8.650         8.600         0.050
RESID 126 (F):        N       121.949       121.949       119.858         2.091
RESID 126 (F):       HA         4.152         4.152         4.784        -0.632
RESID 126 (F):        C       173.533       173.533       173.480         0.053
RESID 126 (F):       CA        58.831        58.831        56.928         1.903
RESID 126 (F):       CB        39.973        39.973        40.622        -0.649
RESID 126 (F):        H         7.640         7.640         7.956        -0.316
RESID 127 (D):        N       125.341       125.341       127.129        -1.788
RESID 127 (D):       HA         4.908         4.908         4.631         0.277
RESID 127 (D):       CA        48.718        48.718        50.610        -1.892
RESID 127 (D):       CB        41.151        41.151        42.777        -1.626
RESID 127 (D):        H         7.764         7.764         8.198        -0.434
RESID 128 (P):       HA         3.722         3.722         4.106        -0.384
RESID 128 (P):        C       179.160       179.160       177.668         1.492
RESID 128 (P):       CA        63.531        63.531        64.940        -1.409
RESID 128 (P):       CB        32.580        32.580        31.751         0.829
RESID 129 (D):        N       117.916       117.916       118.324        -0.408
RESID 129 (D):       HA         4.352         4.352         4.280         0.072
RESID 129 (D):        C       178.271       178.271       178.104         0.167
RESID 129 (D):       CA        56.905        56.905        57.656        -0.751
RESID 129 (D):       CB        39.712        39.712        39.242         0.470
RESID 129 (D):        H         7.758         7.758         8.610        -0.852
RESID 130 (Q):        N       116.475       116.475       118.500        -2.025
RESID 130 (Q):       HA         3.827         3.827         3.880        -0.053
RESID 130 (Q):        C       176.033       176.033       178.320        -2.287
RESID 130 (Q):       CA        57.050        57.050        58.172        -1.122
RESID 130 (Q):       CB        27.825        27.825        27.706         0.119
RESID 130 (Q):        H         7.015         7.015         8.255        -1.240
RESID 131 (Y):        N       114.293       114.293       118.219        -3.926
RESID 131 (Y):       HA         4.716         4.716         4.531         0.185
RESID 131 (Y):        C       174.868       174.868       178.120        -3.252
RESID 131 (Y):       CA        57.346        57.346        58.436        -1.090
RESID 131 (Y):       CB        39.648        39.648        37.496         2.152
RESID 131 (Y):        H         6.769         6.769         7.084        -0.315
RESID 132 (E):        N       119.006       119.006       121.152        -2.146
RESID 132 (E):       HA         3.928         3.928         4.048        -0.120
RESID 132 (E):        C       178.378       178.378       178.815        -0.437
RESID 132 (E):       CA        60.171        60.171        59.951         0.220
RESID 132 (E):       CB        30.065        30.065        29.193         0.872
RESID 132 (E):        H         6.833         6.833         8.537        -1.704
RESID 133 (E):        N       119.319       119.319       117.936         1.383
RESID 133 (E):       HA         4.022         4.022         4.151        -0.129
RESID 133 (E):        C       177.728       177.728       178.473        -0.745
RESID 133 (E):       CA        59.325        59.325        58.886         0.439
RESID 133 (E):       CB        28.294        28.294        28.381        -0.087
RESID 133 (E):        H         8.611         8.611         7.776         0.835
RESID 134 (E):        N       122.908       122.908       120.601         2.307
RESID 134 (E):       HA         3.826         3.826         4.043        -0.217
RESID 134 (E):        C       177.780       177.780       178.948        -1.168
RESID 134 (E):       CA        59.062        59.062        59.189        -0.127
RESID 134 (E):       CB        28.532        28.532        29.791        -1.258
RESID 134 (E):        H         8.094         8.094         7.607         0.487
RESID 135 (V):        N       118.079       118.079       116.697         1.382
RESID 135 (V):       HA         3.342         3.342         3.557        -0.215
RESID 135 (V):        C       177.633       177.633       177.375         0.258
RESID 135 (V):       CA        65.657        65.657        66.074        -0.417
RESID 135 (V):       CB        31.449        31.449        31.680        -0.231
RESID 135 (V):        H         8.085         8.085         8.552        -0.467
RESID 136 (R):        N       117.865       117.865       121.094        -3.229
RESID 136 (R):       HA         3.125         3.125         3.805        -0.680
RESID 136 (R):        C       179.034       179.034       178.021         1.013
RESID 136 (R):       CA        59.253        59.253        59.950        -0.697
RESID 136 (R):       CB        29.856        29.856        30.062        -0.206
RESID 136 (R):        H         7.456         7.456         7.829        -0.373
RESID 137 (E):        N       120.727       120.727       117.787         2.940
RESID 137 (E):       HA         3.714         3.714         4.061        -0.347
RESID 137 (E):        C       178.690       178.690       178.619         0.071
RESID 137 (E):       CA        59.274        59.274        58.598         0.676
RESID 137 (E):       CB        29.360        29.360        29.444        -0.084
RESID 137 (E):        H         8.517         8.517         7.784         0.733
RESID 138 (R):        N       115.311       115.311       117.952        -2.641
RESID 138 (R):       HA         3.567         3.567         3.867        -0.300
RESID 138 (R):        C       178.897       178.897       177.680         1.217
RESID 138 (R):       CA        58.754        58.754        58.485         0.269
RESID 138 (R):       CB        29.960        29.960        30.340        -0.381
RESID 138 (R):        H         8.090         8.090         7.362         0.728
RESID 139 (W):        N       114.241       114.241       115.676        -1.435
RESID 139 (W):       HA         5.078         5.078         4.915         0.163
RESID 139 (W):        C       177.169       177.169       177.394        -0.225
RESID 139 (W):       CA        56.174        56.174        57.713        -1.539
RESID 139 (W):       CB        28.194        28.194        30.071        -1.877
RESID 139 (W):        H         7.805         7.805         7.942        -0.137
RESID 140 (G):        N       110.185       110.185       108.172         2.013
RESID 140 (G):        C       173.518       173.518       173.777        -0.259
RESID 140 (G):       CA        46.717        46.717        46.542         0.174
RESID 140 (G):        H         7.639         7.639         7.899        -0.260
RESID 141 (N):        N       116.211       116.211       114.128         2.083
RESID 141 (N):       HA         5.069         5.069         4.630         0.439
RESID 141 (N):        C       175.838       175.838       173.927         1.911
RESID 141 (N):       CA        52.249        52.249        53.020        -0.771
RESID 141 (N):       CB        38.104        38.104        38.835        -0.731
RESID 141 (N):        H         8.387         8.387         8.003         0.384
RESID 142 (T):        N       110.347       110.347       114.852        -4.505
RESID 142 (T):       HA         4.704         4.704         4.402         0.302
RESID 142 (T):        C       175.832       175.832       175.055         0.777
RESID 142 (T):       CA        61.180        61.180        61.458        -0.278
RESID 142 (T):       CB        72.857        72.857        70.004         2.853
RESID 142 (T):        H         7.907         7.907         7.710         0.197
RESID 143 (D):        N       123.392       123.392       127.335        -3.943
RESID 143 (D):       HA         4.565         4.565         4.313         0.252
RESID 143 (D):        C       178.225       178.225       177.322         0.903
RESID 143 (D):       CA        57.387        57.387        57.127         0.260
RESID 143 (D):       CB        40.346        40.346        40.591        -0.245
RESID 143 (D):        H         8.985         8.985         8.801         0.184
RESID 144 (A):        N       122.309       122.309       120.910         1.399
RESID 144 (A):       HA         3.963         3.963         3.379         0.584
RESID 144 (A):        C       179.688       179.688       178.878         0.810
RESID 144 (A):       CA        55.136        55.136        54.586         0.550
RESID 144 (A):       CB        17.566        17.566        17.255         0.312
RESID 144 (A):        H         8.476         8.476         7.990         0.486
RESID 145 (Y):        N       117.438       117.438       118.736        -1.298
RESID 145 (Y):       HA         4.283         4.283         4.237         0.046
RESID 145 (Y):        C       177.433       177.433       177.083         0.350
RESID 145 (Y):       CA        62.243        62.243        61.207         1.036
RESID 145 (Y):       CB        40.171        40.171        38.321         1.850
RESID 145 (Y):        H         8.432         8.432         7.279         1.153
RESID 146 (R):        N       119.518       119.518       118.489         1.029
RESID 146 (R):       HA         3.847         3.847         4.054        -0.207
RESID 146 (R):        C       179.450       179.450       179.022         0.428
RESID 146 (R):       CA        60.242        60.242        60.007         0.235
RESID 146 (R):       CB        30.115        30.115        29.711         0.404
RESID 146 (R):        H         7.787         7.787         7.657         0.130
RESID 147 (Q):        N       118.457       118.457       117.488         0.969
RESID 147 (Q):       HA         4.101         4.101         4.189        -0.088
RESID 147 (Q):        C       178.807       178.807       178.286         0.521
RESID 147 (Q):       CA        59.183        59.183        58.165         1.018
RESID 147 (Q):       CB        28.878        28.878        27.904         0.974
RESID 147 (Q):        H         8.960         8.960         7.902         1.058
RESID 148 (S):        N       115.758       115.758       116.833        -1.075
RESID 148 (S):       HA         4.979         4.979         4.144         0.835
RESID 148 (S):        C       178.074       178.074       176.515         1.559
RESID 148 (S):       CA        61.511        61.511        62.142        -0.630
RESID 148 (S):       CB        63.392        63.392        62.679         0.712
RESID 148 (S):        H         8.604         8.604         7.552         1.052
RESID 149 (K):        N       125.190       125.190       121.370         3.820
RESID 149 (K):       HA         4.022         4.022         3.936         0.086
RESID 149 (K):        C       178.788       178.788       178.816        -0.028
RESID 149 (K):       CA        58.707        58.707        59.515        -0.808
RESID 149 (K):       CB        31.465        31.465        32.376        -0.911
RESID 149 (K):        H         8.405         8.405         7.775         0.630
RESID 150 (E):        N       118.050       118.050       119.027        -0.977
RESID 150 (E):       HA         4.023         4.023         4.014         0.009
RESID 150 (E):        C       179.065       179.065       178.554         0.511
RESID 150 (E):       CA        58.880        58.880        59.378        -0.498
RESID 150 (E):       CB        29.660        29.660        29.733        -0.073
RESID 150 (E):        H         7.509         7.509         7.931        -0.422
RESID 151 (K):        N       118.439       118.439       114.911         3.528
RESID 151 (K):       HA         3.782         3.782         4.172        -0.390
RESID 151 (K):        C       178.865       178.865       178.865         0.000
RESID 151 (K):       CA        59.365        59.365        58.067         1.298
RESID 151 (K):       CB        32.923        32.923        32.489         0.434
RESID 151 (K):        H         8.296         8.296         8.007         0.289
RESID 152 (T):        N       106.470       106.470       116.370        -9.900
RESID 152 (T):       HA         4.407         4.407         3.482         0.925
RESID 152 (T):       CA        63.772        63.772        65.185        -1.413
RESID 152 (T):       CB        70.040        70.040        68.523         1.517
RESID 152 (T):        H         8.304         8.304         7.915         0.389
RESID 153 (A):        N       123.491       123.491       123.045         0.446
RESID 153 (A):       HA         4.252         4.252         4.108         0.144
RESID 153 (A):        C       178.775       178.775       178.744         0.031
RESID 153 (A):       CA        54.906        54.906        54.618         0.288
RESID 153 (A):       CB        18.604        18.604        18.407         0.197
RESID 153 (A):        H         7.318         7.318         7.565        -0.247
RESID 154 (S):        N       108.783       108.783       111.648        -2.865
RESID 154 (S):       HA         4.569         4.569         4.387         0.182
RESID 154 (S):        C       174.926       174.926       174.951        -0.025
RESID 154 (S):       CA        57.983        57.983        58.464        -0.480
RESID 154 (S):        H         7.295         7.295         7.577        -0.282
RESID 155 (Y):        N       121.552       121.552       123.500        -1.948
RESID 155 (Y):       HA         5.148         5.148         4.425         0.723
RESID 155 (Y):        C       177.850       177.850       175.687         2.163
RESID 155 (Y):       CA        54.351        54.351        57.927        -3.576
RESID 155 (Y):       CB        36.657        36.657        38.241        -1.584
RESID 155 (Y):        H         7.129         7.129         7.799        -0.670
RESID 156 (T):        N       116.123       116.123       116.790        -0.667
RESID 156 (T):       HA         4.817         4.817         4.519         0.298
RESID 156 (T):        C       175.913       175.913       175.574         0.339
RESID 156 (T):       CA        60.021        60.021        59.416         0.605
RESID 156 (T):       CB        72.051        72.051        71.497         0.554
RESID 156 (T):        H         9.749         9.749         8.176         1.573
RESID 157 (K):        N       121.193       121.193       122.220        -1.027
RESID 157 (K):       HA         3.874         3.874         4.238        -0.364
RESID 157 (K):        C       177.224       177.224       178.302        -1.078
RESID 157 (K):       CA        61.575        61.575        59.509         2.066
RESID 157 (K):       CB        31.986        31.986        32.487        -0.501
RESID 157 (K):        H         9.322         9.322         8.843         0.479
RESID 158 (E):        N       115.842       115.842       117.920        -2.078
RESID 158 (E):       HA         4.015         4.015         4.019        -0.004
RESID 158 (E):        C       179.589       179.589       178.479         1.110
RESID 158 (E):       CA        59.880        59.880        58.786         1.094
RESID 158 (E):       CB        28.939        28.939        29.382        -0.443
RESID 158 (E):        H         8.414         8.414         7.947         0.467
RESID 159 (D):        N       119.833       119.833       121.080        -1.247
RESID 159 (D):       HA         4.145         4.145         4.208        -0.063
RESID 159 (D):        C       177.210       177.210       177.680        -0.470
RESID 159 (D):       CA        57.273        57.273        56.628         0.645
RESID 159 (D):       CB        40.562        40.562        40.282         0.280
RESID 159 (D):        H         7.341         7.341         7.446        -0.105
RESID 160 (W):        N       117.696       117.696       120.335        -2.639
RESID 160 (W):       HA         4.227         4.227         4.252        -0.025
RESID 160 (W):        C       178.283       178.283       178.590        -0.307
RESID 160 (W):       CA        60.400        60.400        59.803         0.597
RESID 160 (W):       CB        29.643        29.643        29.482         0.161
RESID 160 (W):        H         7.892         7.892         7.351         0.541
RESID 161 (Q):        N       118.386       118.386       118.432        -0.046
RESID 161 (Q):       HA         3.841         3.841         3.849        -0.008
RESID 161 (Q):        C       177.368       177.368       178.190        -0.822
RESID 161 (Q):       CA        58.701        58.701        58.659         0.042
RESID 161 (Q):       CB        28.879        28.879        28.051         0.828
RESID 161 (Q):        H         8.665         8.665         7.775         0.890
RESID 162 (R):        N       120.270       120.270       119.489         0.781
RESID 162 (R):       HA         4.039         4.039         4.101        -0.062
RESID 162 (R):        C       178.441       178.441       178.898        -0.457
RESID 162 (R):       CA        59.688        59.688        58.669         1.020
RESID 162 (R):       CB        28.707        28.707        29.629        -0.922
RESID 162 (R):        H         7.530         7.530         7.374         0.156
RESID 163 (I):        N       119.856       119.856       120.951        -1.095
RESID 163 (I):       HA         3.272         3.272         3.636        -0.364
RESID 163 (I):        C       179.233       179.233       177.683         1.550
RESID 163 (I):       CA        65.686        65.686        65.328         0.358
RESID 163 (I):       CB        38.278        38.278        37.753         0.525
RESID 163 (I):        H         7.971         7.971         7.967         0.004
RESID 164 (Q):        N       121.268       121.268       118.692         2.576
RESID 164 (Q):       HA         4.266         4.266         3.950         0.316
RESID 164 (Q):        C       178.794       178.794       178.338         0.456
RESID 164 (Q):       CA        58.115        58.115        58.736        -0.621
RESID 164 (Q):       CB        29.475        29.475        27.748         1.727
RESID 164 (Q):        H         8.601         8.601         8.563         0.038
RESID 165 (D):        N       122.162       122.162       119.416         2.746
RESID 165 (D):       HA         4.428         4.428         4.297         0.131
RESID 165 (D):        C       179.896       179.896       178.384         1.512
RESID 165 (D):       CA        57.546        57.546        57.474         0.072
RESID 165 (D):       CB        39.524        39.524        40.673        -1.149
RESID 165 (D):        H         8.711         8.711         8.419         0.292
RESID 166 (E):        N       121.227       121.227       120.095         1.132
RESID 166 (E):       HA         3.956         3.956         4.035        -0.079
RESID 166 (E):        C       180.125       180.125       178.528         1.597
RESID 166 (E):       CA        59.288        59.288        59.221         0.067
RESID 166 (E):       CB        29.458        29.458        29.464        -0.006
RESID 166 (E):        H         8.566         8.566         7.683         0.883
RESID 167 (A):        N       123.246       123.246       122.049         1.197
RESID 167 (A):       HA         4.255         4.255         3.893         0.362
RESID 167 (A):        C       180.675       180.675       179.563         1.112
RESID 167 (A):       CA        55.207        55.207        55.258        -0.050
RESID 167 (A):       CB        18.141        18.141        17.971         0.170
RESID 167 (A):        H         7.929         7.929         8.213        -0.284
RESID 168 (D):        N       120.476       120.476       119.053         1.423
RESID 168 (D):       HA         4.441         4.441         4.218         0.223
RESID 168 (D):        C       178.499       178.499       178.141         0.358
RESID 168 (D):       CA        57.433        57.433        57.605        -0.172
RESID 168 (D):       CB        40.758        40.758        40.733         0.025
RESID 168 (D):        H         8.670         8.670         8.292         0.378
RESID 169 (E):        N       120.325       120.325       120.561        -0.236
RESID 169 (E):       HA         4.041         4.041         3.978         0.063
RESID 169 (E):        C       178.994       178.994       178.734         0.260
RESID 169 (E):       CA        59.375        59.375        58.966         0.409
RESID 169 (E):       CB        28.864        28.864        29.298        -0.434
RESID 169 (E):        H         8.079         8.079         7.926         0.153
RESID 170 (L):        N       120.582       120.582       119.141         1.441
RESID 170 (L):       HA         4.131         4.131         3.901         0.230
RESID 170 (L):        C       179.013       179.013       178.423         0.590
RESID 170 (L):       CA        58.045        58.045        57.685         0.360
RESID 170 (L):       CB        41.675        41.675        41.617         0.058
RESID 170 (L):        H         7.615         7.615         8.057        -0.442
RESID 171 (T):        N       118.834       118.834       116.279         2.555
RESID 171 (T):       HA         4.036         4.036         3.696         0.340
RESID 171 (T):        C       175.899       175.899       176.536        -0.637
RESID 171 (T):       CA        68.163        68.163        67.154         1.009
RESID 171 (T):       CB        68.338        68.338        68.495        -0.157
RESID 171 (T):        H         8.815         8.815         8.015         0.800
RESID 172 (R):        N       118.894       118.894       121.574        -2.680
RESID 172 (R):       HA         3.885         3.885         3.902        -0.017
RESID 172 (R):        C       179.660       179.660       178.872         0.788
RESID 172 (R):       CA        60.269        60.269        60.194         0.075
RESID 172 (R):       CB        29.990        29.990        30.061        -0.071
RESID 172 (R):        H         8.249         8.249         8.539        -0.290
RESID 173 (R):        N       120.681       120.681       118.838         1.843
RESID 173 (R):       HA         4.030         4.030         4.183        -0.153
RESID 173 (R):        C       179.645       179.645       178.912         0.733
RESID 173 (R):       CA        59.615        59.615        59.154         0.461
RESID 173 (R):       CB        30.566        30.566        29.711         0.855
RESID 173 (R):        H         7.961         7.961         8.014        -0.053
RESID 174 (F):        N       118.546       118.546       120.328        -1.782
RESID 174 (F):       HA         4.292         4.292         4.348        -0.056
RESID 174 (F):        C       178.154       178.154       178.279        -0.125
RESID 174 (F):       CA        63.590        63.590        59.758         3.832
RESID 174 (F):       CB        40.383        40.383        38.058         2.325
RESID 174 (F):        H         8.548         8.548         8.129         0.419
RESID 175 (V):        N       118.935       118.935       120.115        -1.180
RESID 175 (V):       HA         3.373         3.373         3.463        -0.090
RESID 175 (V):        C       177.099       177.099       177.996        -0.897
RESID 175 (V):       CA        67.334        67.334        67.469        -0.135
RESID 175 (V):       CB        31.745        31.745        31.465         0.280
RESID 175 (V):        H         8.770         8.770         8.811        -0.041
RESID 176 (A):        N       120.243       120.243       121.817        -1.574
RESID 176 (A):       HA         4.162         4.162         4.066         0.096
RESID 176 (A):        C       181.643       181.643       179.285         2.358
RESID 176 (A):       CA        55.105        55.105        55.143        -0.038
RESID 176 (A):       CB        17.765        17.765        18.791        -1.026
RESID 176 (A):        H         7.967         7.967         8.015        -0.048
RESID 177 (L):        N       121.411       121.411       116.039         5.372
RESID 177 (L):       HA         3.938         3.938         4.443        -0.505
RESID 177 (L):        C       178.694       178.694       178.547         0.147
RESID 177 (L):       CA        58.611        58.611        57.608         1.003
RESID 177 (L):       CB        41.513        41.513        42.092        -0.579
RESID 177 (L):        H         7.634         7.634         8.105        -0.471
RESID 178 (M):        N       118.652       118.652       120.880        -2.228
RESID 178 (M):       HA         3.564         3.564         3.731        -0.167
RESID 178 (M):        C       181.569       181.569       178.324         3.245
RESID 178 (M):       CA        59.718        59.718        57.429         2.289
RESID 178 (M):       CB        33.450        33.450        31.127         2.323
RESID 178 (M):        H         7.940         7.940         8.853        -0.913
RESID 179 (D):        N       121.310       121.310       121.393        -0.083
RESID 179 (D):       HA         4.371         4.371         4.359         0.012
RESID 179 (D):        C       177.730       177.730       177.251         0.479
RESID 179 (D):       CA        56.932        56.932        56.691         0.241
RESID 179 (D):       CB        39.826        39.826        40.553        -0.728
RESID 179 (D):        H         9.022         9.022         8.394         0.628
RESID 180 (A):        N       120.199       120.199       120.256        -0.057
RESID 180 (A):       HA         4.357         4.357         4.217         0.140
RESID 180 (A):        C       177.935       177.935       178.007        -0.072
RESID 180 (A):       CA        52.276        52.276        52.270         0.006
RESID 180 (A):       CB        19.028        19.028        18.548         0.480
RESID 180 (A):        H         7.667         7.667         7.667         0.000
RESID 181 (G):        N       107.115       107.115       106.396         0.719
RESID 181 (G):        C       175.650       175.650       174.334         1.316
RESID 181 (G):       CA        45.480        45.480        44.930         0.550
RESID 181 (G):        H         7.916         7.916         7.922        -0.006
RESID 182 (E):        N       120.055       120.055       121.911        -1.856
RESID 182 (E):       HA         4.701         4.701         4.708        -0.007
RESID 182 (E):       CA        54.158        54.158        53.112         1.046
RESID 182 (E):       CB        28.461        28.461        30.736        -2.275
RESID 182 (E):        H         7.887         7.887         7.613         0.274
RESID 183 (P):       HA         4.729         4.729         4.452         0.277
RESID 183 (P):        C       177.156       177.156       176.641         0.515
RESID 183 (P):       CA        62.595        62.595        63.038        -0.443
RESID 183 (P):       CB        33.002        33.002        32.519         0.483
RESID 184 (A):        N       124.966       124.966       122.649         2.317
RESID 184 (A):       HA         3.372         3.372         3.597        -0.225
RESID 184 (A):        C       173.383       173.383       178.037        -4.654
RESID 184 (A):       CA        54.234        54.234        54.184         0.050
RESID 184 (A):       CB        19.100        19.100        17.972         1.128
RESID 184 (A):        H         9.082         9.082         8.470         0.612
RESID 185 (D):        N       107.028       107.028       112.337        -5.309
RESID 185 (D):       HA         4.474         4.474         4.514        -0.040
RESID 185 (D):        C       176.790       176.790       175.957         0.833
RESID 185 (D):       CA        50.914        50.914        52.727        -1.813
RESID 185 (D):       CB        39.354        39.354        39.682        -0.328
RESID 185 (D):        H         7.364         7.364         8.351        -0.987
RESID 186 (S):        N       113.421       113.421       116.895        -3.474
RESID 186 (S):       HA         4.328         4.328         4.308         0.020
RESID 186 (S):        C       174.699       174.699       175.894        -1.195
RESID 186 (S):       CA        57.769        57.769        59.167        -1.398
RESID 186 (S):       CB        65.781        65.781        64.105         1.677
RESID 186 (S):        H         7.676         7.676         7.430         0.246
RESID 187 (E):        N       121.832       121.832       126.882        -5.050
RESID 187 (E):       HA         3.698         3.698         3.923        -0.225
RESID 187 (E):        C       178.242       178.242       178.683        -0.441
RESID 187 (E):       CA        60.525        60.525        59.864         0.661
RESID 187 (E):       CB        29.271        29.271        29.240         0.031
RESID 187 (E):        H         9.064         9.064         8.961         0.103
RESID 188 (G):        N       103.385       103.385       107.691        -4.306
RESID 188 (G):        C       176.865       176.865       175.732         1.133
RESID 188 (G):       CA        47.142        47.142        46.716         0.426
RESID 188 (G):        H         8.688         8.688         8.787        -0.099
RESID 189 (A):        N       125.710       125.710       124.381         1.329
RESID 189 (A):       HA         4.040         4.040         4.006         0.034
RESID 189 (A):        C       179.646       179.646       179.109         0.537
RESID 189 (A):       CA        55.511        55.511        54.608         0.903
RESID 189 (A):       CB        18.211        18.211        18.654        -0.443
RESID 189 (A):        H         7.716         7.716         7.259         0.457
RESID 190 (M):        N       117.503       117.503       119.131        -1.628
RESID 190 (M):       HA         4.060         4.060         4.143        -0.083
RESID 190 (M):        C       178.705       178.705       178.003         0.702
RESID 190 (M):       CA        60.473        60.473        57.731         2.742
RESID 190 (M):       CB        33.599        33.599        32.054         1.545
RESID 190 (M):        H         8.569         8.569         8.603        -0.034
RESID 191 (D):        N       119.826       119.826       121.051        -1.225
RESID 191 (D):       HA         4.276         4.276         4.658        -0.382
RESID 191 (D):        C       178.528       178.528       178.435         0.093
RESID 191 (D):       CA        57.152        57.152        58.164        -1.012
RESID 191 (D):       CB        39.009        39.009        40.303        -1.294
RESID 191 (D):        H         8.820         8.820         8.244         0.576
RESID 192 (A):        N       123.880       123.880       122.769         1.111
RESID 192 (A):       HA         3.905         3.905         4.117        -0.212
RESID 192 (A):        C       179.032       179.032       179.341        -0.309
RESID 192 (A):       CA        55.448        55.448        55.230         0.218
RESID 192 (A):       CB        15.703        15.703        18.136        -2.433
RESID 192 (A):        H         7.544         7.544         7.348         0.196
RESID 193 (A):        N       120.855       120.855       120.930        -0.075
RESID 193 (A):       HA         4.358         4.358         4.033         0.325
RESID 193 (A):        C       179.427       179.427       179.625        -0.198
RESID 193 (A):       CA        55.521        55.521        55.091         0.430
RESID 193 (A):       CB        18.361        18.361        18.096         0.265
RESID 193 (A):        H         8.435         8.435         7.929         0.506
RESID 194 (E):        N       122.123       122.123       118.863         3.260
RESID 194 (E):       HA         4.375         4.375         3.977         0.398
RESID 194 (E):        C       178.565       178.565       178.717        -0.152
RESID 194 (E):       CA        58.780        58.780        59.759        -0.979
RESID 194 (E):       CB        27.301        27.301        29.448        -2.147
RESID 194 (E):        H         8.778         8.778         7.824         0.954
RESID 195 (D):        N       121.253       121.253       119.150         2.103
RESID 195 (D):       HA         4.408         4.408         4.400         0.008
RESID 195 (D):        C       179.882       179.882       178.381         1.501
RESID 195 (D):       CA        57.421        57.421        56.997         0.424
RESID 195 (D):       CB        39.518        39.518        40.864        -1.347
RESID 195 (D):        H         8.213         8.213         7.967         0.246
RESID 196 (H):        N       124.862       124.862       119.487         5.375
RESID 196 (H):       HA         4.172         4.172         4.291        -0.119
RESID 196 (H):        C       177.779       177.779       177.978        -0.199
RESID 196 (H):       CA        61.442        61.442        60.035         1.407
RESID 196 (H):       CB        31.474        31.474        30.085         1.389
RESID 196 (H):        H         8.857         8.857         8.316         0.541
RESID 197 (R):        N       123.019       123.019       118.484         4.535
RESID 197 (R):       HA         3.001         3.001         4.122        -1.121
RESID 197 (R):        C       178.632       178.632       179.050        -0.418
RESID 197 (R):       CA        60.121        60.121        59.910         0.211
RESID 197 (R):       CB        30.529        30.529        30.006         0.523
RESID 197 (R):        H         8.371         8.371         8.356         0.015
RESID 198 (Q):        N       114.857       114.857       117.063        -2.206
RESID 198 (Q):       HA         3.780         3.780         4.307        -0.527
RESID 198 (Q):        C       179.002       179.002       178.011         0.991
RESID 198 (Q):       CA        58.513        58.513        57.144         1.369
RESID 198 (Q):       CB        27.753        27.753        27.947        -0.194
RESID 198 (Q):        H         8.283         8.283         7.955         0.328
RESID 199 (G):        N       109.227       109.227       108.608         0.619
RESID 199 (G):        C       175.335       175.335       175.639        -0.304
RESID 199 (G):       CA        46.966        46.966        46.459         0.507
RESID 199 (G):        H         8.177         8.177         8.483        -0.306
RESID 200 (I):        N       123.036       123.036       122.463         0.573
RESID 200 (I):       HA         3.493         3.493         4.461        -0.968
RESID 200 (I):        C       178.329       178.329       177.662         0.667
RESID 200 (I):       CA        64.940        64.940        62.995         1.945
RESID 200 (I):       CB        36.330        36.330        38.107        -1.777
RESID 200 (I):        H         7.474         7.474         8.037        -0.563
RESID 201 (A):        N       121.122       121.122       121.551        -0.429
RESID 201 (A):       HA         4.501         4.501         4.206         0.295
RESID 201 (A):        C       179.480       179.480       177.941         1.539
RESID 201 (A):       CA        53.082        53.082        54.450        -1.368
RESID 201 (A):       CB        18.054        18.054        18.522        -0.468
RESID 201 (A):        H         7.739         7.739         7.821        -0.082
RESID 202 (R):        N       115.981       115.981       116.805        -0.824
RESID 202 (R):       HA         3.853         3.853         4.041        -0.188
RESID 202 (R):        C       177.874       177.874       178.535        -0.661
RESID 202 (R):       CA        58.391        58.391        58.922        -0.531
RESID 202 (R):       CB        31.163        31.163        30.446         0.717
RESID 202 (R):        H         7.968         7.968         7.840         0.128
RESID 203 (N):        N       111.860       111.860       114.025        -2.165
RESID 203 (N):       HA         4.362         4.362         4.484        -0.122
RESID 203 (N):        C       175.317       175.317       175.775        -0.458
RESID 203 (N):       CA        53.644        53.644        54.423        -0.779
RESID 203 (N):       CB        40.307        40.307        37.997         2.310
RESID 203 (N):        H         7.591         7.591         7.669        -0.078
RESID 204 (H):        N       118.469       118.469       117.344         1.125
RESID 204 (H):       HA         4.670         4.670         4.803        -0.133
RESID 204 (H):        C       172.483       172.483       174.175        -1.692
RESID 204 (H):       CA        59.079        59.079        58.298         0.781
RESID 204 (H):       CB        33.877        33.877        33.411         0.466
RESID 204 (H):        H         8.389         8.389         7.672         0.717
RESID 205 (Y):        N       111.831       111.831       115.066        -3.235
RESID 205 (Y):       HA         4.363         4.363         4.802        -0.439
RESID 205 (Y):        C       173.387       173.387       173.627        -0.240
RESID 205 (Y):       CA        56.400        56.400        55.798         0.602
RESID 205 (Y):       CB        39.523        39.523        39.515         0.008
RESID 205 (Y):        H         7.240         7.240         7.225         0.015
RESID 206 (D):        N       117.047       117.047       120.985        -3.938
RESID 206 (D):       HA         4.033         4.033         4.520        -0.487
RESID 206 (D):        C       175.864       175.864       175.380         0.484
RESID 206 (D):       CA        56.391        56.391        54.972         1.419
RESID 206 (D):       CB        40.166        40.166        39.955         0.211
RESID 206 (D):        H         8.304         8.304         8.590        -0.286
RESID 207 (C):        N       125.983       125.983       124.376         1.607
RESID 207 (C):       HA         4.694         4.694         4.778        -0.084
RESID 207 (C):        C       172.708       172.708       174.690        -1.982
RESID 207 (C):       CA        57.910        57.910        57.623         0.287
RESID 207 (C):       CB        26.861        26.861        29.705        -2.844
RESID 207 (C):        H         7.581         7.581         8.491        -0.910
RESID 208 (G):        N       113.288       113.288       113.233         0.055
RESID 208 (G):        C       173.509       173.509       173.451         0.058
RESID 208 (G):       CA        44.579        44.579        43.870         0.709
RESID 208 (G):        H         8.359         8.359         8.368        -0.009
RESID 209 (Y):        N       116.731       116.731       116.947        -0.216
RESID 209 (Y):       HA         3.965         3.965         4.769        -0.804
RESID 209 (Y):        C       177.981       177.981       176.649         1.332
RESID 209 (Y):       CA        64.964        64.964        56.771         8.193
RESID 209 (Y):       CB        38.046        38.046        37.635         0.411
RESID 209 (Y):        H         8.283         8.283         8.111         0.172
RESID 210 (E):        N       119.927       119.927       120.260        -0.333
RESID 210 (E):       HA         4.089         4.089         3.997         0.092
RESID 210 (E):        C       178.511       178.511       178.746        -0.235
RESID 210 (E):       CA        60.166        60.166        59.492         0.674
RESID 210 (E):       CB        28.747        28.747        29.360        -0.613
RESID 210 (E):        H         8.870         8.870         7.933         0.937
RESID 211 (M):        N       120.242       120.242       117.295         2.947
RESID 211 (M):       HA         3.914         3.914         4.256        -0.342
RESID 211 (M):       CA        57.257        57.257        58.252        -0.995
RESID 211 (M):       CB        31.938        31.938        31.789         0.149
RESID 211 (M):        H         8.047         8.047         8.147        -0.100
RESID 212 (H):        N       120.018       120.018       119.571         0.447
RESID 212 (H):       HA         3.977         3.977         4.008        -0.031
RESID 212 (H):        C       178.034       178.034       177.568         0.466
RESID 212 (H):       CA        59.099        59.099        59.147        -0.048
RESID 212 (H):       CB        33.381        33.381        29.769         3.612
RESID 212 (H):        H         8.647         8.647         8.466         0.181
RESID 213 (T):        N       107.780       107.780       112.849        -5.069
RESID 213 (T):       HA         3.775         3.775         3.959        -0.184
RESID 213 (T):        C       176.569       176.569       176.572        -0.003
RESID 213 (T):       CA        65.841        65.841        66.409        -0.568
RESID 213 (T):       CB        68.584        68.584        68.837        -0.253
RESID 213 (T):        H         8.140         8.140         7.841         0.299
RESID 214 (C):        N       120.727       120.727       120.184         0.543
RESID 214 (C):       HA         4.039         4.039         4.809        -0.770
RESID 214 (C):       CA        63.078        63.078        60.654         2.425
RESID 214 (C):        H         7.337         7.337         7.876        -0.539
RESID 215 (L):        N       121.760       121.760       123.625        -1.865
RESID 215 (L):       HA         3.406         3.406         4.017        -0.611
RESID 215 (L):        C       176.549       176.549       178.592        -2.043
RESID 215 (L):       CA        57.581        57.581        57.640        -0.059
RESID 215 (L):       CB        40.459        40.459        40.903        -0.444
RESID 215 (L):        H         7.696         7.696         8.580        -0.884
RESID 216 (G):        N       101.717       101.717       106.215        -4.498
RESID 216 (G):        C       174.717       174.717       175.645        -0.928
RESID 216 (G):       CA        47.445        47.445        47.249         0.196
RESID 216 (G):        H         7.849         7.849         8.343        -0.494
RESID 217 (E):        N       115.126       115.126       120.334        -5.208
RESID 217 (E):       HA         4.021         4.021         3.852         0.169
RESID 217 (E):        C       179.892       179.892       178.726         1.166
RESID 217 (E):       CA        58.378        58.378        58.634        -0.256
RESID 217 (E):       CB        28.933        28.933        29.166        -0.233
RESID 217 (E):        H         7.572         7.572         7.911        -0.339
RESID 218 (M):        N       123.032       123.032       118.632         4.400
RESID 218 (M):       HA         3.993         3.993         4.279        -0.286
RESID 218 (M):        C       177.036       177.036       178.619        -1.583
RESID 218 (M):       CA        58.596        58.596        58.395         0.201
RESID 218 (M):       CB        32.582        32.582        33.480        -0.898
RESID 218 (M):        H         7.495         7.495         7.326         0.169
RESID 219 (Y):        N       115.483       115.483       118.541        -3.058
RESID 219 (Y):       HA         4.174         4.174         4.261        -0.087
RESID 219 (Y):        C       176.350       176.350       176.708        -0.358
RESID 219 (Y):       CA        56.530        56.530        59.293        -2.763
RESID 219 (Y):       CB        35.854        35.854        37.102        -1.248
RESID 219 (Y):        H         7.521         7.521         8.469        -0.948
RESID 220 (V):        N       109.054       109.054       118.450        -9.396
RESID 220 (V):       HA         4.022         4.022         3.835         0.187
RESID 220 (V):        C       176.266       176.266       177.183        -0.917
RESID 220 (V):       CA        62.095        62.095        63.628        -1.533
RESID 220 (V):       CB        32.980        32.980        31.552         1.428
RESID 220 (V):        H         6.817         6.817         7.098        -0.281
RESID 221 (S):        N       115.276       115.276       113.485         1.791
RESID 221 (S):       HA         4.368         4.368         4.352         0.016
RESID 221 (S):        C       174.071       174.071       174.527        -0.456
RESID 221 (S):       CA        59.950        59.950        59.598         0.352
RESID 221 (S):       CB        63.608        63.608        63.673        -0.065
RESID 221 (S):        H         8.278         8.278         7.584         0.694
RESID 222 (D):        N       122.686       122.686       120.637         2.049
RESID 222 (D):       HA         4.962         4.962         4.863         0.099
RESID 222 (D):        C       176.246       176.246       176.255        -0.009
RESID 222 (D):       CA        52.489        52.489        53.149        -0.660
RESID 222 (D):       CB        41.604        41.604        43.166        -1.562
RESID 222 (D):        H         8.238         8.238         7.492         0.746
RESID 223 (E):        N       124.836       124.836       128.621        -3.785
RESID 223 (E):       HA         4.306         4.306         4.128         0.178
RESID 223 (E):        C       177.201       177.201       178.416        -1.215
RESID 223 (E):       CA        58.566        58.566        59.364        -0.798
RESID 223 (E):       CB        29.326        29.326        29.712        -0.386
RESID 223 (E):        H         8.932         8.932         9.090        -0.158
RESID 224 (R):        N       117.537       117.537       119.787        -2.250
RESID 224 (R):       HA         4.102         4.102         4.034         0.068
RESID 224 (R):        C       181.161       181.161       178.289         2.872
RESID 224 (R):       CA        58.642        58.642        58.600         0.042
RESID 224 (R):       CB        30.996        30.996        29.294         1.702
RESID 224 (R):        H         8.429         8.429         8.900        -0.471
RESID 225 (F):        N       116.733       116.733       116.945        -0.212
RESID 225 (F):       HA         4.149         4.149         4.769        -0.620
RESID 225 (F):        C       177.880       177.880       178.231        -0.351
RESID 225 (F):       CA        60.916        60.916        60.906         0.010
RESID 225 (F):       CB        39.728        39.728        39.020         0.708
RESID 225 (F):        H         7.830         7.830         8.370        -0.540
RESID 226 (T):        N       116.162       116.162       117.586        -1.424
RESID 226 (T):       HA         3.637         3.637         4.264        -0.627
RESID 226 (T):        C       176.142       176.142       176.686        -0.544
RESID 226 (T):       CA        67.025        67.025        67.424        -0.399
RESID 226 (T):       CB        68.865        68.865        68.983        -0.118
RESID 226 (T):        H         8.182         8.182         8.460        -0.278
RESID 227 (R):        N       115.469       115.469       120.684        -5.215
RESID 227 (R):       HA         3.984         3.984         4.094        -0.110
RESID 227 (R):        C       178.758       178.758       177.864         0.894
RESID 227 (R):       CA        59.109        59.109        59.018         0.091
RESID 227 (R):       CB        30.331        30.331        30.036         0.295
RESID 227 (R):        H         8.388         8.388         8.732        -0.344
RESID 228 (N):        N       116.518       116.518       117.051        -0.533
RESID 228 (N):       HA         4.637         4.637         4.607         0.030
RESID 228 (N):        C       177.791       177.791       176.881         0.910
RESID 228 (N):       CA        55.214        55.214        55.624        -0.410
RESID 228 (N):       CB        38.118        38.118        38.243        -0.125
RESID 228 (N):        H         6.883         6.883         7.697        -0.814
RESID 229 (I):        N       122.529       122.529       120.490         2.039
RESID 229 (I):       HA         3.824         3.824         3.880        -0.056
RESID 229 (I):        C       178.564       178.564       177.797         0.767
RESID 229 (I):       CA        65.206        65.206        64.621         0.585
RESID 229 (I):       CB        39.514        39.514        38.303         1.211
RESID 229 (I):        H         8.636         8.636         7.851         0.785
RESID 230 (D):        N       118.458       118.458       120.104        -1.646
RESID 230 (D):       HA         4.686         4.686         4.575         0.111
RESID 230 (D):        C       177.491       177.491       177.996        -0.505
RESID 230 (D):       CA        55.594        55.594        56.581        -0.987
RESID 230 (D):       CB        38.864        38.864        40.047        -1.183
RESID 230 (D):        H         8.866         8.866         8.737         0.129
RESID 231 (A):        N       123.132       123.132       122.431         0.701
RESID 231 (A):       HA         4.053         4.053         4.109        -0.056
RESID 231 (A):        C       179.554       179.554       178.155         1.399
RESID 231 (A):       CA        54.925        54.925        54.565         0.360
RESID 231 (A):       CB        18.199        18.199        17.954         0.245
RESID 231 (A):        H         7.074         7.074         7.635        -0.561
RESID 232 (A):        N       116.232       116.232       119.078        -2.846
RESID 232 (A):       HA         4.203         4.203         4.279        -0.076
RESID 232 (A):        C       178.208       178.208       177.184         1.024
RESID 232 (A):       CA        53.686        53.686        52.699         0.987
RESID 232 (A):       CB        19.446        19.446        20.064        -0.618
RESID 232 (A):        H         7.505         7.505         7.665        -0.160
RESID 233 (K):        N       116.503       116.503       118.346        -1.843
RESID 233 (K):       HA         4.464         4.464         4.696        -0.232
RESID 233 (K):       CA        54.363        54.363        53.262         1.101
RESID 233 (K):       CB        34.836        34.836        33.251         1.585
RESID 233 (K):        H         6.678         6.678         7.836        -1.158
RESID 234 (P):       HA         4.277         4.277         4.208         0.069
RESID 234 (P):        C       177.398       177.398       177.465        -0.067
RESID 234 (P):       CA        64.067        64.067        64.569        -0.502
RESID 234 (P):       CB        31.749        31.749        31.312         0.437
RESID 235 (G):        N       112.543       112.543       112.294         0.249
RESID 235 (G):        C       174.848       174.848       175.841        -0.993
RESID 235 (G):       CA        45.098        45.098        45.127        -0.029
RESID 235 (G):        H         8.705         8.705         8.802        -0.097
RESID 236 (L):        N       126.659       126.659       123.583         3.076
RESID 236 (L):       HA         4.270         4.270         4.166         0.104
RESID 236 (L):        C       177.242       177.242       178.043        -0.801
RESID 236 (L):       CA        57.890        57.890        57.492         0.398
RESID 236 (L):       CB        41.658        41.658        41.568         0.090
RESID 236 (L):        H         7.919         7.919         8.360        -0.441
RESID 237 (A):        N       126.005       126.005       121.105         4.900
RESID 237 (A):       HA         3.745         3.745         4.259        -0.514
RESID 237 (A):        C       179.077       179.077       179.279        -0.202
RESID 237 (A):       CA        56.464        56.464        55.211         1.253
RESID 237 (A):       CB        17.932        17.932        18.140        -0.208
RESID 237 (A):        H        10.901        10.901         9.208         1.693
RESID 238 (A):        N       118.189       118.189       120.946        -2.757
RESID 238 (A):       HA         3.764         3.764         3.959        -0.195
RESID 238 (A):        C       178.967       178.967       178.669         0.298
RESID 238 (A):       CA        54.549        54.549        54.546         0.003
RESID 238 (A):       CB        17.675        17.675        18.562        -0.887
RESID 238 (A):        H         8.168         8.168         7.744         0.424
RESID 239 (Y):        N       121.259       121.259       120.254         1.005
RESID 239 (Y):       HA         4.073         4.073         4.120        -0.047
RESID 239 (Y):        C       177.802       177.802       177.759         0.043
RESID 239 (Y):       CA        62.144        62.144        61.979         0.165
RESID 239 (Y):       CB        39.874        39.874        38.564         1.310
RESID 239 (Y):        H         7.940         7.940         7.580         0.360
RESID 240 (M):        N       116.383       116.383       118.668        -2.285
RESID 240 (M):       HA         3.300         3.300         4.009        -0.709
RESID 240 (M):        C       177.926       177.926       178.230        -0.304
RESID 240 (M):       CA        60.325        60.325        59.692         0.633
RESID 240 (M):       CB        33.236        33.236        32.666         0.570
RESID 240 (M):        H         9.169         9.169         8.673         0.496
RESID 241 (R):        N       118.201       118.201       120.366        -2.165
RESID 241 (R):       HA         3.397         3.397         3.742        -0.345
RESID 241 (R):        C       178.188       178.188       178.163         0.025
RESID 241 (R):       CA        60.728        60.728        59.258         1.470
RESID 241 (R):       CB        28.104        28.104        29.302        -1.198
RESID 241 (R):        H         8.479         8.479         7.685         0.794
RESID 242 (D):        N       119.314       119.314       118.642         0.672
RESID 242 (D):       HA         4.165         4.165         4.337        -0.172
RESID 242 (D):        C       178.707       178.707       177.930         0.777
RESID 242 (D):       CA        57.489        57.489        57.117         0.372
RESID 242 (D):       CB        39.827        39.827        40.781        -0.954
RESID 242 (D):        H         8.016         8.016         8.145        -0.129
RESID 243 (A):        N       127.195       127.195       122.910         4.285
RESID 243 (A):       HA         4.399         4.399         4.074         0.325
RESID 243 (A):        C       179.891       179.891       179.888         0.003
RESID 243 (A):       CA        54.946        54.946        54.535         0.411
RESID 243 (A):       CB        19.100        19.100        18.179         0.921
RESID 243 (A):        H         8.620         8.620         7.788         0.832
RESID 244 (I):        N       120.697       120.697       119.679         1.018
RESID 244 (I):       HA         3.540         3.540         3.391         0.149
RESID 244 (I):        C       179.591       179.591       177.338         2.253
RESID 244 (I):       CA        65.737        65.737        63.560         2.177
RESID 244 (I):       CB        37.579        37.579        37.761        -0.182
RESID 244 (I):        H         8.871         8.871         7.967         0.904
RESID 245 (L):        N       121.753       121.753       120.522         1.231
RESID 245 (L):       HA         3.987         3.987         3.716         0.271
RESID 245 (L):        C       179.065       179.065       178.935         0.130
RESID 245 (L):       CA        58.462        58.462        58.328         0.134
RESID 245 (L):       CB        41.173        41.173        41.472        -0.299
RESID 245 (L):        H         8.311         8.311         8.122         0.189
RESID 246 (A):        N       121.174       121.174       120.144         1.030
RESID 246 (A):       HA         4.081         4.081         3.866         0.215
RESID 246 (A):        C       180.864       180.864       179.248         1.616
RESID 246 (A):       CA        55.306        55.306        55.229         0.077
RESID 246 (A):       CB        16.939        16.939        17.991        -1.052
RESID 246 (A):        H         8.100         8.100         8.125        -0.025
RESID 247 (N):        N       117.391       117.391       117.846        -0.455
RESID 247 (N):       HA         4.582         4.582         4.446         0.136
RESID 247 (N):        C       177.205       177.205       177.135         0.070
RESID 247 (N):       CA        56.362        56.362        56.074         0.288
RESID 247 (N):       CB        40.264        40.264        38.533         1.731
RESID 247 (N):        H         8.948         8.948         7.728         1.220
RESID 248 (A):        N       124.544       124.544       121.117         3.427
RESID 248 (A):       HA         3.917         3.917         4.202        -0.285
RESID 248 (A):        C       180.931       180.931       179.671         1.260
RESID 248 (A):       CA        55.851        55.851        54.436         1.415
RESID 248 (A):       CB        17.991        17.991        18.719        -0.728
RESID 248 (A):        H         8.432         8.432         7.959         0.473
RESID 249 (V):        N       120.469       120.469       118.290         2.179
RESID 249 (V):       HA         3.575         3.575         3.826        -0.251
RESID 249 (V):        C       179.608       179.608       178.287         1.321
RESID 249 (V):       CA        66.636        66.636        65.705         0.931
RESID 249 (V):       CB        31.449        31.449        31.674        -0.225
RESID 249 (V):        H         8.214         8.214         7.475         0.739
RESID 250 (R):        N       116.667       116.667       117.038        -0.371
RESID 250 (R):       HA         4.269         4.269         4.231         0.038
RESID 250 (R):        C       176.251       176.251       177.226        -0.975
RESID 250 (R):       CA        57.938        57.938        56.691         1.248
RESID 250 (R):       CB        28.897        28.897        29.790        -0.893
RESID 250 (R):        H         7.583         7.583         7.539         0.044
RESID 251 (H):        N       115.928       115.928       114.923         1.005
RESID 251 (H):       HA         4.472         4.472         4.645        -0.173
RESID 251 (H):        C       173.245       173.245       174.186        -0.941
RESID 251 (H):       CA        56.667        56.667        55.457         1.210
RESID 251 (H):       CB        28.543        28.543        29.504        -0.961
RESID 251 (H):        H         7.163         7.163         7.748        -0.585
RESID 252 (T):        N       118.280       118.280       115.307         2.973
RESID 252 (T):       HA         4.517         4.517         4.352         0.165
RESID 252 (T):       CA        60.673        60.673        58.634         2.039
RESID 252 (T):       CB        70.034        70.034        70.013         0.021
RESID 252 (T):        H         7.449         7.449         7.132         0.317

                         N          HA           C          CA          CB           H
RESID 113 (N):      -2.327      -0.048       0.168      -0.100      -1.427       0.048
RESID 114 (L):      -4.425       0.209       0.688      -0.847       0.513      -0.154
RESID 115 (T):      -2.488      -0.067       -----       1.198      -1.239       0.875
RESID 116 (P):       -----      -0.010       0.454       0.242      -0.308       -----
RESID 117 (E):       1.429      -0.011       0.455       1.315      -0.211      -0.092
RESID 118 (E):       1.070      -0.466      -0.345       0.523       2.169      -0.382
RESID 119 (K):      -3.174      -0.452      -0.926       0.705       0.174       0.059
RESID 120 (F):      -0.629       0.343       -----      -0.468      -0.179      -0.169
RESID 121 (E):       2.108      -0.305       0.111       1.096      -0.066       0.032
RESID 122 (V):      -4.757       0.146       0.770       0.105       0.429       0.185
RESID 123 (F):      -1.076       0.361       1.475      -1.763      -0.284       0.461
RESID 124 (G):       3.287       -----       0.682       1.357       -----       0.137
RESID 125 (D):       7.623      -0.078       1.172      -0.533       0.234       0.050
RESID 126 (F):       2.091      -0.632       0.053       1.903      -0.649      -0.316
RESID 127 (D):      -1.788       0.277       -----      -1.892      -1.626      -0.434
RESID 128 (P):       -----      -0.384       1.492      -1.409       0.829       -----
RESID 129 (D):      -0.408       0.072       0.167      -0.751       0.470      -0.852
RESID 130 (Q):      -2.025      -0.053      -2.287      -1.122       0.119      -1.240
RESID 131 (Y):      -3.926       0.185      -3.252      -1.090       2.152      -0.315
RESID 132 (E):      -2.146      -0.120      -0.437       0.220       0.872      -1.704
RESID 133 (E):       1.383      -0.129      -0.745       0.439      -0.087       0.835
RESID 134 (E):       2.307      -0.217      -1.168      -0.127      -1.258       0.487
RESID 135 (V):       1.382      -0.215       0.258      -0.417      -0.231      -0.467
RESID 136 (R):      -3.229      -0.680       1.013      -0.697      -0.206      -0.373
RESID 137 (E):       2.940      -0.347       0.071       0.676      -0.084       0.733
RESID 138 (R):      -2.641      -0.300       1.217       0.269      -0.381       0.728
RESID 139 (W):      -1.435       0.163      -0.225      -1.539      -1.877      -0.137
RESID 140 (G):       2.013       -----      -0.259       0.174       -----      -0.260
RESID 141 (N):       2.083       0.439       1.911      -0.771      -0.731       0.384
RESID 142 (T):      -4.505       0.302       0.777      -0.278       2.853       0.197
RESID 143 (D):      -3.943       0.252       0.903       0.260      -0.245       0.184
RESID 144 (A):       1.399       0.584       0.810       0.550       0.312       0.486
RESID 145 (Y):      -1.298       0.046       0.350       1.036       1.850       1.153
RESID 146 (R):       1.029      -0.207       0.428       0.235       0.404       0.130
RESID 147 (Q):       0.969      -0.088       0.521       1.018       0.974       1.058
RESID 148 (S):      -1.075       0.835       1.559      -0.630       0.712       1.052
RESID 149 (K):       3.820       0.086      -0.028      -0.808      -0.911       0.630
RESID 150 (E):      -0.977       0.009       0.511      -0.498      -0.073      -0.422
RESID 151 (K):       3.528      -0.390       0.000       1.298       0.434       0.289
RESID 152 (T):      -9.900       0.925       -----      -1.413       1.517       0.389
RESID 153 (A):       0.446       0.144       0.031       0.288       0.197      -0.247
RESID 154 (S):      -2.865       0.182      -0.025      -0.480       -----      -0.282
RESID 155 (Y):      -1.948       0.723       2.163      -3.576      -1.584      -0.670
RESID 156 (T):      -0.667       0.298       0.339       0.605       0.554       1.573
RESID 157 (K):      -1.027      -0.364      -1.078       2.066      -0.501       0.479
RESID 158 (E):      -2.078      -0.004       1.110       1.094      -0.443       0.467
RESID 159 (D):      -1.247      -0.063      -0.470       0.645       0.280      -0.105
RESID 160 (W):      -2.639      -0.025      -0.307       0.597       0.161       0.541
RESID 161 (Q):      -0.046      -0.008      -0.822       0.042       0.828       0.890
RESID 162 (R):       0.781      -0.062      -0.457       1.020      -0.922       0.156
RESID 163 (I):      -1.095      -0.364       1.550       0.358       0.525       0.004
RESID 164 (Q):       2.576       0.316       0.456      -0.621       1.727       0.038
RESID 165 (D):       2.746       0.131       1.512       0.072      -1.149       0.292
RESID 166 (E):       1.132      -0.079       1.597       0.067      -0.006       0.883
RESID 167 (A):       1.197       0.362       1.112      -0.050       0.170      -0.284
RESID 168 (D):       1.423       0.223       0.358      -0.172       0.025       0.378
RESID 169 (E):      -0.236       0.063       0.260       0.409      -0.434       0.153
RESID 170 (L):       1.441       0.230       0.590       0.360       0.058      -0.442
RESID 171 (T):       2.555       0.340      -0.637       1.009      -0.157       0.800
RESID 172 (R):      -2.680      -0.017       0.788       0.075      -0.071      -0.290
RESID 173 (R):       1.843      -0.153       0.733       0.461       0.855      -0.053
RESID 174 (F):      -1.782      -0.056      -0.125       3.832       2.325       0.419
RESID 175 (V):      -1.180      -0.090      -0.897      -0.135       0.280      -0.041
RESID 176 (A):      -1.574       0.096       2.358      -0.038      -1.026      -0.048
RESID 177 (L):       5.372      -0.505       0.147       1.003      -0.579      -0.471
RESID 178 (M):      -2.228      -0.167       3.245       2.289       2.323      -0.913
RESID 179 (D):      -0.083       0.012       0.479       0.241      -0.728       0.628
RESID 180 (A):      -0.057       0.140      -0.072       0.006       0.480       0.000
RESID 181 (G):       0.719       -----       1.316       0.550       -----      -0.006
RESID 182 (E):      -1.856      -0.007       -----       1.046      -2.275       0.274
RESID 183 (P):       -----       0.277       0.515      -0.443       0.483       -----
RESID 184 (A):       2.317      -0.225      -4.654       0.050       1.128       0.612
RESID 185 (D):      -5.309      -0.040       0.833      -1.813      -0.328      -0.987
RESID 186 (S):      -3.474       0.020      -1.195      -1.398       1.677       0.246
RESID 187 (E):      -5.050      -0.225      -0.441       0.661       0.031       0.103
RESID 188 (G):      -4.306       -----       1.133       0.426       -----      -0.099
RESID 189 (A):       1.329       0.034       0.537       0.903      -0.443       0.457
RESID 190 (M):      -1.628      -0.083       0.702       2.742       1.545      -0.034
RESID 191 (D):      -1.225      -0.382       0.093      -1.012      -1.294       0.576
RESID 192 (A):       1.111      -0.212      -0.309       0.218      -2.433       0.196
RESID 193 (A):      -0.075       0.325      -0.198       0.430       0.265       0.506
RESID 194 (E):       3.260       0.398      -0.152      -0.979      -2.147       0.954
RESID 195 (D):       2.103       0.008       1.501       0.424      -1.347       0.246
RESID 196 (H):       5.375      -0.119      -0.199       1.407       1.389       0.541
RESID 197 (R):       4.535      -1.121      -0.418       0.211       0.523       0.015
RESID 198 (Q):      -2.206      -0.527       0.991       1.369      -0.194       0.328
RESID 199 (G):       0.619       -----      -0.304       0.507       -----      -0.306
RESID 200 (I):       0.573      -0.968       0.667       1.945      -1.777      -0.563
RESID 201 (A):      -0.429       0.295       1.539      -1.368      -0.468      -0.082
RESID 202 (R):      -0.824      -0.188      -0.661      -0.531       0.717       0.128
RESID 203 (N):      -2.165      -0.122      -0.458      -0.779       2.310      -0.078
RESID 204 (H):       1.125      -0.133      -1.692       0.781       0.466       0.717
RESID 205 (Y):      -3.235      -0.439      -0.240       0.602       0.008       0.015
RESID 206 (D):      -3.938      -0.487       0.484       1.419       0.211      -0.286
RESID 207 (C):       1.607      -0.084      -1.982       0.287      -2.844      -0.910
RESID 208 (G):       0.055       -----       0.058       0.709       -----      -0.009
RESID 209 (Y):      -0.216      -0.804       1.332       8.193       0.411       0.172
RESID 210 (E):      -0.333       0.092      -0.235       0.674      -0.613       0.937
RESID 211 (M):       2.947      -0.342       -----      -0.995       0.149      -0.100
RESID 212 (H):       0.447      -0.031       0.466      -0.048       3.612       0.181
RESID 213 (T):      -5.069      -0.184      -0.003      -0.568      -0.253       0.299
RESID 214 (C):       0.543      -0.770       -----       2.425       -----      -0.539
RESID 215 (L):      -1.865      -0.611      -2.043      -0.059      -0.444      -0.884
RESID 216 (G):      -4.498       -----      -0.928       0.196       -----      -0.494
RESID 217 (E):      -5.208       0.169       1.166      -0.256      -0.233      -0.339
RESID 218 (M):       4.400      -0.286      -1.583       0.201      -0.898       0.169
RESID 219 (Y):      -3.058      -0.087      -0.358      -2.763      -1.248      -0.948
RESID 220 (V):      -9.396       0.187      -0.917      -1.533       1.428      -0.281
RESID 221 (S):       1.791       0.016      -0.456       0.352      -0.065       0.694
RESID 222 (D):       2.049       0.099      -0.009      -0.660      -1.562       0.746
RESID 223 (E):      -3.785       0.178      -1.215      -0.798      -0.386      -0.158
RESID 224 (R):      -2.250       0.068       2.872       0.042       1.702      -0.471
RESID 225 (F):      -0.212      -0.620      -0.351       0.010       0.708      -0.540
RESID 226 (T):      -1.424      -0.627      -0.544      -0.399      -0.118      -0.278
RESID 227 (R):      -5.215      -0.110       0.894       0.091       0.295      -0.344
RESID 228 (N):      -0.533       0.030       0.910      -0.410      -0.125      -0.814
RESID 229 (I):       2.039      -0.056       0.767       0.585       1.211       0.785
RESID 230 (D):      -1.646       0.111      -0.505      -0.987      -1.183       0.129
RESID 231 (A):       0.701      -0.056       1.399       0.360       0.245      -0.561
RESID 232 (A):      -2.846      -0.076       1.024       0.987      -0.618      -0.160
RESID 233 (K):      -1.843      -0.232       -----       1.101       1.585      -1.158
RESID 234 (P):       -----       0.069      -0.067      -0.502       0.437       -----
RESID 235 (G):       0.249       -----      -0.993      -0.029       -----      -0.097
RESID 236 (L):       3.076       0.104      -0.801       0.398       0.090      -0.441
RESID 237 (A):       4.900      -0.514      -0.202       1.253      -0.208       1.693
RESID 238 (A):      -2.757      -0.195       0.298       0.003      -0.887       0.424
RESID 239 (Y):       1.005      -0.047       0.043       0.165       1.310       0.360
RESID 240 (M):      -2.285      -0.709      -0.304       0.633       0.570       0.496
RESID 241 (R):      -2.165      -0.345       0.025       1.470      -1.198       0.794
RESID 242 (D):       0.672      -0.172       0.777       0.372      -0.954      -0.129
RESID 243 (A):       4.285       0.325       0.003       0.411       0.921       0.832
RESID 244 (I):       1.018       0.149       2.253       2.177      -0.182       0.904
RESID 245 (L):       1.231       0.271       0.130       0.134      -0.299       0.189
RESID 246 (A):       1.030       0.215       1.616       0.077      -1.052      -0.025
RESID 247 (N):      -0.455       0.136       0.070       0.288       1.731       1.220
RESID 248 (A):       3.427      -0.285       1.260       1.415      -0.728       0.473
RESID 249 (V):       2.179      -0.251       1.321       0.931      -0.225       0.739
RESID 250 (R):      -0.371       0.038      -0.975       1.248      -0.893       0.044
RESID 251 (H):       1.005      -0.173      -0.941       1.210      -0.961      -0.585
RESID 252 (T):       2.973       0.165       -----       2.039       0.021       0.317

DATA CS_STAT_INFO  N  RMS:   2.821 ppm Count: 137 Average Difference:  0.359 +/- 2.809 ppm
DATA CS_STAT_INFO  HA RMS:   0.332 ppm Count: 149 Average Difference:  0.044 +/- 0.331 ppm
DATA CS_STAT_INFO  C  RMS:   1.104 ppm Count: 132 Average Difference: -0.196 +/- 1.091 ppm
DATA CS_STAT_INFO  CA RMS:   1.254 ppm Count: 141 Average Difference: -0.260 +/- 1.231 ppm
DATA CS_STAT_INFO  CB RMS:   1.098 ppm Count: 131 Average Difference: -0.050 +/- 1.101 ppm
DATA CS_STAT_INFO  HN RMS:   0.575 ppm Count: 137 Average Difference: -0.100 +/- 0.568 ppm


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

                   Atom      Original     Corrected        SPARTA    Difference
RESID 112 (I):        N       120.180       120.180       124.505        -4.325
RESID 112 (I):       HA         4.320         4.320         4.187         0.133
RESID 112 (I):        C       176.436       176.436       176.016         0.420
RESID 112 (I):       CA        61.350        61.350        60.811         0.539
RESID 112 (I):       CB        38.688        38.688        37.326         1.362
RESID 112 (I):        H         8.735         8.735         8.081         0.654
RESID 113 (N):        N       125.593       125.593       128.238        -2.645
RESID 113 (N):       HA         4.915         4.915         5.013        -0.098
RESID 113 (N):        C       174.326       174.326       173.926         0.400
RESID 113 (N):       CA        52.993        52.993        52.750         0.243
RESID 113 (N):       CB        37.402        37.402        38.116        -0.714
RESID 113 (N):        H         8.939         8.939         8.843         0.096
RESID 114 (L):        N       120.224       120.224       122.730        -2.506
RESID 114 (L):       HA         4.943         4.943         4.672         0.271
RESID 114 (L):        C       176.954       176.954       176.362         0.592
RESID 114 (L):       CA        53.421        53.421        54.232        -0.811
RESID 114 (L):       CB        46.761        46.761        45.711         1.050
RESID 114 (L):        H         7.667         7.667         7.885        -0.218
RESID 115 (T):        N       114.226       114.226       117.224        -2.998
RESID 115 (T):       HA         4.661         4.661         4.727        -0.066
RESID 115 (T):       CA        60.696        60.696        58.540         2.156
RESID 115 (T):       CB        67.843        67.843        70.262        -2.419
RESID 115 (T):        H         9.357         9.357         8.541         0.816
RESID 116 (P):       HA         4.150         4.150         4.338        -0.188
RESID 116 (P):        C       179.425       179.425       178.643         0.782
RESID 116 (P):       CA        66.423        66.423        65.867         0.556
RESID 116 (P):       CB        31.661        31.661        31.814        -0.153
RESID 117 (E):        N       116.894       116.894       117.559        -0.665
RESID 117 (E):       HA         4.117         4.117         4.028         0.089
RESID 117 (E):        C       179.580       179.580       178.914         0.666
RESID 117 (E):       CA        60.388        60.388        59.036         1.352
RESID 117 (E):       CB        28.810        28.810        29.359        -0.549
RESID 117 (E):        H         8.731         8.731         7.838         0.893
RESID 118 (E):        N       120.845       120.845       120.005         0.840
RESID 118 (E):       HA         4.011         4.011         4.217        -0.206
RESID 118 (E):        C       178.520       178.520       178.829        -0.309
RESID 118 (E):       CA        58.955        58.955        58.140         0.815
RESID 118 (E):       CB        31.576        31.576        29.258         2.318
RESID 118 (E):        H         7.779         7.779         7.747         0.032
RESID 119 (K):        N       117.419       117.419       120.604        -3.185
RESID 119 (K):       HA         3.741         3.741         4.070        -0.329
RESID 119 (K):        C       178.034       178.034       179.069        -1.035
RESID 119 (K):       CA        60.446        60.446        59.869         0.577
RESID 119 (K):       CB        32.524        32.524        32.404         0.120
RESID 119 (K):        H         8.723         8.723         8.325         0.398
RESID 120 (F):        N       117.618       117.618       116.715         0.903
RESID 120 (F):       HA         4.662         4.662         4.304         0.358
RESID 120 (F):       CA        60.444        60.444        60.935        -0.491
RESID 120 (F):       CB        38.788        38.788        38.359         0.429
RESID 120 (F):        H         7.819         7.819         8.361        -0.542
RESID 121 (E):        N       119.300       119.300       117.718         1.582
RESID 121 (E):       HA         3.793         3.793         4.170        -0.377
RESID 121 (E):        C       177.602       177.602       178.064        -0.462
RESID 121 (E):       CA        59.453        59.453        58.959         0.494
RESID 121 (E):       CB        29.815        29.815        29.384         0.431
RESID 121 (E):        H         7.898         7.898         8.161        -0.263
RESID 122 (V):        N       112.645       112.645       114.998        -2.353
RESID 122 (V):       HA         3.939         3.939         3.942        -0.003
RESID 122 (V):        C       177.072       177.072       176.333         0.739
RESID 122 (V):       CA        64.288        64.288        63.726         0.562
RESID 122 (V):       CB        33.050        33.050        31.853         1.197
RESID 122 (V):        H         7.668         7.668         7.565         0.103
RESID 123 (F):        N       116.335       116.335       117.276        -0.941
RESID 123 (F):       HA         5.020         5.020         4.518         0.502
RESID 123 (F):        C       177.796       177.796       176.288         1.508
RESID 123 (F):       CA        56.368        56.368        58.223        -1.855
RESID 123 (F):       CB        40.644        40.644        40.897        -0.253
RESID 123 (F):        H         8.632         8.632         8.214         0.418
RESID 124 (G):        N       112.227       112.227       106.946         5.281
RESID 124 (G):        C       174.159       174.159       173.527         0.632
RESID 124 (G):       CA        46.478        46.478        45.747         0.731
RESID 124 (G):        H         7.974         7.974         7.691         0.283
RESID 125 (D):        N       124.513       124.513       118.384         6.129
RESID 125 (D):       HA         4.613         4.613         4.255         0.358
RESID 125 (D):        C       175.890       175.890       174.206         1.684
RESID 125 (D):       CA        54.541        54.541        52.967         1.574
RESID 125 (D):       CB        40.610        40.610        41.328        -0.718
RESID 125 (D):        H         8.650         8.650         8.065         0.585
RESID 126 (F):        N       121.949       121.949       120.274         1.675
RESID 126 (F):       HA         4.152         4.152         4.499        -0.347
RESID 126 (F):        C       173.533       173.533       172.988         0.545
RESID 126 (F):       CA        58.831        58.831        56.400         2.431
RESID 126 (F):       CB        39.973        39.973        40.631        -0.658
RESID 126 (F):        H         7.640         7.640         7.618         0.022
RESID 127 (D):        N       125.341       125.341       127.149        -1.808
RESID 127 (D):       HA         4.908         4.908         4.804         0.104
RESID 127 (D):       CA        48.718        48.718        49.598        -0.880
RESID 127 (D):       CB        41.151        41.151        43.373        -2.222
RESID 127 (D):        H         7.764         7.764         8.088        -0.324
RESID 128 (P):       HA         3.722         3.722         3.792        -0.070
RESID 128 (P):        C       179.160       179.160       178.089         1.071
RESID 128 (P):       CA        63.531        63.531        64.424        -0.893
RESID 128 (P):       CB        32.580        32.580        32.340         0.240
RESID 129 (D):        N       117.916       117.916       120.437        -2.521
RESID 129 (D):       HA         4.352         4.352         4.414        -0.062
RESID 129 (D):        C       178.271       178.271       178.942        -0.671
RESID 129 (D):       CA        56.905        56.905        57.507        -0.602
RESID 129 (D):       CB        39.712        39.712        39.956        -0.244
RESID 129 (D):        H         7.758         7.758         8.088        -0.330
RESID 130 (Q):        N       116.475       116.475       118.241        -1.766
RESID 130 (Q):       HA         3.827         3.827         4.034        -0.207
RESID 130 (Q):        C       176.033       176.033       178.687        -2.654
RESID 130 (Q):       CA        57.050        57.050        58.487        -1.437
RESID 130 (Q):       CB        27.825        27.825        28.770        -0.945
RESID 130 (Q):        H         7.015         7.015         8.895        -1.880
RESID 131 (Y):        N       114.293       114.293       117.487        -3.194
RESID 131 (Y):       HA         4.716         4.716         4.403         0.313
RESID 131 (Y):        C       174.868       174.868       177.506        -2.638
RESID 131 (Y):       CA        57.346        57.346        58.008        -0.662
RESID 131 (Y):       CB        39.648        39.648        37.326         2.322
RESID 131 (Y):        H         6.769         6.769         7.683        -0.914
RESID 132 (E):        N       119.006       119.006       121.377        -2.371
RESID 132 (E):       HA         3.928         3.928         3.898         0.030
RESID 132 (E):        C       178.378       178.378       178.676        -0.298
RESID 132 (E):       CA        60.171        60.171        60.308        -0.137
RESID 132 (E):       CB        30.065        30.065        29.474         0.591
RESID 132 (E):        H         6.833         6.833         8.468        -1.635
RESID 133 (E):        N       119.319       119.319       117.673         1.646
RESID 133 (E):       HA         4.022         4.022         4.029        -0.007
RESID 133 (E):        C       177.728       177.728       178.540        -0.812
RESID 133 (E):       CA        59.325        59.325        59.062         0.263
RESID 133 (E):       CB        28.294        28.294        29.018        -0.724
RESID 133 (E):        H         8.611         8.611         7.703         0.908
RESID 134 (E):        N       122.908       122.908       120.885         2.023
RESID 134 (E):       HA         3.826         3.826         3.978        -0.152
RESID 134 (E):        C       177.780       177.780       178.712        -0.932
RESID 134 (E):       CA        59.062        59.062        59.018         0.044
RESID 134 (E):       CB        28.532        28.532        29.803        -1.271
RESID 134 (E):        H         8.094         8.094         7.591         0.503
RESID 135 (V):        N       118.079       118.079       117.446         0.633
RESID 135 (V):       HA         3.342         3.342         3.963        -0.621
RESID 135 (V):        C       177.633       177.633       177.645        -0.012
RESID 135 (V):       CA        65.657        65.657        65.526         0.131
RESID 135 (V):       CB        31.449        31.449        30.441         1.008
RESID 135 (V):        H         8.085         8.085         8.293        -0.208
RESID 136 (R):        N       117.865       117.865       121.412        -3.547
RESID 136 (R):       HA         3.125         3.125         4.137        -1.012
RESID 136 (R):        C       179.034       179.034       177.961         1.073
RESID 136 (R):       CA        59.253        59.253        59.647        -0.394
RESID 136 (R):       CB        29.856        29.856        29.951        -0.095
RESID 136 (R):        H         7.456         7.456         7.562        -0.106
RESID 137 (E):        N       120.727       120.727       117.892         2.835
RESID 137 (E):       HA         3.714         3.714         4.115        -0.401
RESID 137 (E):        C       178.690       178.690       178.820        -0.130
RESID 137 (E):       CA        59.274        59.274        58.411         0.863
RESID 137 (E):       CB        29.360        29.360        29.480        -0.120
RESID 137 (E):        H         8.517         8.517         7.684         0.833
RESID 138 (R):        N       115.311       115.311       118.329        -3.018
RESID 138 (R):       HA         3.567         3.567         3.750        -0.183
RESID 138 (R):        C       178.897       178.897       177.637         1.260
RESID 138 (R):       CA        58.754        58.754        58.637         0.117
RESID 138 (R):       CB        29.960        29.960        30.077        -0.117
RESID 138 (R):        H         8.090         8.090         7.639         0.451
RESID 139 (W):        N       114.241       114.241       115.604        -1.363
RESID 139 (W):       HA         5.078         5.078         4.912         0.166
RESID 139 (W):        C       177.169       177.169       177.588        -0.419
RESID 139 (W):       CA        56.174        56.174        58.045        -1.871
RESID 139 (W):       CB        28.194        28.194        30.367        -2.173
RESID 139 (W):        H         7.805         7.805         7.940        -0.135
RESID 140 (G):        N       110.185       110.185       107.671         2.514
RESID 140 (G):        C       173.518       173.518       174.214        -0.696
RESID 140 (G):       CA        46.717        46.717        46.845        -0.128
RESID 140 (G):        H         7.639         7.639         8.069        -0.430
RESID 141 (N):        N       116.211       116.211       113.239         2.972
RESID 141 (N):       HA         5.069         5.069         4.825         0.244
RESID 141 (N):        C       175.838       175.838       174.109         1.729
RESID 141 (N):       CA        52.249        52.249        53.082        -0.833
RESID 141 (N):       CB        38.104        38.104        40.007        -1.903
RESID 141 (N):        H         8.387         8.387         8.411        -0.024
RESID 142 (T):        N       110.347       110.347       115.003        -4.656
RESID 142 (T):       HA         4.704         4.704         4.524         0.180
RESID 142 (T):        C       175.832       175.832       175.030         0.802
RESID 142 (T):       CA        61.180        61.180        61.171         0.009
RESID 142 (T):       CB        72.857        72.857        70.368         2.489
RESID 142 (T):        H         7.907         7.907         7.806         0.101
RESID 143 (D):        N       123.392       123.392       128.571        -5.179
RESID 143 (D):       HA         4.565         4.565         4.274         0.291
RESID 143 (D):        C       178.225       178.225       177.417         0.808
RESID 143 (D):       CA        57.387        57.387        58.204        -0.817
RESID 143 (D):       CB        40.346        40.346        40.522        -0.176
RESID 143 (D):        H         8.985         8.985         8.852         0.133
RESID 144 (A):        N       122.309       122.309       121.306         1.003
RESID 144 (A):       HA         3.963         3.963         3.268         0.695
RESID 144 (A):        C       179.688       179.688       178.557         1.131
RESID 144 (A):       CA        55.136        55.136        55.128         0.008
RESID 144 (A):       CB        17.566        17.566        17.559         0.007
RESID 144 (A):        H         8.476         8.476         7.809         0.667
RESID 145 (Y):        N       117.438       117.438       119.313        -1.875
RESID 145 (Y):       HA         4.283         4.283         4.174         0.109
RESID 145 (Y):        C       177.433       177.433       177.547        -0.114
RESID 145 (Y):       CA        62.243        62.243        59.066         3.177
RESID 145 (Y):       CB        40.171        40.171        38.091         2.080
RESID 145 (Y):        H         8.432         8.432         7.654         0.778
RESID 146 (R):        N       119.518       119.518       118.246         1.272
RESID 146 (R):       HA         3.847         3.847         3.530         0.317
RESID 146 (R):        C       179.450       179.450       178.806         0.644
RESID 146 (R):       CA        60.242        60.242        59.674         0.568
RESID 146 (R):       CB        30.115        30.115        29.743         0.372
RESID 146 (R):        H         7.787         7.787         7.760         0.027
RESID 147 (Q):        N       118.457       118.457       117.442         1.015
RESID 147 (Q):       HA         4.101         4.101         4.314        -0.213
RESID 147 (Q):        C       178.807       178.807       178.472         0.335
RESID 147 (Q):       CA        59.183        59.183        58.462         0.721
RESID 147 (Q):       CB        28.878        28.878        27.980         0.898
RESID 147 (Q):        H         8.960         8.960         8.022         0.938
RESID 148 (S):        N       115.758       115.758       116.845        -1.087
RESID 148 (S):       HA         4.979         4.979         4.200         0.779
RESID 148 (S):        C       178.074       178.074       176.145         1.929
RESID 148 (S):       CA        61.511        61.511        61.807        -0.296
RESID 148 (S):       CB        63.392        63.392        62.837         0.555
RESID 148 (S):        H         8.604         8.604         7.984         0.620
RESID 149 (K):        N       125.190       125.190       120.223         4.967
RESID 149 (K):       HA         4.022         4.022         4.015         0.007
RESID 149 (K):        C       178.788       178.788       178.741         0.047
RESID 149 (K):       CA        58.707        58.707        59.032        -0.325
RESID 149 (K):       CB        31.465        31.465        31.886        -0.421
RESID 149 (K):        H         8.405         8.405         7.579         0.826
RESID 150 (E):        N       118.050       118.050       120.325        -2.275
RESID 150 (E):       HA         4.023         4.023         3.973         0.050
RESID 150 (E):        C       179.065       179.065       178.011         1.054
RESID 150 (E):       CA        58.880        58.880        59.149        -0.269
RESID 150 (E):       CB        29.660        29.660        29.518         0.142
RESID 150 (E):        H         7.509         7.509         8.085        -0.576
RESID 151 (K):        N       118.439       118.439       116.249         2.190
RESID 151 (K):       HA         3.782         3.782         4.206        -0.424
RESID 151 (K):        C       178.865       178.865       178.687         0.178
RESID 151 (K):       CA        59.365        59.365        58.139         1.226
RESID 151 (K):       CB        32.923        32.923        33.127        -0.204
RESID 151 (K):        H         8.296         8.296         8.081         0.215
RESID 152 (T):        N       106.470       106.470       115.330        -8.860
RESID 152 (T):       HA         4.407         4.407         3.259         1.148
RESID 152 (T):       CA        63.772        63.772        63.994        -0.222
RESID 152 (T):       CB        70.040        70.040        68.297         1.743
RESID 152 (T):        H         8.304         8.304         8.159         0.145
RESID 153 (A):        N       123.491       123.491       124.370        -0.879
RESID 153 (A):       HA         4.252         4.252         4.063         0.189
RESID 153 (A):        C       178.775       178.775       179.163        -0.388
RESID 153 (A):       CA        54.906        54.906        54.961        -0.055
RESID 153 (A):       CB        18.604        18.604        18.274         0.330
RESID 153 (A):        H         7.318         7.318         7.572        -0.254
RESID 154 (S):        N       108.783       108.783       110.506        -1.723
RESID 154 (S):       HA         4.569         4.569         4.618        -0.049
RESID 154 (S):        C       174.926       174.926       173.742         1.184
RESID 154 (S):       CA        57.983        57.983        57.453         0.531
RESID 154 (S):        H         7.295         7.295         7.579        -0.283
RESID 155 (Y):        N       121.552       121.552       121.841        -0.289
RESID 155 (Y):       HA         5.148         5.148         4.439         0.709
RESID 155 (Y):        C       177.850       177.850       175.852         1.998
RESID 155 (Y):       CA        54.351        54.351        58.400        -4.049
RESID 155 (Y):       CB        36.657        36.657        37.966        -1.309
RESID 155 (Y):        H         7.129         7.129         7.690        -0.561
RESID 156 (T):        N       116.123       116.123       116.693        -0.570
RESID 156 (T):       HA         4.817         4.817         4.755         0.062
RESID 156 (T):        C       175.913       175.913       175.628         0.285
RESID 156 (T):       CA        60.021        60.021        59.004         1.017
RESID 156 (T):       CB        72.051        72.051        70.609         1.442
RESID 156 (T):        H         9.749         9.749         8.714         1.035
RESID 157 (K):        N       121.193       121.193       120.776         0.417
RESID 157 (K):       HA         3.874         3.874         4.163        -0.289
RESID 157 (K):        C       177.224       177.224       178.563        -1.339
RESID 157 (K):       CA        61.575        61.575        59.563         2.012
RESID 157 (K):       CB        31.986        31.986        32.319        -0.333
RESID 157 (K):        H         9.322         9.322         8.904         0.418
RESID 158 (E):        N       115.842       115.842       118.226        -2.384
RESID 158 (E):       HA         4.015         4.015         4.028        -0.013
RESID 158 (E):        C       179.589       179.589       178.459         1.130
RESID 158 (E):       CA        59.880        59.880        59.443         0.437
RESID 158 (E):       CB        28.939        28.939        28.753         0.186
RESID 158 (E):        H         8.414         8.414         7.653         0.761
RESID 159 (D):        N       119.833       119.833       120.756        -0.923
RESID 159 (D):       HA         4.145         4.145         4.129         0.016
RESID 159 (D):        C       177.210       177.210       178.382        -1.172
RESID 159 (D):       CA        57.273        57.273        57.133         0.140
RESID 159 (D):       CB        40.562        40.562        39.656         0.906
RESID 159 (D):        H         7.341         7.341         8.219        -0.878
RESID 160 (W):        N       117.696       117.696       120.739        -3.043
RESID 160 (W):       HA         4.227         4.227         4.283        -0.056
RESID 160 (W):        C       178.283       178.283       178.764        -0.481
RESID 160 (W):       CA        60.400        60.400        59.597         0.803
RESID 160 (W):       CB        29.643        29.643        29.337         0.306
RESID 160 (W):        H         7.892         7.892         7.581         0.311
RESID 161 (Q):        N       118.386       118.386       118.975        -0.589
RESID 161 (Q):       HA         3.841         3.841         3.919        -0.078
RESID 161 (Q):        C       177.368       177.368       178.336        -0.968
RESID 161 (Q):       CA        58.701        58.701        58.930        -0.229
RESID 161 (Q):       CB        28.879        28.879        28.260         0.619
RESID 161 (Q):        H         8.665         8.665         8.119         0.546
RESID 162 (R):        N       120.270       120.270       120.397        -0.127
RESID 162 (R):       HA         4.039         4.039         4.101        -0.062
RESID 162 (R):        C       178.441       178.441       179.107        -0.666
RESID 162 (R):       CA        59.688        59.688        58.337         1.351
RESID 162 (R):       CB        28.707        28.707        29.534        -0.827
RESID 162 (R):        H         7.530         7.530         7.831        -0.301
RESID 163 (I):        N       119.856       119.856       120.470        -0.614
RESID 163 (I):       HA         3.272         3.272         3.640        -0.368
RESID 163 (I):        C       179.233       179.233       178.048         1.185
RESID 163 (I):       CA        65.686        65.686        65.207         0.479
RESID 163 (I):       CB        38.278        38.278        37.803         0.475
RESID 163 (I):        H         7.971         7.971         7.985        -0.014
RESID 164 (Q):        N       121.268       121.268       119.390         1.878
RESID 164 (Q):       HA         4.266         4.266         3.891         0.375
RESID 164 (Q):        C       178.794       178.794       178.158         0.636
RESID 164 (Q):       CA        58.115        58.115        59.727        -1.612
RESID 164 (Q):       CB        29.475        29.475        28.427         1.048
RESID 164 (Q):        H         8.601         8.601         8.800        -0.199
RESID 165 (D):        N       122.162       122.162       119.182         2.980
RESID 165 (D):       HA         4.428         4.428         4.280         0.148
RESID 165 (D):        C       179.896       179.896       178.211         1.685
RESID 165 (D):       CA        57.546        57.546        57.342         0.204
RESID 165 (D):       CB        39.524        39.524        40.532        -1.008
RESID 165 (D):        H         8.711         8.711         8.549         0.162
RESID 166 (E):        N       121.227       121.227       119.996         1.231
RESID 166 (E):       HA         3.956         3.956         4.078        -0.122
RESID 166 (E):        C       180.125       180.125       178.522         1.603
RESID 166 (E):       CA        59.288        59.288        59.160         0.128
RESID 166 (E):       CB        29.458        29.458        29.562        -0.104
RESID 166 (E):        H         8.566         8.566         7.649         0.917
RESID 167 (A):        N       123.246       123.246       122.821         0.425
RESID 167 (A):       HA         4.255         4.255         3.816         0.439
RESID 167 (A):        C       180.675       180.675       179.184         1.491
RESID 167 (A):       CA        55.207        55.207        55.438        -0.231
RESID 167 (A):       CB        18.141        18.141        18.166        -0.025
RESID 167 (A):        H         7.929         7.929         8.506        -0.577
RESID 168 (D):        N       120.476       120.476       118.957         1.519
RESID 168 (D):       HA         4.441         4.441         4.191         0.250
RESID 168 (D):        C       178.499       178.499       177.972         0.527
RESID 168 (D):       CA        57.433        57.433        57.691        -0.258
RESID 168 (D):       CB        40.758        40.758        40.769        -0.011
RESID 168 (D):        H         8.670         8.670         8.516         0.154
RESID 169 (E):        N       120.325       120.325       120.014         0.311
RESID 169 (E):       HA         4.041         4.041         3.949         0.092
RESID 169 (E):        C       178.994       178.994       178.863         0.131
RESID 169 (E):       CA        59.375        59.375        59.282         0.093
RESID 169 (E):       CB        28.864        28.864        29.534        -0.669
RESID 169 (E):        H         8.079         8.079         7.899         0.180
RESID 170 (L):        N       120.582       120.582       119.284         1.298
RESID 170 (L):       HA         4.131         4.131         3.890         0.241
RESID 170 (L):        C       179.013       179.013       178.559         0.454
RESID 170 (L):       CA        58.045        58.045        57.616         0.429
RESID 170 (L):       CB        41.675        41.675        41.604         0.071
RESID 170 (L):        H         7.615         7.615         8.283        -0.668
RESID 171 (T):        N       118.834       118.834       116.197         2.637
RESID 171 (T):       HA         4.036         4.036         3.747         0.289
RESID 171 (T):        C       175.899       175.899       176.575        -0.676
RESID 171 (T):       CA        68.163        68.163        67.127         1.036
RESID 171 (T):       CB        68.338        68.338        68.569        -0.231
RESID 171 (T):        H         8.815         8.815         8.088         0.727
RESID 172 (R):        N       118.894       118.894       121.017        -2.123
RESID 172 (R):       HA         3.885         3.885         3.878         0.007
RESID 172 (R):        C       179.660       179.660       178.900         0.760
RESID 172 (R):       CA        60.269        60.269        60.331        -0.062
RESID 172 (R):       CB        29.990        29.990        30.042        -0.052
RESID 172 (R):        H         8.249         8.249         8.579        -0.330
RESID 173 (R):        N       120.681       120.681       118.806         1.875
RESID 173 (R):       HA         4.030         4.030         4.205        -0.175
RESID 173 (R):        C       179.645       179.645       178.936         0.709
RESID 173 (R):       CA        59.615        59.615        59.102         0.513
RESID 173 (R):       CB        30.566        30.566        29.741         0.825
RESID 173 (R):        H         7.961         7.961         7.932         0.029
RESID 174 (F):        N       118.546       118.546       119.860        -1.314
RESID 174 (F):       HA         4.292         4.292         4.362        -0.070
RESID 174 (F):        C       178.154       178.154       177.954         0.200
RESID 174 (F):       CA        63.590        63.590        58.991         4.599
RESID 174 (F):       CB        40.383        40.383        38.000         2.383
RESID 174 (F):        H         8.548         8.548         8.070         0.478
RESID 175 (V):        N       118.935       118.935       120.379        -1.444
RESID 175 (V):       HA         3.373         3.373         3.579        -0.206
RESID 175 (V):        C       177.099       177.099       177.968        -0.869
RESID 175 (V):       CA        67.334        67.334        66.630         0.704
RESID 175 (V):       CB        31.745        31.745        31.029         0.716
RESID 175 (V):        H         8.770         8.770         8.582         0.188
RESID 176 (A):        N       120.243       120.243       121.958        -1.715
RESID 176 (A):       HA         4.162         4.162         4.121         0.041
RESID 176 (A):        C       181.643       181.643       179.041         2.602
RESID 176 (A):       CA        55.105        55.105        54.966         0.139
RESID 176 (A):       CB        17.765        17.765        18.738        -0.973
RESID 176 (A):        H         7.967         7.967         8.085        -0.118
RESID 177 (L):        N       121.411       121.411       115.742         5.669
RESID 177 (L):       HA         3.938         3.938         4.351        -0.413
RESID 177 (L):        C       178.694       178.694       178.126         0.568
RESID 177 (L):       CA        58.611        58.611        57.032         1.579
RESID 177 (L):       CB        41.513        41.513        42.283        -0.770
RESID 177 (L):        H         7.634         7.634         7.882        -0.248
RESID 178 (M):        N       118.652       118.652       119.905        -1.253
RESID 178 (M):       HA         3.564         3.564         3.940        -0.376
RESID 178 (M):        C       181.569       181.569       178.710         2.859
RESID 178 (M):       CA        59.718        59.718        59.264         0.454
RESID 178 (M):       CB        33.450        33.450        32.313         1.137
RESID 178 (M):        H         7.940         7.940         8.101        -0.161
RESID 179 (D):        N       121.310       121.310       120.417         0.893
RESID 179 (D):       HA         4.371         4.371         4.405        -0.034
RESID 179 (D):        C       177.730       177.730       176.885         0.845
RESID 179 (D):       CA        56.932        56.932        56.357         0.575
RESID 179 (D):       CB        39.826        39.826        40.549        -0.723
RESID 179 (D):        H         9.022         9.022         8.334         0.688
RESID 180 (A):        N       120.199       120.199       119.714         0.485
RESID 180 (A):       HA         4.357         4.357         4.355         0.002
RESID 180 (A):        C       177.935       177.935       178.037        -0.102
RESID 180 (A):       CA        52.276        52.276        51.731         0.545
RESID 180 (A):       CB        19.028        19.028        18.352         0.676
RESID 180 (A):        H         7.667         7.667         7.886        -0.219
RESID 181 (G):        N       107.115       107.115       107.474        -0.359
RESID 181 (G):        C       175.650       175.650       174.698         0.952
RESID 181 (G):       CA        45.480        45.480        45.723        -0.243
RESID 181 (G):        H         7.916         7.916         7.763         0.153
RESID 182 (E):        N       120.055       120.055       121.444        -1.389
RESID 182 (E):       HA         4.701         4.701         4.634         0.067
RESID 182 (E):       CA        54.158        54.158        53.760         0.398
RESID 182 (E):       CB        28.461        28.461        31.070        -2.609
RESID 182 (E):        H         7.887         7.887         7.710         0.177
RESID 183 (P):       HA         4.729         4.729         4.547         0.182
RESID 183 (P):        C       177.156       177.156       176.775         0.381
RESID 183 (P):       CA        62.595        62.595        62.423         0.172
RESID 183 (P):       CB        33.002        33.002        32.302         0.700
RESID 184 (A):        N       124.966       124.966       121.855         3.111
RESID 184 (A):       HA         3.372         3.372         3.774        -0.402
RESID 184 (A):        C       173.383       173.383       177.213        -3.830
RESID 184 (A):       CA        54.234        54.234        54.178         0.056
RESID 184 (A):       CB        19.100        19.100        18.236         0.864
RESID 184 (A):        H         9.082         9.082         8.768         0.314
RESID 185 (D):        N       107.028       107.028       111.542        -4.514
RESID 185 (D):       HA         4.474         4.474         4.543        -0.069
RESID 185 (D):        C       176.790       176.790       175.944         0.846
RESID 185 (D):       CA        50.914        50.914        52.672        -1.758
RESID 185 (D):       CB        39.354        39.354        40.345        -0.991
RESID 185 (D):        H         7.364         7.364         8.476        -1.112
RESID 186 (S):        N       113.421       113.421       115.202        -1.781
RESID 186 (S):       HA         4.328         4.328         4.450        -0.122
RESID 186 (S):        C       174.699       174.699       175.774        -1.075
RESID 186 (S):       CA        57.769        57.769        57.108         0.661
RESID 186 (S):       CB        65.781        65.781        65.162         0.619
RESID 186 (S):        H         7.676         7.676         7.483         0.193
RESID 187 (E):        N       121.832       121.832       122.541        -0.709
RESID 187 (E):       HA         3.698         3.698         3.958        -0.260
RESID 187 (E):        C       178.242       178.242       178.954        -0.712
RESID 187 (E):       CA        60.525        60.525        59.688         0.837
RESID 187 (E):       CB        29.271        29.271        28.711         0.560
RESID 187 (E):        H         9.064         9.064         8.870         0.194
RESID 188 (G):        N       103.385       103.385       106.849        -3.464
RESID 188 (G):        C       176.865       176.865       175.877         0.988
RESID 188 (G):       CA        47.142        47.142        46.617         0.525
RESID 188 (G):        H         8.688         8.688         8.567         0.121
RESID 189 (A):        N       125.710       125.710       125.100         0.610
RESID 189 (A):       HA         4.040         4.040         4.192        -0.152
RESID 189 (A):        C       179.646       179.646       179.245         0.401
RESID 189 (A):       CA        55.511        55.511        54.497         1.014
RESID 189 (A):       CB        18.211        18.211        18.702        -0.491
RESID 189 (A):        H         7.716         7.716         7.211         0.505
RESID 190 (M):        N       117.503       117.503       118.132        -0.629
RESID 190 (M):       HA         4.060         4.060         4.038         0.022
RESID 190 (M):        C       178.705       178.705       177.731         0.974
RESID 190 (M):       CA        60.473        60.473        58.715         1.758
RESID 190 (M):       CB        33.599        33.599        32.740         0.859
RESID 190 (M):        H         8.569         8.569         8.594        -0.025
RESID 191 (D):        N       119.826       119.826       118.677         1.149
RESID 191 (D):       HA         4.276         4.276         4.682        -0.406
RESID 191 (D):        C       178.528       178.528       178.022         0.506
RESID 191 (D):       CA        57.152        57.152        56.671         0.481
RESID 191 (D):       CB        39.009        39.009        40.194        -1.185
RESID 191 (D):        H         8.820         8.820         8.267         0.553
RESID 192 (A):        N       123.880       123.880       123.568         0.312
RESID 192 (A):       HA         3.905         3.905         4.431        -0.526
RESID 192 (A):        C       179.032       179.032       179.839        -0.807
RESID 192 (A):       CA        55.448        55.448        55.044         0.404
RESID 192 (A):       CB        15.703        15.703        18.052        -2.349
RESID 192 (A):        H         7.544         7.544         7.345         0.199
RESID 193 (A):        N       120.855       120.855       120.627         0.228
RESID 193 (A):       HA         4.358         4.358         3.965         0.393
RESID 193 (A):        C       179.427       179.427       179.603        -0.176
RESID 193 (A):       CA        55.521        55.521        55.037         0.484
RESID 193 (A):       CB        18.361        18.361        18.018         0.343
RESID 193 (A):        H         8.435         8.435         7.682         0.753
RESID 194 (E):        N       122.123       122.123       118.909         3.214
RESID 194 (E):       HA         4.375         4.375         4.024         0.351
RESID 194 (E):        C       178.565       178.565       179.017        -0.452
RESID 194 (E):       CA        58.780        58.780        59.932        -1.152
RESID 194 (E):       CB        27.301        27.301        29.561        -2.260
RESID 194 (E):        H         8.778         8.778         7.758         1.020
RESID 195 (D):        N       121.253       121.253       118.319         2.934
RESID 195 (D):       HA         4.408         4.408         4.357         0.051
RESID 195 (D):        C       179.882       179.882       178.436         1.446
RESID 195 (D):       CA        57.421        57.421        57.292         0.129
RESID 195 (D):       CB        39.518        39.518        40.283        -0.765
RESID 195 (D):        H         8.213         8.213         8.062         0.151
RESID 196 (H):        N       124.862       124.862       121.718         3.144
RESID 196 (H):       HA         4.172         4.172         4.331        -0.159
RESID 196 (H):        C       177.779       177.779       177.506         0.273
RESID 196 (H):       CA        61.442        61.442        59.772         1.670
RESID 196 (H):       CB        31.474        31.474        30.495         0.979
RESID 196 (H):        H         8.857         8.857         8.021         0.836
RESID 197 (R):        N       123.019       123.019       118.966         4.053
RESID 197 (R):       HA         3.001         3.001         4.311        -1.310
RESID 197 (R):        C       178.632       178.632       178.700        -0.068
RESID 197 (R):       CA        60.121        60.121        59.263         0.858
RESID 197 (R):       CB        30.529        30.529        29.715         0.814
RESID 197 (R):        H         8.371         8.371         8.339         0.032
RESID 198 (Q):        N       114.857       114.857       120.544        -5.687
RESID 198 (Q):       HA         3.780         3.780         4.042        -0.262
RESID 198 (Q):        C       179.002       179.002       178.642         0.360
RESID 198 (Q):       CA        58.513        58.513        58.670        -0.157
RESID 198 (Q):       CB        27.753        27.753        28.091        -0.338
RESID 198 (Q):        H         8.283         8.283         7.993         0.290
RESID 199 (G):        N       109.227       109.227       107.473         1.754
RESID 199 (G):        C       175.335       175.335       175.699        -0.364
RESID 199 (G):       CA        46.966        46.966        46.218         0.748
RESID 199 (G):        H         8.177         8.177         7.740         0.437
RESID 200 (I):        N       123.036       123.036       122.625         0.411
RESID 200 (I):       HA         3.493         3.493         3.741        -0.248
RESID 200 (I):        C       178.329       178.329       176.890         1.439
RESID 200 (I):       CA        64.940        64.940        63.652         1.288
RESID 200 (I):       CB        36.330        36.330        37.973        -1.643
RESID 200 (I):        H         7.474         7.474         7.380         0.094
RESID 201 (A):        N       121.122       121.122       121.658        -0.536
RESID 201 (A):       HA         4.501         4.501         4.132         0.369
RESID 201 (A):        C       179.480       179.480       178.004         1.476
RESID 201 (A):       CA        53.082        53.082        54.603        -1.521
RESID 201 (A):       CB        18.054        18.054        18.695        -0.641
RESID 201 (A):        H         7.739         7.739         7.710         0.029
RESID 202 (R):        N       115.981       115.981       115.787         0.194
RESID 202 (R):       HA         3.853         3.853         4.104        -0.251
RESID 202 (R):        C       177.874       177.874       178.112        -0.238
RESID 202 (R):       CA        58.391        58.391        58.442        -0.051
RESID 202 (R):       CB        31.163        31.163        30.176         0.987
RESID 202 (R):        H         7.968         7.968         7.524         0.444
RESID 203 (N):        N       111.860       111.860       115.022        -3.162
RESID 203 (N):       HA         4.362         4.362         4.530        -0.168
RESID 203 (N):        C       175.317       175.317       175.198         0.119
RESID 203 (N):       CA        53.644        53.644        54.964        -1.320
RESID 203 (N):       CB        40.307        40.307        39.242         1.065
RESID 203 (N):        H         7.591         7.591         7.901        -0.310
RESID 204 (H):        N       118.469       118.469       114.668         3.801
RESID 204 (H):       HA         4.670         4.670         4.716        -0.046
RESID 204 (H):        C       172.483       172.483       173.753        -1.270
RESID 204 (H):       CA        59.079        59.079        57.359         1.720
RESID 204 (H):       CB        33.877        33.877        33.191         0.687
RESID 204 (H):        H         8.389         8.389         7.783         0.606
RESID 205 (Y):        N       111.831       111.831       112.652        -0.821
RESID 205 (Y):       HA         4.363         4.363         4.721        -0.358
RESID 205 (Y):        C       173.387       173.387       173.687        -0.300
RESID 205 (Y):       CA        56.400        56.400        56.056         0.344
RESID 205 (Y):       CB        39.523        39.523        40.327        -0.804
RESID 205 (Y):        H         7.240         7.240         7.182         0.058
RESID 206 (D):        N       117.047       117.047       122.052        -5.005
RESID 206 (D):       HA         4.033         4.033         4.466        -0.433
RESID 206 (D):        C       175.864       175.864       175.308         0.556
RESID 206 (D):       CA        56.391        56.391        55.731         0.660
RESID 206 (D):       CB        40.166        40.166        40.934        -0.768
RESID 206 (D):        H         8.304         8.304         8.735        -0.431
RESID 207 (C):        N       125.983       125.983       125.598         0.385
RESID 207 (C):       HA         4.694         4.694         4.708        -0.014
RESID 207 (C):        C       172.708       172.708       174.891        -2.183
RESID 207 (C):       CA        57.910        57.910        57.702         0.208
RESID 207 (C):       CB        26.861        26.861        28.492        -1.631
RESID 207 (C):        H         7.581         7.581         8.562        -0.981
RESID 208 (G):        N       113.288       113.288       112.407         0.881
RESID 208 (G):        C       173.509       173.509       173.864        -0.355
RESID 208 (G):       CA        44.579        44.579        45.379        -0.800
RESID 208 (G):        H         8.359         8.359         8.425        -0.066
RESID 209 (Y):        N       116.731       116.731       118.225        -1.494
RESID 209 (Y):       HA         3.965         3.965         4.534        -0.569
RESID 209 (Y):        C       177.981       177.981       176.683         1.298
RESID 209 (Y):       CA        64.964        64.964        56.630         8.334
RESID 209 (Y):       CB        38.046        38.046        37.872         0.174
RESID 209 (Y):        H         8.283         8.283         7.899         0.384
RESID 210 (E):        N       119.927       119.927       120.812        -0.885
RESID 210 (E):       HA         4.089         4.089         3.948         0.141
RESID 210 (E):        C       178.511       178.511       178.497         0.014
RESID 210 (E):       CA        60.166        60.166        59.339         0.827
RESID 210 (E):       CB        28.747        28.747        29.443        -0.696
RESID 210 (E):        H         8.870         8.870         8.101         0.769
RESID 211 (M):        N       120.242       120.242       117.003         3.239
RESID 211 (M):       HA         3.914         3.914         4.295        -0.381
RESID 211 (M):       CA        57.257        57.257        58.373        -1.117
RESID 211 (M):       CB        31.938        31.938        31.370         0.568
RESID 211 (M):        H         8.047         8.047         8.344        -0.297
RESID 212 (H):        N       120.018       120.018       118.939         1.079
RESID 212 (H):       HA         3.977         3.977         4.046        -0.069
RESID 212 (H):        C       178.034       178.034       177.594         0.440
RESID 212 (H):       CA        59.099        59.099        59.026         0.073
RESID 212 (H):       CB        33.381        33.381        29.730         3.651
RESID 212 (H):        H         8.647         8.647         8.481         0.166
RESID 213 (T):        N       107.780       107.780       112.867        -5.087
RESID 213 (T):       HA         3.775         3.775         4.061        -0.286
RESID 213 (T):        C       176.569       176.569       176.498         0.071
RESID 213 (T):       CA        65.841        65.841        65.889        -0.048
RESID 213 (T):       CB        68.584        68.584        68.322         0.262
RESID 213 (T):        H         8.140         8.140         7.882         0.258
RESID 214 (C):        N       120.727       120.727       119.696         1.031
RESID 214 (C):       HA         4.039         4.039         4.405        -0.366
RESID 214 (C):       CA        63.078        63.078        61.251         1.827
RESID 214 (C):        H         7.337         7.337         7.688        -0.351
RESID 215 (L):        N       121.760       121.760       123.241        -1.481
RESID 215 (L):       HA         3.406         3.406         3.939        -0.533
RESID 215 (L):        C       176.549       176.549       178.899        -2.350
RESID 215 (L):       CA        57.581        57.581        57.106         0.475
RESID 215 (L):       CB        40.459        40.459        41.322        -0.862
RESID 215 (L):        H         7.696         7.696         8.695        -0.999
RESID 216 (G):        N       101.717       101.717       106.071        -4.354
RESID 216 (G):        C       174.717       174.717       176.263        -1.546
RESID 216 (G):       CA        47.445        47.445        47.229         0.216
RESID 216 (G):        H         7.849         7.849         8.273        -0.424
RESID 217 (E):        N       115.126       115.126       121.875        -6.749
RESID 217 (E):       HA         4.021         4.021         3.990         0.031
RESID 217 (E):        C       179.892       179.892       179.285         0.607
RESID 217 (E):       CA        58.378        58.378        59.259        -0.881
RESID 217 (E):       CB        28.933        28.933        29.651        -0.718
RESID 217 (E):        H         7.572         7.572         7.573        -0.001
RESID 218 (M):        N       123.032       123.032       115.557         7.475
RESID 218 (M):       HA         3.993         3.993         4.509        -0.516
RESID 218 (M):        C       177.036       177.036       177.907        -0.871
RESID 218 (M):       CA        58.596        58.596        57.633         0.963
RESID 218 (M):       CB        32.582        32.582        32.199         0.383
RESID 218 (M):        H         7.495         7.495         7.673        -0.178
RESID 219 (Y):        N       115.483       115.483       121.613        -6.130
RESID 219 (Y):       HA         4.174         4.174         4.092         0.082
RESID 219 (Y):        C       176.350       176.350       177.125        -0.775
RESID 219 (Y):       CA        56.530        56.530        61.875        -5.345
RESID 219 (Y):       CB        35.854        35.854        38.989        -3.135
RESID 219 (Y):        H         7.521         7.521         7.720        -0.199
RESID 220 (V):        N       109.054       109.054       118.920        -9.866
RESID 220 (V):       HA         4.022         4.022         4.118        -0.096
RESID 220 (V):        C       176.266       176.266       177.277        -1.011
RESID 220 (V):       CA        62.095        62.095        63.396        -1.301
RESID 220 (V):       CB        32.980        32.980        32.287         0.693
RESID 220 (V):        H         6.817         6.817         7.488        -0.671
RESID 221 (S):        N       115.276       115.276       114.279         0.997
RESID 221 (S):       HA         4.368         4.368         4.224         0.144
RESID 221 (S):        C       174.071       174.071       174.971        -0.900
RESID 221 (S):       CA        59.950        59.950        61.087        -1.137
RESID 221 (S):       CB        63.608        63.608        63.354         0.254
RESID 221 (S):        H         8.278         8.278         7.913         0.365
RESID 222 (D):        N       122.686       122.686       122.107         0.579
RESID 222 (D):       HA         4.962         4.962         4.873         0.089
RESID 222 (D):        C       176.246       176.246       176.652        -0.406
RESID 222 (D):       CA        52.489        52.489        53.193        -0.704
RESID 222 (D):       CB        41.604        41.604        41.558         0.046
RESID 222 (D):        H         8.238         8.238         7.736         0.502
RESID 223 (E):        N       124.836       124.836       127.525        -2.689
RESID 223 (E):       HA         4.306         4.306         3.956         0.350
RESID 223 (E):        C       177.201       177.201       178.528        -1.327
RESID 223 (E):       CA        58.566        58.566        59.998        -1.432
RESID 223 (E):       CB        29.326        29.326        29.347        -0.021
RESID 223 (E):        H         8.932         8.932         8.522         0.410
RESID 224 (R):        N       117.537       117.537       120.163        -2.626
RESID 224 (R):       HA         4.102         4.102         4.174        -0.072
RESID 224 (R):        C       181.161       181.161       178.443         2.718
RESID 224 (R):       CA        58.642        58.642        58.305         0.337
RESID 224 (R):       CB        30.996        30.996        29.501         1.495
RESID 224 (R):        H         8.429         8.429         8.196         0.233
RESID 225 (F):        N       116.733       116.733       119.280        -2.547
RESID 225 (F):       HA         4.149         4.149         4.448        -0.299
RESID 225 (F):        C       177.880       177.880       177.708         0.172
RESID 225 (F):       CA        60.916        60.916        61.817        -0.901
RESID 225 (F):       CB        39.728        39.728        39.123         0.605
RESID 225 (F):        H         7.830         7.830         9.027        -1.197
RESID 226 (T):        N       116.162       116.162       116.536        -0.374
RESID 226 (T):       HA         3.637         3.637         4.118        -0.481
RESID 226 (T):        C       176.142       176.142       176.671        -0.529
RESID 226 (T):       CA        67.025        67.025        67.495        -0.470
RESID 226 (T):       CB        68.865        68.865        68.681         0.184
RESID 226 (T):        H         8.182         8.182         8.371        -0.189
RESID 227 (R):        N       115.469       115.469       120.984        -5.515
RESID 227 (R):       HA         3.984         3.984         4.084        -0.100
RESID 227 (R):        C       178.758       178.758       178.660         0.098
RESID 227 (R):       CA        59.109        59.109        59.634        -0.525
RESID 227 (R):       CB        30.331        30.331        30.188         0.143
RESID 227 (R):        H         8.388         8.388         8.563        -0.175
RESID 228 (N):        N       116.518       116.518       116.883        -0.365
RESID 228 (N):       HA         4.637         4.637         4.587         0.050
RESID 228 (N):        C       177.791       177.791       177.003         0.788
RESID 228 (N):       CA        55.214        55.214        55.611        -0.397
RESID 228 (N):       CB        38.118        38.118        38.644        -0.526
RESID 228 (N):        H         6.883         6.883         7.616        -0.733
RESID 229 (I):        N       122.529       122.529       120.103         2.426
RESID 229 (I):       HA         3.824         3.824         3.870        -0.046
RESID 229 (I):        C       178.564       178.564       177.669         0.895
RESID 229 (I):       CA        65.206        65.206        64.920         0.286
RESID 229 (I):       CB        39.514        39.514        38.427         1.087
RESID 229 (I):        H         8.636         8.636         7.798         0.838
RESID 230 (D):        N       118.458       118.458       120.015        -1.557
RESID 230 (D):       HA         4.686         4.686         4.538         0.148
RESID 230 (D):        C       177.491       177.491       178.194        -0.703
RESID 230 (D):       CA        55.594        55.594        56.300        -0.706
RESID 230 (D):       CB        38.864        38.864        39.791        -0.928
RESID 230 (D):        H         8.866         8.866         8.827         0.039
RESID 231 (A):        N       123.132       123.132       122.416         0.716
RESID 231 (A):       HA         4.053         4.053         4.121        -0.068
RESID 231 (A):        C       179.554       179.554       178.363         1.191
RESID 231 (A):       CA        54.925        54.925        54.577         0.348
RESID 231 (A):       CB        18.199        18.199        18.034         0.165
RESID 231 (A):        H         7.074         7.074         7.730        -0.656
RESID 232 (A):        N       116.232       116.232       119.006        -2.774
RESID 232 (A):       HA         4.203         4.203         4.298        -0.095
RESID 232 (A):        C       178.208       178.208       177.159         1.049
RESID 232 (A):       CA        53.686        53.686        52.654         1.032
RESID 232 (A):       CB        19.446        19.446        20.090        -0.644
RESID 232 (A):        H         7.505         7.505         7.688        -0.183
RESID 233 (K):        N       116.503       116.503       118.389        -1.886
RESID 233 (K):       HA         4.464         4.464         4.698        -0.234
RESID 233 (K):       CA        54.363        54.363        53.272         1.091
RESID 233 (K):       CB        34.836        34.836        33.246         1.590
RESID 233 (K):        H         6.678         6.678         7.839        -1.161
RESID 234 (P):       HA         4.277         4.277         4.231         0.046
RESID 234 (P):        C       177.398       177.398       177.451        -0.053
RESID 234 (P):       CA        64.067        64.067        64.616        -0.549
RESID 234 (P):       CB        31.749        31.749        31.178         0.571
RESID 235 (G):        N       112.543       112.543       111.868         0.675
RESID 235 (G):        C       174.848       174.848       175.874        -1.026
RESID 235 (G):       CA        45.098        45.098        45.151        -0.053
RESID 235 (G):        H         8.705         8.705         8.531         0.174
RESID 236 (L):        N       126.659       126.659       123.681         2.978
RESID 236 (L):       HA         4.270         4.270         4.278        -0.008
RESID 236 (L):        C       177.242       177.242       178.131        -0.889
RESID 236 (L):       CA        57.890        57.890        57.407         0.483
RESID 236 (L):       CB        41.658        41.658        41.653         0.005
RESID 236 (L):        H         7.919         7.919         8.464        -0.545
RESID 237 (A):        N       126.005       126.005       121.678         4.327
RESID 237 (A):       HA         3.745         3.745         3.939        -0.194
RESID 237 (A):        C       179.077       179.077       179.044         0.033
RESID 237 (A):       CA        56.464        56.464        55.308         1.156
RESID 237 (A):       CB        17.932        17.932        17.948        -0.016
RESID 237 (A):        H        10.901        10.901         8.954         1.947
RESID 238 (A):        N       118.189       118.189       121.104        -2.915
RESID 238 (A):       HA         3.764         3.764         3.956        -0.192
RESID 238 (A):        C       178.967       178.967       178.642         0.325
RESID 238 (A):       CA        54.549        54.549        54.492         0.056
RESID 238 (A):       CB        17.675        17.675        18.531        -0.856
RESID 238 (A):        H         8.168         8.168         7.710         0.458
RESID 239 (Y):        N       121.259       121.259       120.409         0.850
RESID 239 (Y):       HA         4.073         4.073         4.059         0.014
RESID 239 (Y):        C       177.802       177.802       177.464         0.338
RESID 239 (Y):       CA        62.144        62.144        61.315         0.829
RESID 239 (Y):       CB        39.874        39.874        38.367         1.507
RESID 239 (Y):        H         7.940         7.940         7.562         0.378
RESID 240 (M):        N       116.383       116.383       118.606        -2.223
RESID 240 (M):       HA         3.300         3.300         3.895        -0.595
RESID 240 (M):        C       177.926       177.926       178.133        -0.207
RESID 240 (M):       CA        60.325        60.325        59.559         0.766
RESID 240 (M):       CB        33.236        33.236        31.968         1.268
RESID 240 (M):        H         9.169         9.169         8.751         0.418
RESID 241 (R):        N       118.201       118.201       120.111        -1.910
RESID 241 (R):       HA         3.397         3.397         3.754        -0.357
RESID 241 (R):        C       178.188       178.188       178.330        -0.142
RESID 241 (R):       CA        60.728        60.728        59.271         1.457
RESID 241 (R):       CB        28.104        28.104        29.443        -1.339
RESID 241 (R):        H         8.479         8.479         7.468         1.011
RESID 242 (D):        N       119.314       119.314       118.560         0.754
RESID 242 (D):       HA         4.165         4.165         4.341        -0.176
RESID 242 (D):        C       178.707       178.707       177.965         0.742
RESID 242 (D):       CA        57.489        57.489        56.968         0.521
RESID 242 (D):       CB        39.827        39.827        40.615        -0.788
RESID 242 (D):        H         8.016         8.016         8.028        -0.012
RESID 243 (A):        N       127.195       127.195       122.714         4.481
RESID 243 (A):       HA         4.399         4.399         4.069         0.330
RESID 243 (A):        C       179.891       179.891       179.750         0.141
RESID 243 (A):       CA        54.946        54.946        54.437         0.509
RESID 243 (A):       CB        19.100        19.100        18.086         1.014
RESID 243 (A):        H         8.620         8.620         8.102         0.518
RESID 244 (I):        N       120.697       120.697       119.410         1.287
RESID 244 (I):       HA         3.540         3.540         3.339         0.201
RESID 244 (I):        C       179.591       179.591       177.307         2.284
RESID 244 (I):       CA        65.737        65.737        63.747         1.990
RESID 244 (I):       CB        37.579        37.579        37.810        -0.231
RESID 244 (I):        H         8.871         8.871         7.930         0.941
RESID 245 (L):        N       121.753       121.753       120.578         1.175
RESID 245 (L):       HA         3.987         3.987         3.732         0.255
RESID 245 (L):        C       179.065       179.065       179.031         0.034
RESID 245 (L):       CA        58.462        58.462        58.291         0.171
RESID 245 (L):       CB        41.173        41.173        41.444        -0.271
RESID 245 (L):        H         8.311         8.311         7.883         0.428
RESID 246 (A):        N       121.174       121.174       119.730         1.444
RESID 246 (A):       HA         4.081         4.081         3.911         0.170
RESID 246 (A):        C       180.864       180.864       179.735         1.129
RESID 246 (A):       CA        55.306        55.306        54.929         0.377
RESID 246 (A):       CB        16.939        16.939        18.262        -1.323
RESID 246 (A):        H         8.100         8.100         8.218        -0.118
RESID 247 (N):        N       117.391       117.391       118.154        -0.763
RESID 247 (N):       HA         4.582         4.582         4.330         0.252
RESID 247 (N):        C       177.205       177.205       177.018         0.187
RESID 247 (N):       CA        56.362        56.362        55.683         0.679
RESID 247 (N):       CB        40.264        40.264        38.259         2.005
RESID 247 (N):        H         8.948         8.948         7.706         1.242
RESID 248 (A):        N       124.544       124.544       120.667         3.877
RESID 248 (A):       HA         3.917         3.917         3.932        -0.015
RESID 248 (A):        C       180.931       180.931       179.055         1.876
RESID 248 (A):       CA        55.851        55.851        54.407         1.444
RESID 248 (A):       CB        17.991        17.991        18.620        -0.629
RESID 248 (A):        H         8.432         8.432         8.005         0.427
RESID 249 (V):        N       120.469       120.469       117.622         2.847
RESID 249 (V):       HA         3.575         3.575         3.678        -0.103
RESID 249 (V):        C       179.608       179.608       178.601         1.007
RESID 249 (V):       CA        66.636        66.636        66.362         0.274
RESID 249 (V):       CB        31.449        31.449        31.741        -0.292
RESID 249 (V):        H         8.214         8.214         7.384         0.830
RESID 250 (R):        N       116.667       116.667       117.193        -0.526
RESID 250 (R):       HA         4.269         4.269         4.212         0.057
RESID 250 (R):        C       176.251       176.251       177.312        -1.061
RESID 250 (R):       CA        57.938        57.938        56.974         0.964
RESID 250 (R):       CB        28.897        28.897        29.991        -1.094
RESID 250 (R):        H         7.583         7.583         7.594        -0.011
RESID 251 (H):        N       115.928       115.928       114.720         1.208
RESID 251 (H):       HA         4.472         4.472         4.575        -0.103
RESID 251 (H):        C       173.245       173.245       173.956        -0.711
RESID 251 (H):       CA        56.667        56.667        55.594         1.073
RESID 251 (H):       CB        28.543        28.543        29.071        -0.528
RESID 251 (H):        H         7.163         7.163         7.734        -0.571
RESID 252 (T):        N       118.280       118.280       115.115         3.165
RESID 252 (T):       HA         4.517         4.517         4.458         0.059
RESID 252 (T):       CA        60.673        60.673        58.720         1.953
RESID 252 (T):       CB        70.034        70.034        69.977         0.057
RESID 252 (T):        H         7.449         7.449         7.100         0.349

                         N          HA           C          CA          CB           H
RESID 113 (N):      -2.645      -0.098       0.400       0.243      -0.714       0.096
RESID 114 (L):      -2.506       0.271       0.592      -0.811       1.050      -0.218
RESID 115 (T):      -2.998      -0.066       -----       2.156      -2.419       0.816
RESID 116 (P):       -----      -0.188       0.782       0.556      -0.153       -----
RESID 117 (E):      -0.665       0.089       0.666       1.352      -0.549       0.893
RESID 118 (E):       0.840      -0.206      -0.309       0.815       2.318       0.032
RESID 119 (K):      -3.185      -0.329      -1.035       0.577       0.120       0.398
RESID 120 (F):       0.903       0.358       -----      -0.491       0.429      -0.542
RESID 121 (E):       1.582      -0.377      -0.462       0.494       0.431      -0.263
RESID 122 (V):      -2.353      -0.003       0.739       0.562       1.197       0.103
RESID 123 (F):      -0.941       0.502       1.508      -1.855      -0.253       0.418
RESID 124 (G):       5.281       -----       0.632       0.731       -----       0.283
RESID 125 (D):       6.129       0.358       1.684       1.574      -0.718       0.585
RESID 126 (F):       1.675      -0.347       0.545       2.431      -0.658       0.022
RESID 127 (D):      -1.808       0.104       -----      -0.880      -2.222      -0.324
RESID 128 (P):       -----      -0.070       1.071      -0.893       0.240       -----
RESID 129 (D):      -2.521      -0.062      -0.671      -0.602      -0.244      -0.330
RESID 130 (Q):      -1.766      -0.207      -2.654      -1.437      -0.945      -1.880
RESID 131 (Y):      -3.194       0.313      -2.638      -0.662       2.322      -0.914
RESID 132 (E):      -2.371       0.030      -0.298      -0.137       0.591      -1.635
RESID 133 (E):       1.646      -0.007      -0.812       0.263      -0.724       0.908
RESID 134 (E):       2.023      -0.152      -0.932       0.044      -1.271       0.503
RESID 135 (V):       0.633      -0.621      -0.012       0.131       1.008      -0.208
RESID 136 (R):      -3.547      -1.012       1.073      -0.394      -0.095      -0.106
RESID 137 (E):       2.835      -0.401      -0.130       0.863      -0.120       0.833
RESID 138 (R):      -3.018      -0.183       1.260       0.117      -0.117       0.451
RESID 139 (W):      -1.363       0.166      -0.419      -1.871      -2.173      -0.135
RESID 140 (G):       2.514       -----      -0.696      -0.128       -----      -0.430
RESID 141 (N):       2.972       0.244       1.729      -0.833      -1.903      -0.024
RESID 142 (T):      -4.656       0.180       0.802       0.009       2.489       0.101
RESID 143 (D):      -5.179       0.291       0.808      -0.817      -0.176       0.133
RESID 144 (A):       1.003       0.695       1.131       0.008       0.007       0.667
RESID 145 (Y):      -1.875       0.109      -0.114       3.177       2.080       0.778
RESID 146 (R):       1.272       0.317       0.644       0.568       0.372       0.027
RESID 147 (Q):       1.015      -0.213       0.335       0.721       0.898       0.938
RESID 148 (S):      -1.087       0.779       1.929      -0.296       0.555       0.620
RESID 149 (K):       4.967       0.007       0.047      -0.325      -0.421       0.826
RESID 150 (E):      -2.275       0.050       1.054      -0.269       0.142      -0.576
RESID 151 (K):       2.190      -0.424       0.178       1.226      -0.204       0.215
RESID 152 (T):      -8.860       1.148       -----      -0.222       1.743       0.145
RESID 153 (A):      -0.879       0.189      -0.388      -0.055       0.330      -0.254
RESID 154 (S):      -1.723      -0.049       1.184       0.531       -----      -0.283
RESID 155 (Y):      -0.289       0.709       1.998      -4.049      -1.309      -0.561
RESID 156 (T):      -0.570       0.062       0.285       1.017       1.442       1.035
RESID 157 (K):       0.417      -0.289      -1.339       2.012      -0.333       0.418
RESID 158 (E):      -2.384      -0.013       1.130       0.437       0.186       0.761
RESID 159 (D):      -0.923       0.016      -1.172       0.140       0.906      -0.878
RESID 160 (W):      -3.043      -0.056      -0.481       0.803       0.306       0.311
RESID 161 (Q):      -0.589      -0.078      -0.968      -0.229       0.619       0.546
RESID 162 (R):      -0.127      -0.062      -0.666       1.351      -0.827      -0.301
RESID 163 (I):      -0.614      -0.368       1.185       0.479       0.475      -0.014
RESID 164 (Q):       1.878       0.375       0.636      -1.612       1.048      -0.199
RESID 165 (D):       2.980       0.148       1.685       0.204      -1.008       0.162
RESID 166 (E):       1.231      -0.122       1.603       0.128      -0.104       0.917
RESID 167 (A):       0.425       0.439       1.491      -0.231      -0.025      -0.577
RESID 168 (D):       1.519       0.250       0.527      -0.258      -0.011       0.154
RESID 169 (E):       0.311       0.092       0.131       0.093      -0.669       0.180
RESID 170 (L):       1.298       0.241       0.454       0.429       0.071      -0.668
RESID 171 (T):       2.637       0.289      -0.676       1.036      -0.231       0.727
RESID 172 (R):      -2.123       0.007       0.760      -0.062      -0.052      -0.330
RESID 173 (R):       1.875      -0.175       0.709       0.513       0.825       0.029
RESID 174 (F):      -1.314      -0.070       0.200       4.599       2.383       0.478
RESID 175 (V):      -1.444      -0.206      -0.869       0.704       0.716       0.188
RESID 176 (A):      -1.715       0.041       2.602       0.139      -0.973      -0.118
RESID 177 (L):       5.669      -0.413       0.568       1.579      -0.770      -0.248
RESID 178 (M):      -1.253      -0.376       2.859       0.454       1.137      -0.161
RESID 179 (D):       0.893      -0.034       0.845       0.575      -0.723       0.688
RESID 180 (A):       0.485       0.002      -0.102       0.545       0.676      -0.219
RESID 181 (G):      -0.359       -----       0.952      -0.243       -----       0.153
RESID 182 (E):      -1.389       0.067       -----       0.398      -2.609       0.177
RESID 183 (P):       -----       0.182       0.381       0.172       0.700       -----
RESID 184 (A):       3.111      -0.402      -3.830       0.056       0.864       0.314
RESID 185 (D):      -4.514      -0.069       0.846      -1.758      -0.991      -1.112
RESID 186 (S):      -1.781      -0.122      -1.075       0.661       0.619       0.193
RESID 187 (E):      -0.709      -0.260      -0.712       0.837       0.560       0.194
RESID 188 (G):      -3.464       -----       0.988       0.525       -----       0.121
RESID 189 (A):       0.610      -0.152       0.401       1.014      -0.491       0.505
RESID 190 (M):      -0.629       0.022       0.974       1.758       0.859      -0.025
RESID 191 (D):       1.149      -0.406       0.506       0.481      -1.185       0.553
RESID 192 (A):       0.312      -0.526      -0.807       0.404      -2.349       0.199
RESID 193 (A):       0.228       0.393      -0.176       0.484       0.343       0.753
RESID 194 (E):       3.214       0.351      -0.452      -1.152      -2.260       1.020
RESID 195 (D):       2.934       0.051       1.446       0.129      -0.765       0.151
RESID 196 (H):       3.144      -0.159       0.273       1.670       0.979       0.836
RESID 197 (R):       4.053      -1.310      -0.068       0.858       0.814       0.032
RESID 198 (Q):      -5.687      -0.262       0.360      -0.157      -0.338       0.290
RESID 199 (G):       1.754       -----      -0.364       0.748       -----       0.437
RESID 200 (I):       0.411      -0.248       1.439       1.288      -1.643       0.094
RESID 201 (A):      -0.536       0.369       1.476      -1.521      -0.641       0.029
RESID 202 (R):       0.194      -0.251      -0.238      -0.051       0.987       0.444
RESID 203 (N):      -3.162      -0.168       0.119      -1.320       1.065      -0.310
RESID 204 (H):       3.801      -0.046      -1.270       1.720       0.687       0.606
RESID 205 (Y):      -0.821      -0.358      -0.300       0.344      -0.804       0.058
RESID 206 (D):      -5.005      -0.433       0.556       0.660      -0.768      -0.431
RESID 207 (C):       0.385      -0.014      -2.183       0.208      -1.631      -0.981
RESID 208 (G):       0.881       -----      -0.355      -0.800       -----      -0.066
RESID 209 (Y):      -1.494      -0.569       1.298       8.334       0.174       0.384
RESID 210 (E):      -0.885       0.141       0.014       0.827      -0.696       0.769
RESID 211 (M):       3.239      -0.381       -----      -1.117       0.568      -0.297
RESID 212 (H):       1.079      -0.069       0.440       0.073       3.651       0.166
RESID 213 (T):      -5.087      -0.286       0.071      -0.048       0.262       0.258
RESID 214 (C):       1.031      -0.366       -----       1.827       -----      -0.351
RESID 215 (L):      -1.481      -0.533      -2.350       0.475      -0.862      -0.999
RESID 216 (G):      -4.354       -----      -1.546       0.216       -----      -0.424
RESID 217 (E):      -6.749       0.031       0.607      -0.881      -0.718      -0.001
RESID 218 (M):       7.475      -0.516      -0.871       0.963       0.383      -0.178
RESID 219 (Y):      -6.130       0.082      -0.775      -5.345      -3.135      -0.199
RESID 220 (V):      -9.866      -0.096      -1.011      -1.301       0.693      -0.671
RESID 221 (S):       0.997       0.144      -0.900      -1.137       0.254       0.365
RESID 222 (D):       0.579       0.089      -0.406      -0.704       0.046       0.502
RESID 223 (E):      -2.689       0.350      -1.327      -1.432      -0.021       0.410
RESID 224 (R):      -2.626      -0.072       2.718       0.337       1.495       0.233
RESID 225 (F):      -2.547      -0.299       0.172      -0.901       0.605      -1.197
RESID 226 (T):      -0.374      -0.481      -0.529      -0.470       0.184      -0.189
RESID 227 (R):      -5.515      -0.100       0.098      -0.525       0.143      -0.175
RESID 228 (N):      -0.365       0.050       0.788      -0.397      -0.526      -0.733
RESID 229 (I):       2.426      -0.046       0.895       0.286       1.087       0.838
RESID 230 (D):      -1.557       0.148      -0.703      -0.706      -0.928       0.039
RESID 231 (A):       0.716      -0.068       1.191       0.348       0.165      -0.656
RESID 232 (A):      -2.774      -0.095       1.049       1.032      -0.644      -0.183
RESID 233 (K):      -1.886      -0.234       -----       1.091       1.590      -1.161
RESID 234 (P):       -----       0.046      -0.053      -0.549       0.571       -----
RESID 235 (G):       0.675       -----      -1.026      -0.053       -----       0.174
RESID 236 (L):       2.978      -0.008      -0.889       0.483       0.005      -0.545
RESID 237 (A):       4.327      -0.194       0.033       1.156      -0.016       1.947
RESID 238 (A):      -2.915      -0.192       0.325       0.056      -0.856       0.458
RESID 239 (Y):       0.850       0.014       0.338       0.829       1.507       0.378
RESID 240 (M):      -2.223      -0.595      -0.207       0.766       1.268       0.418
RESID 241 (R):      -1.910      -0.357      -0.142       1.457      -1.339       1.011
RESID 242 (D):       0.754      -0.176       0.742       0.521      -0.788      -0.012
RESID 243 (A):       4.481       0.330       0.141       0.509       1.014       0.518
RESID 244 (I):       1.287       0.201       2.284       1.990      -0.231       0.941
RESID 245 (L):       1.175       0.255       0.034       0.171      -0.271       0.428
RESID 246 (A):       1.444       0.170       1.129       0.377      -1.323      -0.118
RESID 247 (N):      -0.763       0.252       0.187       0.679       2.005       1.242
RESID 248 (A):       3.877      -0.015       1.876       1.444      -0.629       0.427
RESID 249 (V):       2.847      -0.103       1.007       0.274      -0.292       0.830
RESID 250 (R):      -0.526       0.057      -1.061       0.964      -1.094      -0.011
RESID 251 (H):       1.208      -0.103      -0.711       1.073      -0.528      -0.571
RESID 252 (T):       3.165       0.059       -----       1.953       0.057       0.349

DATA CS_STAT_INFO  N  RMS:   2.884 ppm Count: 137 Average Difference:  0.299 +/- 2.879 ppm
DATA CS_STAT_INFO  HA RMS:   0.337 ppm Count: 149 Average Difference:  0.039 +/- 0.336 ppm
DATA CS_STAT_INFO  C  RMS:   1.097 ppm Count: 132 Average Difference: -0.188 +/- 1.085 ppm
DATA CS_STAT_INFO  CA RMS:   1.352 ppm Count: 141 Average Difference: -0.283 +/- 1.327 ppm
DATA CS_STAT_INFO  CB RMS:   1.108 ppm Count: 131 Average Difference: -0.017 +/- 1.112 ppm
DATA CS_STAT_INFO  HN RMS:   0.586 ppm Count: 137 Average Difference: -0.104 +/- 0.579 ppm


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

                   Atom      Original     Corrected        SPARTA    Difference
RESID 112 (I):        N       120.180       120.180       121.219        -1.039
RESID 112 (I):       HA         4.320         4.320         4.632        -0.312
RESID 112 (I):        C       176.436       176.436       175.414         1.022
RESID 112 (I):       CA        61.350        61.350        60.049         1.301
RESID 112 (I):       CB        38.688        38.688        37.893         0.795
RESID 112 (I):        H         8.735         8.735         7.979         0.756
RESID 113 (N):        N       125.593       125.593       128.018        -2.425
RESID 113 (N):       HA         4.915         4.915         5.028        -0.113
RESID 113 (N):        C       174.326       174.326       173.820         0.506
RESID 113 (N):       CA        52.993        52.993        53.006        -0.013
RESID 113 (N):       CB        37.402        37.402        38.479        -1.077
RESID 113 (N):        H         8.939         8.939         8.898         0.041
RESID 114 (L):        N       120.224       120.224       121.097        -0.873
RESID 114 (L):       HA         4.943         4.943         4.703         0.240
RESID 114 (L):        C       176.954       176.954       176.305         0.649
RESID 114 (L):       CA        53.421        53.421        53.850        -0.429
RESID 114 (L):       CB        46.761        46.761        45.895         0.866
RESID 114 (L):        H         7.667         7.667         7.901        -0.234
RESID 115 (T):        N       114.226       114.226       116.799        -2.573
RESID 115 (T):       HA         4.661         4.661         4.743        -0.082
RESID 115 (T):       CA        60.696        60.696        57.703         2.994
RESID 115 (T):       CB        67.843        67.843        70.261        -2.418
RESID 115 (T):        H         9.357         9.357         8.526         0.831
RESID 116 (P):       HA         4.150         4.150         4.144         0.006
RESID 116 (P):        C       179.425       179.425       178.379         1.046
RESID 116 (P):       CA        66.423        66.423        65.662         0.761
RESID 116 (P):       CB        31.661        31.661        31.815        -0.154
RESID 117 (E):        N       116.894       116.894       116.364         0.530
RESID 117 (E):       HA         4.117         4.117         4.289        -0.172
RESID 117 (E):        C       179.580       179.580       178.668         0.912
RESID 117 (E):       CA        60.388        60.388        58.834         1.554
RESID 117 (E):       CB        28.810        28.810        29.571        -0.761
RESID 117 (E):        H         8.731         8.731         7.822         0.909
RESID 118 (E):        N       120.845       120.845       119.560         1.285
RESID 118 (E):       HA         4.011         4.011         4.192        -0.181
RESID 118 (E):        C       178.520       178.520       178.887        -0.367
RESID 118 (E):       CA        58.955        58.955        58.429         0.526
RESID 118 (E):       CB        31.576        31.576        29.423         2.153
RESID 118 (E):        H         7.779         7.779         8.142        -0.363
RESID 119 (K):        N       117.419       117.419       120.280        -2.861
RESID 119 (K):       HA         3.741         3.741         4.035        -0.294
RESID 119 (K):        C       178.034       178.034       178.899        -0.865
RESID 119 (K):       CA        60.446        60.446        59.143         1.303
RESID 119 (K):       CB        32.524        32.524        31.751         0.773
RESID 119 (K):        H         8.723         8.723         8.026         0.697
RESID 120 (F):        N       117.618       117.618       116.756         0.862
RESID 120 (F):       HA         4.662         4.662         4.345         0.317
RESID 120 (F):       CA        60.444        60.444        61.189        -0.745
RESID 120 (F):       CB        38.788        38.788        38.495         0.293
RESID 120 (F):        H         7.819         7.819         7.784         0.035
RESID 121 (E):        N       119.300       119.300       118.362         0.938
RESID 121 (E):       HA         3.793         3.793         4.171        -0.378
RESID 121 (E):        C       177.602       177.602       177.585         0.017
RESID 121 (E):       CA        59.453        59.453        58.809         0.644
RESID 121 (E):       CB        29.815        29.815        29.471         0.344
RESID 121 (E):        H         7.898         7.898         7.967        -0.069
RESID 122 (V):        N       112.645       112.645       117.386        -4.741
RESID 122 (V):       HA         3.939         3.939         3.811         0.128
RESID 122 (V):        C       177.072       177.072       176.406         0.666
RESID 122 (V):       CA        64.288        64.288        64.206         0.082
RESID 122 (V):       CB        33.050        33.050        32.459         0.591
RESID 122 (V):        H         7.668         7.668         7.407         0.261
RESID 123 (F):        N       116.335       116.335       115.259         1.076
RESID 123 (F):       HA         5.020         5.020         4.593         0.427
RESID 123 (F):        C       177.796       177.796       176.522         1.274
RESID 123 (F):       CA        56.368        56.368        57.972        -1.604
RESID 123 (F):       CB        40.644        40.644        40.727        -0.083
RESID 123 (F):        H         8.632         8.632         8.093         0.539
RESID 124 (G):        N       112.227       112.227       106.974         5.253
RESID 124 (G):        C       174.159       174.159       174.130         0.029
RESID 124 (G):       CA        46.478        46.478        45.882         0.596
RESID 124 (G):        H         7.974         7.974         7.895         0.079
RESID 125 (D):        N       124.513       124.513       119.460         5.053
RESID 125 (D):       HA         4.613         4.613         4.682        -0.069
RESID 125 (D):        C       175.890       175.890       174.167         1.723
RESID 125 (D):       CA        54.541        54.541        53.522         1.019
RESID 125 (D):       CB        40.610        40.610        41.069        -0.459
RESID 125 (D):        H         8.650         8.650         8.344         0.306
RESID 126 (F):        N       121.949       121.949       120.561         1.388
RESID 126 (F):       HA         4.152         4.152         4.658        -0.506
RESID 126 (F):        C       173.533       173.533       173.173         0.360
RESID 126 (F):       CA        58.831        58.831        56.751         2.080
RESID 126 (F):       CB        39.973        39.973        40.521        -0.548
RESID 126 (F):        H         7.640         7.640         7.754        -0.114
RESID 127 (D):        N       125.341       125.341       125.395        -0.054
RESID 127 (D):       HA         4.908         4.908         4.487         0.421
RESID 127 (D):       CA        48.718        48.718        49.464        -0.746
RESID 127 (D):       CB        41.151        41.151        40.892         0.259
RESID 127 (D):        H         7.764         7.764         7.518         0.246
RESID 128 (P):       HA         3.722         3.722         3.645         0.077
RESID 128 (P):        C       179.160       179.160       178.083         1.077
RESID 128 (P):       CA        63.531        63.531        64.681        -1.150
RESID 128 (P):       CB        32.580        32.580        31.980         0.600
RESID 129 (D):        N       117.916       117.916       117.952        -0.036
RESID 129 (D):       HA         4.352         4.352         4.232         0.120
RESID 129 (D):        C       178.271       178.271       178.081         0.190
RESID 129 (D):       CA        56.905        56.905        57.778        -0.873
RESID 129 (D):       CB        39.712        39.712        40.196        -0.484
RESID 129 (D):        H         7.758         7.758         8.323        -0.565
RESID 130 (Q):        N       116.475       116.475       116.599        -0.124
RESID 130 (Q):       HA         3.827         3.827         3.994        -0.167
RESID 130 (Q):        C       176.033       176.033       178.555        -2.522
RESID 130 (Q):       CA        57.050        57.050        58.577        -1.527
RESID 130 (Q):       CB        27.825        27.825        28.609        -0.784
RESID 130 (Q):        H         7.015         7.015         8.222        -1.207
RESID 131 (Y):        N       114.293       114.293       116.960        -2.667
RESID 131 (Y):       HA         4.716         4.716         4.449         0.267
RESID 131 (Y):        C       174.868       174.868       177.799        -2.931
RESID 131 (Y):       CA        57.346        57.346        55.757         1.589
RESID 131 (Y):       CB        39.648        39.648        36.911         2.737
RESID 131 (Y):        H         6.769         6.769         7.184        -0.415
RESID 132 (E):        N       119.006       119.006       121.411        -2.405
RESID 132 (E):       HA         3.928         3.928         3.943        -0.015
RESID 132 (E):        C       178.378       178.378       178.720        -0.342
RESID 132 (E):       CA        60.171        60.171        60.293        -0.122
RESID 132 (E):       CB        30.065        30.065        29.499         0.566
RESID 132 (E):        H         6.833         6.833         8.457        -1.624
RESID 133 (E):        N       119.319       119.319       117.058         2.261
RESID 133 (E):       HA         4.022         4.022         4.148        -0.126
RESID 133 (E):        C       177.728       177.728       178.381        -0.653
RESID 133 (E):       CA        59.325        59.325        58.581         0.744
RESID 133 (E):       CB        28.294        28.294        29.212        -0.918
RESID 133 (E):        H         8.611         8.611         7.671         0.940
RESID 134 (E):        N       122.908       122.908       120.834         2.074
RESID 134 (E):       HA         3.826         3.826         3.964        -0.138
RESID 134 (E):        C       177.780       177.780       178.881        -1.101
RESID 134 (E):       CA        59.062        59.062        59.107        -0.045
RESID 134 (E):       CB        28.532        28.532        29.716        -1.184
RESID 134 (E):        H         8.094         8.094         7.528         0.566
RESID 135 (V):        N       118.079       118.079       115.315         2.764
RESID 135 (V):       HA         3.342         3.342         3.489        -0.146
RESID 135 (V):        C       177.633       177.633       177.294         0.339
RESID 135 (V):       CA        65.657        65.657        65.421         0.236
RESID 135 (V):       CB        31.449        31.449        31.226         0.223
RESID 135 (V):        H         8.085         8.085         8.034         0.051
RESID 136 (R):        N       117.865       117.865       121.143        -3.278
RESID 136 (R):       HA         3.125         3.125         3.895        -0.770
RESID 136 (R):        C       179.034       179.034       177.950         1.084
RESID 136 (R):       CA        59.253        59.253        59.974        -0.721
RESID 136 (R):       CB        29.856        29.856        30.097        -0.241
RESID 136 (R):        H         7.456         7.456         7.462        -0.006
RESID 137 (E):        N       120.727       120.727       117.573         3.154
RESID 137 (E):       HA         3.714         3.714         4.128        -0.414
RESID 137 (E):        C       178.690       178.690       178.822        -0.132
RESID 137 (E):       CA        59.274        59.274        58.399         0.875
RESID 137 (E):       CB        29.360        29.360        29.394        -0.034
RESID 137 (E):        H         8.517         8.517         7.543         0.974
RESID 138 (R):        N       115.311       115.311       118.092        -2.781
RESID 138 (R):       HA         3.567         3.567         3.934        -0.367
RESID 138 (R):        C       178.897       178.897       177.627         1.270
RESID 138 (R):       CA        58.754        58.754        58.219         0.535
RESID 138 (R):       CB        29.960        29.960        29.616         0.344
RESID 138 (R):        H         8.090         8.090         7.397         0.693
RESID 139 (W):        N       114.241       114.241       117.583        -3.342
RESID 139 (W):       HA         5.078         5.078         4.928         0.150
RESID 139 (W):        C       177.169       177.169       177.751        -0.582
RESID 139 (W):       CA        56.174        56.174        57.294        -1.120
RESID 139 (W):       CB        28.194        28.194        30.186        -1.992
RESID 139 (W):        H         7.805         7.805         7.933        -0.128
RESID 140 (G):        N       110.185       110.185       110.479        -0.294
RESID 140 (G):        C       173.518       173.518       174.522        -1.004
RESID 140 (G):       CA        46.717        46.717        47.101        -0.384
RESID 140 (G):        H         7.639         7.639         8.075        -0.436
RESID 141 (N):        N       116.211       116.211       112.674         3.537
RESID 141 (N):       HA         5.069         5.069         4.773         0.296
RESID 141 (N):        C       175.838       175.838       174.145         1.693
RESID 141 (N):       CA        52.249        52.249        52.662        -0.413
RESID 141 (N):       CB        38.104        38.104        38.655        -0.551
RESID 141 (N):        H         8.387         8.387         7.917         0.470
RESID 142 (T):        N       110.347       110.347       115.277        -4.930
RESID 142 (T):       HA         4.704         4.704         4.538         0.166
RESID 142 (T):        C       175.832       175.832       175.263         0.569
RESID 142 (T):       CA        61.180        61.180        61.429        -0.249
RESID 142 (T):       CB        72.857        72.857        70.660         2.197
RESID 142 (T):        H         7.907         7.907         7.687         0.220
RESID 143 (D):        N       123.392       123.392       128.365        -4.973
RESID 143 (D):       HA         4.565         4.565         4.257         0.308
RESID 143 (D):        C       178.225       178.225       177.406         0.819
RESID 143 (D):       CA        57.387        57.387        58.204        -0.817
RESID 143 (D):       CB        40.346        40.346        40.490        -0.144
RESID 143 (D):        H         8.985         8.985         8.801         0.184
RESID 144 (A):        N       122.309       122.309       120.990         1.319
RESID 144 (A):       HA         3.963         3.963         3.018         0.945
RESID 144 (A):        C       179.688       179.688       178.636         1.052
RESID 144 (A):       CA        55.136        55.136        54.783         0.353
RESID 144 (A):       CB        17.566        17.566        17.534         0.032
RESID 144 (A):        H         8.476         8.476         7.823         0.653
RESID 145 (Y):        N       117.438       117.438       119.119        -1.681
RESID 145 (Y):       HA         4.283         4.283         4.232         0.051
RESID 145 (Y):        C       177.433       177.433       177.447        -0.014
RESID 145 (Y):       CA        62.243        62.243        59.079         3.164
RESID 145 (Y):       CB        40.171        40.171        38.197         1.974
RESID 145 (Y):        H         8.432         8.432         7.625         0.807
RESID 146 (R):        N       119.518       119.518       118.208         1.310
RESID 146 (R):       HA         3.847         3.847         3.544         0.303
RESID 146 (R):        C       179.450       179.450       179.314         0.136
RESID 146 (R):       CA        60.242        60.242        59.528         0.714
RESID 146 (R):       CB        30.115        30.115        29.770         0.345
RESID 146 (R):        H         7.787         7.787         7.869        -0.082
RESID 147 (Q):        N       118.457       118.457       117.853         0.604
RESID 147 (Q):       HA         4.101         4.101         4.331        -0.230
RESID 147 (Q):        C       178.807       178.807       177.787         1.020
RESID 147 (Q):       CA        59.183        59.183        58.219         0.964
RESID 147 (Q):       CB        28.878        28.878        27.918         0.961
RESID 147 (Q):        H         8.960         8.960         8.050         0.910
RESID 148 (S):        N       115.758       115.758       116.762        -1.004
RESID 148 (S):       HA         4.979         4.979         4.198         0.781
RESID 148 (S):        C       178.074       178.074       176.280         1.794
RESID 148 (S):       CA        61.511        61.511        61.941        -0.430
RESID 148 (S):       CB        63.392        63.392        62.929         0.463
RESID 148 (S):        H         8.604         8.604         8.151         0.453
RESID 149 (K):        N       125.190       125.190       119.714         5.476
RESID 149 (K):       HA         4.022         4.022         4.092        -0.070
RESID 149 (K):        C       178.788       178.788       178.762         0.026
RESID 149 (K):       CA        58.707        58.707        59.071        -0.364
RESID 149 (K):       CB        31.465        31.465        31.821        -0.356
RESID 149 (K):        H         8.405         8.405         7.522         0.883
RESID 150 (E):        N       118.050       118.050       121.288        -3.238
RESID 150 (E):       HA         4.023         4.023         4.023         0.000
RESID 150 (E):        C       179.065       179.065       178.592         0.473
RESID 150 (E):       CA        58.880        58.880        59.255        -0.375
RESID 150 (E):       CB        29.660        29.660        29.704        -0.044
RESID 150 (E):        H         7.509         7.509         7.805        -0.296
RESID 151 (K):        N       118.439       118.439       115.997         2.442
RESID 151 (K):       HA         3.782         3.782         4.154        -0.372
RESID 151 (K):        C       178.865       178.865       178.786         0.079
RESID 151 (K):       CA        59.365        59.365        58.595         0.770
RESID 151 (K):       CB        32.923        32.923        32.830         0.093
RESID 151 (K):        H         8.296         8.296         8.131         0.165
RESID 152 (T):        N       106.470       106.470       115.882        -9.412
RESID 152 (T):       HA         4.407         4.407         3.530         0.877
RESID 152 (T):       CA        63.772        63.772        65.472        -1.700
RESID 152 (T):       CB        70.040        70.040        68.647         1.393
RESID 152 (T):        H         8.304         8.304         7.988         0.316
RESID 153 (A):        N       123.491       123.491       122.267         1.224
RESID 153 (A):       HA         4.252         4.252         4.258        -0.006
RESID 153 (A):        C       178.775       178.775       178.495         0.280
RESID 153 (A):       CA        54.906        54.906        54.392         0.514
RESID 153 (A):       CB        18.604        18.604        18.603         0.001
RESID 153 (A):        H         7.318         7.318         7.703        -0.385
RESID 154 (S):        N       108.783       108.783       111.580        -2.797
RESID 154 (S):       HA         4.569         4.569         4.484         0.085
RESID 154 (S):        C       174.926       174.926       174.755         0.171
RESID 154 (S):       CA        57.983        57.983        58.718        -0.735
RESID 154 (S):        H         7.295         7.295         7.705        -0.410
RESID 155 (Y):        N       121.552       121.552       123.218        -1.666
RESID 155 (Y):       HA         5.148         5.148         4.352         0.796
RESID 155 (Y):        C       177.850       177.850       175.910         1.940
RESID 155 (Y):       CA        54.351        54.351        57.852        -3.501
RESID 155 (Y):       CB        36.657        36.657        38.000        -1.343
RESID 155 (Y):        H         7.129         7.129         7.893        -0.764
RESID 156 (T):        N       116.123       116.123       116.288        -0.165
RESID 156 (T):       HA         4.817         4.817         4.547         0.270
RESID 156 (T):        C       175.913       175.913       175.671         0.242
RESID 156 (T):       CA        60.021        60.021        59.157         0.864
RESID 156 (T):       CB        72.051        72.051        71.355         0.696
RESID 156 (T):        H         9.749         9.749         8.127         1.622
RESID 157 (K):        N       121.193       121.193       121.580        -0.387
RESID 157 (K):       HA         3.874         3.874         4.181        -0.307
RESID 157 (K):        C       177.224       177.224       178.386        -1.162
RESID 157 (K):       CA        61.575        61.575        59.782         1.793
RESID 157 (K):       CB        31.986        31.986        32.392        -0.406
RESID 157 (K):        H         9.322         9.322         8.800         0.522
RESID 158 (E):        N       115.842       115.842       119.246        -3.404
RESID 158 (E):       HA         4.015         4.015         3.990         0.025
RESID 158 (E):        C       179.589       179.589       178.069         1.520
RESID 158 (E):       CA        59.880        59.880        59.862         0.018
RESID 158 (E):       CB        28.939        28.939        29.196        -0.257
RESID 158 (E):        H         8.414         8.414         8.120         0.294
RESID 159 (D):        N       119.833       119.833       119.887        -0.054
RESID 159 (D):       HA         4.145         4.145         4.137         0.008
RESID 159 (D):        C       177.210       177.210       178.151        -0.941
RESID 159 (D):       CA        57.273        57.273        56.748         0.525
RESID 159 (D):       CB        40.562        40.562        39.808         0.754
RESID 159 (D):        H         7.341         7.341         8.103        -0.762
RESID 160 (W):        N       117.696       117.696       120.530        -2.834
RESID 160 (W):       HA         4.227         4.227         4.264        -0.037
RESID 160 (W):        C       178.283       178.283       178.753        -0.470
RESID 160 (W):       CA        60.400        60.400        59.595         0.805
RESID 160 (W):       CB        29.643        29.643        29.414         0.229
RESID 160 (W):        H         7.892         7.892         7.454         0.438
RESID 161 (Q):        N       118.386       118.386       119.320        -0.934
RESID 161 (Q):       HA         3.841         3.841         3.825         0.016
RESID 161 (Q):        C       177.368       177.368       178.029        -0.661
RESID 161 (Q):       CA        58.701        58.701        59.442        -0.741
RESID 161 (Q):       CB        28.879        28.879        28.441         0.438
RESID 161 (Q):        H         8.665         8.665         7.935         0.730
RESID 162 (R):        N       120.270       120.270       120.008         0.262
RESID 162 (R):       HA         4.039         4.039         3.997         0.042
RESID 162 (R):        C       178.441       178.441       178.927        -0.486
RESID 162 (R):       CA        59.688        59.688        59.505         0.183
RESID 162 (R):       CB        28.707        28.707        29.939        -1.232
RESID 162 (R):        H         7.530         7.530         7.786        -0.256
RESID 163 (I):        N       119.856       119.856       120.599        -0.743
RESID 163 (I):       HA         3.272         3.272         3.720        -0.448
RESID 163 (I):        C       179.233       179.233       178.461         0.772
RESID 163 (I):       CA        65.686        65.686        63.809         1.877
RESID 163 (I):       CB        38.278        38.278        37.212         1.066
RESID 163 (I):        H         7.971         7.971         7.987        -0.016
RESID 164 (Q):        N       121.268       121.268       118.755         2.513
RESID 164 (Q):       HA         4.266         4.266         3.953         0.313
RESID 164 (Q):        C       178.794       178.794       178.670         0.124
RESID 164 (Q):       CA        58.115        58.115        58.950        -0.835
RESID 164 (Q):       CB        29.475        29.475        27.914         1.561
RESID 164 (Q):        H         8.601         8.601         8.690        -0.089
RESID 165 (D):        N       122.162       122.162       118.609         3.553
RESID 165 (D):       HA         4.428         4.428         4.322         0.106
RESID 165 (D):        C       179.896       179.896       178.446         1.450
RESID 165 (D):       CA        57.546        57.546        57.506         0.040
RESID 165 (D):       CB        39.524        39.524        40.609        -1.085
RESID 165 (D):        H         8.711         8.711         8.553         0.158
RESID 166 (E):        N       121.227       121.227       119.883         1.344
RESID 166 (E):       HA         3.956         3.956         4.102        -0.146
RESID 166 (E):        C       180.125       180.125       178.364         1.761
RESID 166 (E):       CA        59.288        59.288        59.029         0.259
RESID 166 (E):       CB        29.458        29.458        29.267         0.191
RESID 166 (E):        H         8.566         8.566         7.626         0.940
RESID 167 (A):        N       123.246       123.246       122.326         0.920
RESID 167 (A):       HA         4.255         4.255         3.895         0.360
RESID 167 (A):        C       180.675       180.675       179.752         0.923
RESID 167 (A):       CA        55.207        55.207        55.333        -0.126
RESID 167 (A):       CB        18.141        18.141        18.164        -0.023
RESID 167 (A):        H         7.929         7.929         8.044        -0.115
RESID 168 (D):        N       120.476       120.476       119.214         1.262
RESID 168 (D):       HA         4.441         4.441         4.235         0.206
RESID 168 (D):        C       178.499       178.499       178.594        -0.095
RESID 168 (D):       CA        57.433        57.433        58.168        -0.735
RESID 168 (D):       CB        40.758        40.758        40.298         0.460
RESID 168 (D):        H         8.670         8.670         8.497         0.173
RESID 169 (E):        N       120.325       120.325       120.230         0.095
RESID 169 (E):       HA         4.041         4.041         4.022         0.019
RESID 169 (E):        C       178.994       178.994       178.778         0.216
RESID 169 (E):       CA        59.375        59.375        59.088         0.287
RESID 169 (E):       CB        28.864        28.864        29.495        -0.631
RESID 169 (E):        H         8.079         8.079         7.911         0.168
RESID 170 (L):        N       120.582       120.582       118.282         2.300
RESID 170 (L):       HA         4.131         4.131         3.998         0.133
RESID 170 (L):        C       179.013       179.013       178.701         0.312
RESID 170 (L):       CA        58.045        58.045        57.782         0.263
RESID 170 (L):       CB        41.675        41.675        41.754        -0.079
RESID 170 (L):        H         7.615         7.615         8.338        -0.724
RESID 171 (T):        N       118.834       118.834       115.960         2.874
RESID 171 (T):       HA         4.036         4.036         3.870         0.166
RESID 171 (T):        C       175.899       175.899       176.859        -0.960
RESID 171 (T):       CA        68.163        68.163        66.409         1.754
RESID 171 (T):       CB        68.338        68.338        68.171         0.167
RESID 171 (T):        H         8.815         8.815         8.149         0.666
RESID 172 (R):        N       118.894       118.894       121.715        -2.821
RESID 172 (R):       HA         3.885         3.885         3.936        -0.051
RESID 172 (R):        C       179.660       179.660       178.932         0.728
RESID 172 (R):       CA        60.269        60.269        60.208         0.061
RESID 172 (R):       CB        29.990        29.990        30.061        -0.071
RESID 172 (R):        H         8.249         8.249         8.562        -0.313
RESID 173 (R):        N       120.681       120.681       118.752         1.929
RESID 173 (R):       HA         4.030         4.030         4.224        -0.194
RESID 173 (R):        C       179.645       179.645       178.884         0.761
RESID 173 (R):       CA        59.615        59.615        59.127         0.489
RESID 173 (R):       CB        30.566        30.566        29.741         0.825
RESID 173 (R):        H         7.961         7.961         7.978        -0.017
RESID 174 (F):        N       118.546       118.546       120.378        -1.832
RESID 174 (F):       HA         4.292         4.292         4.322        -0.030
RESID 174 (F):        C       178.154       178.154       178.242        -0.088
RESID 174 (F):       CA        63.590        63.590        60.771         2.819
RESID 174 (F):       CB        40.383        40.383        38.336         2.047
RESID 174 (F):        H         8.548         8.548         8.172         0.376
RESID 175 (V):        N       118.935       118.935       120.166        -1.231
RESID 175 (V):       HA         3.373         3.373         3.452        -0.079
RESID 175 (V):        C       177.099       177.099       177.854        -0.755
RESID 175 (V):       CA        67.334        67.334        67.383        -0.049
RESID 175 (V):       CB        31.745        31.745        31.574         0.171
RESID 175 (V):        H         8.770         8.770         8.883        -0.113
RESID 176 (A):        N       120.243       120.243       121.804        -1.561
RESID 176 (A):       HA         4.162         4.162         4.062         0.100
RESID 176 (A):        C       181.643       181.643       179.295         2.348
RESID 176 (A):       CA        55.105        55.105        55.208        -0.103
RESID 176 (A):       CB        17.765        17.765        18.736        -0.971
RESID 176 (A):        H         7.967         7.967         7.882         0.085
RESID 177 (L):        N       121.411       121.411       115.684         5.727
RESID 177 (L):       HA         3.938         3.938         4.324        -0.386
RESID 177 (L):        C       178.694       178.694       178.405         0.289
RESID 177 (L):       CA        58.611        58.611        57.374         1.237
RESID 177 (L):       CB        41.513        41.513        41.942        -0.429
RESID 177 (L):        H         7.634         7.634         8.130        -0.496
RESID 178 (M):        N       118.652       118.652       120.080        -1.428
RESID 178 (M):       HA         3.564         3.564         3.676        -0.112
RESID 178 (M):        C       181.569       181.569       178.102         3.467
RESID 178 (M):       CA        59.718        59.718        57.739         1.979
RESID 178 (M):       CB        33.450        33.450        31.135         2.315
RESID 178 (M):        H         7.940         7.940         8.755        -0.815
RESID 179 (D):        N       121.310       121.310       121.207         0.103
RESID 179 (D):       HA         4.371         4.371         4.321         0.050
RESID 179 (D):        C       177.730       177.730       177.638         0.092
RESID 179 (D):       CA        56.932        56.932        56.532         0.400
RESID 179 (D):       CB        39.826        39.826        40.546        -0.720
RESID 179 (D):        H         9.022         9.022         8.551         0.471
RESID 180 (A):        N       120.199       120.199       120.300        -0.101
RESID 180 (A):       HA         4.357         4.357         4.209         0.148
RESID 180 (A):        C       177.935       177.935       177.956        -0.021
RESID 180 (A):       CA        52.276        52.276        52.250         0.026
RESID 180 (A):       CB        19.028        19.028        18.715         0.313
RESID 180 (A):        H         7.667         7.667         7.636         0.031
RESID 181 (G):        N       107.115       107.115       106.304         0.811
RESID 181 (G):        C       175.650       175.650       174.440         1.210
RESID 181 (G):       CA        45.480        45.480        44.891         0.589
RESID 181 (G):        H         7.916         7.916         7.880         0.036
RESID 182 (E):        N       120.055       120.055       121.918        -1.863
RESID 182 (E):       HA         4.701         4.701         4.679         0.022
RESID 182 (E):       CA        54.158        54.158        53.467         0.691
RESID 182 (E):       CB        28.461        28.461        30.692        -2.232
RESID 182 (E):        H         7.887         7.887         7.665         0.222
RESID 183 (P):       HA         4.729         4.729         4.491         0.238
RESID 183 (P):        C       177.156       177.156       176.823         0.333
RESID 183 (P):       CA        62.595        62.595        62.875        -0.280
RESID 183 (P):       CB        33.002        33.002        32.298         0.703
RESID 184 (A):        N       124.966       124.966       123.613         1.353
RESID 184 (A):       HA         3.372         3.372         3.612        -0.240
RESID 184 (A):        C       173.383       173.383       177.553        -4.170
RESID 184 (A):       CA        54.234        54.234        54.015         0.219
RESID 184 (A):       CB        19.100        19.100        17.779         1.321
RESID 184 (A):        H         9.082         9.082         8.488         0.594
RESID 185 (D):        N       107.028       107.028       111.790        -4.762
RESID 185 (D):       HA         4.474         4.474         4.576        -0.102
RESID 185 (D):        C       176.790       176.790       175.753         1.037
RESID 185 (D):       CA        50.914        50.914        52.860        -1.946
RESID 185 (D):       CB        39.354        39.354        40.180        -0.826
RESID 185 (D):        H         7.364         7.364         8.317        -0.953
RESID 186 (S):        N       113.421       113.421       116.084        -2.663
RESID 186 (S):       HA         4.328         4.328         4.518        -0.190
RESID 186 (S):        C       174.699       174.699       175.980        -1.281
RESID 186 (S):       CA        57.769        57.769        58.556        -0.787
RESID 186 (S):       CB        65.781        65.781        65.226         0.555
RESID 186 (S):        H         7.676         7.676         7.331         0.345
RESID 187 (E):        N       121.832       121.832       121.387         0.445
RESID 187 (E):       HA         3.698         3.698         4.105        -0.407
RESID 187 (E):        C       178.242       178.242       178.790        -0.548
RESID 187 (E):       CA        60.525        60.525        59.239         1.286
RESID 187 (E):       CB        29.271        29.271        29.176         0.095
RESID 187 (E):        H         9.064         9.064         8.959         0.105
RESID 188 (G):        N       103.385       103.385       107.968        -4.583
RESID 188 (G):        C       176.865       176.865       175.704         1.161
RESID 188 (G):       CA        47.142        47.142        46.723         0.419
RESID 188 (G):        H         8.688         8.688         8.353         0.335
RESID 189 (A):        N       125.710       125.710       123.845         1.865
RESID 189 (A):       HA         4.040         4.040         4.009         0.031
RESID 189 (A):        C       179.646       179.646       179.231         0.415
RESID 189 (A):       CA        55.511        55.511        54.568         0.943
RESID 189 (A):       CB        18.211        18.211        18.641        -0.430
RESID 189 (A):        H         7.716         7.716         8.130        -0.414
RESID 190 (M):        N       117.503       117.503       117.845        -0.342
RESID 190 (M):       HA         4.060         4.060         4.197        -0.137
RESID 190 (M):        C       178.705       178.705       177.593         1.112
RESID 190 (M):       CA        60.473        60.473        57.466         3.007
RESID 190 (M):       CB        33.599        33.599        32.134         1.465
RESID 190 (M):        H         8.569         8.569         8.402         0.167
RESID 191 (D):        N       119.826       119.826       119.605         0.221
RESID 191 (D):       HA         4.276         4.276         4.371        -0.095
RESID 191 (D):        C       178.528       178.528       178.025         0.503
RESID 191 (D):       CA        57.152        57.152        56.781         0.371
RESID 191 (D):       CB        39.009        39.009        39.557        -0.548
RESID 191 (D):        H         8.820         8.820         8.138         0.682
RESID 192 (A):        N       123.880       123.880       122.276         1.604
RESID 192 (A):       HA         3.905         3.905         4.077        -0.172
RESID 192 (A):        C       179.032       179.032       179.679        -0.647
RESID 192 (A):       CA        55.448        55.448        55.012         0.436
RESID 192 (A):       CB        15.703        15.703        17.609        -1.906
RESID 192 (A):        H         7.544         7.544         7.330         0.214
RESID 193 (A):        N       120.855       120.855       120.856        -0.001
RESID 193 (A):       HA         4.358         4.358         4.076         0.282
RESID 193 (A):        C       179.427       179.427       179.822        -0.395
RESID 193 (A):       CA        55.521        55.521        55.184         0.337
RESID 193 (A):       CB        18.361        18.361        18.168         0.193
RESID 193 (A):        H         8.435         8.435         7.698         0.737
RESID 194 (E):        N       122.123       122.123       119.020         3.103
RESID 194 (E):       HA         4.375         4.375         4.062         0.313
RESID 194 (E):        C       178.565       178.565       179.191        -0.626
RESID 194 (E):       CA        58.780        58.780        60.158        -1.378
RESID 194 (E):       CB        27.301        27.301        29.241        -1.940
RESID 194 (E):        H         8.778         8.778         7.879         0.899
RESID 195 (D):        N       121.253       121.253       119.456         1.797
RESID 195 (D):       HA         4.408         4.408         4.421        -0.013
RESID 195 (D):        C       179.882       179.882       178.568         1.314
RESID 195 (D):       CA        57.421        57.421        58.001        -0.580
RESID 195 (D):       CB        39.518        39.518        40.796        -1.278
RESID 195 (D):        H         8.213         8.213         8.154         0.059
RESID 196 (H):        N       124.862       124.862       119.308         5.554
RESID 196 (H):       HA         4.172         4.172         4.305        -0.133
RESID 196 (H):        C       177.779       177.779       177.597         0.182
RESID 196 (H):       CA        61.442        61.442        59.752         1.690
RESID 196 (H):       CB        31.474        31.474        30.498         0.976
RESID 196 (H):        H         8.857         8.857         8.372         0.485
RESID 197 (R):        N       123.019       123.019       119.640         3.379
RESID 197 (R):       HA         3.001         3.001         4.372        -1.371
RESID 197 (R):        C       178.632       178.632       178.636        -0.004
RESID 197 (R):       CA        60.121        60.121        58.868         1.253
RESID 197 (R):       CB        30.529        30.529        29.393         1.136
RESID 197 (R):        H         8.371         8.371         8.432        -0.061
RESID 198 (Q):        N       114.857       114.857       120.627        -5.770
RESID 198 (Q):       HA         3.780         3.780         3.985        -0.205
RESID 198 (Q):        C       179.002       179.002       178.276         0.726
RESID 198 (Q):       CA        58.513        58.513        58.650        -0.137
RESID 198 (Q):       CB        27.753        27.753        28.166        -0.413
RESID 198 (Q):        H         8.283         8.283         8.252         0.031
RESID 199 (G):        N       109.227       109.227       106.419         2.808
RESID 199 (G):        C       175.335       175.335       175.805        -0.470
RESID 199 (G):       CA        46.966        46.966        45.889         1.077
RESID 199 (G):        H         8.177         8.177         7.706         0.471
RESID 200 (I):        N       123.036       123.036       121.777         1.259
RESID 200 (I):       HA         3.493         3.493         3.492         0.001
RESID 200 (I):        C       178.329       178.329       176.419         1.910
RESID 200 (I):       CA        64.940        64.940        63.320         1.620
RESID 200 (I):       CB        36.330        36.330        37.999        -1.669
RESID 200 (I):        H         7.474         7.474         7.262         0.212
RESID 201 (A):        N       121.122       121.122       120.813         0.309
RESID 201 (A):       HA         4.501         4.501         4.125         0.376
RESID 201 (A):        C       179.480       179.480       178.665         0.815
RESID 201 (A):       CA        53.082        53.082        54.328        -1.246
RESID 201 (A):       CB        18.054        18.054        18.762        -0.708
RESID 201 (A):        H         7.739         7.739         7.507         0.232
RESID 202 (R):        N       115.981       115.981       114.011         1.970
RESID 202 (R):       HA         3.853         3.853         4.105        -0.252
RESID 202 (R):        C       177.874       177.874       176.593         1.281
RESID 202 (R):       CA        58.391        58.391        57.391         1.000
RESID 202 (R):       CB        31.163        31.163        30.062         1.101
RESID 202 (R):        H         7.968         7.968         7.721         0.247
RESID 203 (N):        N       111.860       111.860       115.817        -3.957
RESID 203 (N):       HA         4.362         4.362         4.784        -0.422
RESID 203 (N):        C       175.317       175.317       175.476        -0.159
RESID 203 (N):       CA        53.644        53.644        53.936        -0.292
RESID 203 (N):       CB        40.307        40.307        39.831         0.476
RESID 203 (N):        H         7.591         7.591         7.417         0.174
RESID 204 (H):        N       118.469       118.469       114.914         3.555
RESID 204 (H):       HA         4.670         4.670         4.826        -0.156
RESID 204 (H):        C       172.483       172.483       173.351        -0.868
RESID 204 (H):       CA        59.079        59.079        56.292         2.787
RESID 204 (H):       CB        33.877        33.877        32.311         1.566
RESID 204 (H):        H         8.389         8.389         7.246         1.143
RESID 205 (Y):        N       111.831       111.831       113.846        -2.015
RESID 205 (Y):       HA         4.363         4.363         4.855        -0.492
RESID 205 (Y):        C       173.387       173.387       173.722        -0.335
RESID 205 (Y):       CA        56.400        56.400        56.055         0.345
RESID 205 (Y):       CB        39.523        39.523        39.452         0.071
RESID 205 (Y):        H         7.240         7.240         7.298        -0.058
RESID 206 (D):        N       117.047       117.047       122.113        -5.066
RESID 206 (D):       HA         4.033         4.033         4.615        -0.582
RESID 206 (D):        C       175.864       175.864       175.687         0.177
RESID 206 (D):       CA        56.391        56.391        55.739         0.652
RESID 206 (D):       CB        40.166        40.166        40.504        -0.338
RESID 206 (D):        H         8.304         8.304         8.893        -0.589
RESID 207 (C):        N       125.983       125.983       124.160         1.823
RESID 207 (C):       HA         4.694         4.694         4.737        -0.043
RESID 207 (C):        C       172.708       172.708       175.325        -2.617
RESID 207 (C):       CA        57.910        57.910        57.273         0.637
RESID 207 (C):       CB        26.861        26.861        28.939        -2.078
RESID 207 (C):        H         7.581         7.581         8.001        -0.420
RESID 208 (G):        N       113.288       113.288       114.421        -1.133
RESID 208 (G):        C       173.509       173.509       174.077        -0.568
RESID 208 (G):       CA        44.579        44.579        45.124        -0.545
RESID 208 (G):        H         8.359         8.359         8.418        -0.059
RESID 209 (Y):        N       116.731       116.731       118.311        -1.580
RESID 209 (Y):       HA         3.965         3.965         4.582        -0.617
RESID 209 (Y):        C       177.981       177.981       176.927         1.054
RESID 209 (Y):       CA        64.964        64.964        55.949         9.015
RESID 209 (Y):       CB        38.046        38.046        38.036         0.010
RESID 209 (Y):        H         8.283         8.283         7.989         0.294
RESID 210 (E):        N       119.927       119.927       122.186        -2.259
RESID 210 (E):       HA         4.089         4.089         3.958         0.131
RESID 210 (E):        C       178.511       178.511       178.756        -0.245
RESID 210 (E):       CA        60.166        60.166        59.642         0.524
RESID 210 (E):       CB        28.747        28.747        29.762        -1.015
RESID 210 (E):        H         8.870         8.870         8.150         0.720
RESID 211 (M):        N       120.242       120.242       116.873         3.369
RESID 211 (M):       HA         3.914         3.914         4.085        -0.171
RESID 211 (M):       CA        57.257        57.257        57.739        -0.482
RESID 211 (M):       CB        31.938        31.938        31.572         0.366
RESID 211 (M):        H         8.047         8.047         7.665         0.382
RESID 212 (H):        N       120.018       120.018       118.623         1.395
RESID 212 (H):       HA         3.977         3.977         3.986        -0.009
RESID 212 (H):        C       178.034       178.034       177.438         0.596
RESID 212 (H):       CA        59.099        59.099        59.032         0.067
RESID 212 (H):       CB        33.381        33.381        29.525         3.856
RESID 212 (H):        H         8.647         8.647         8.368         0.279
RESID 213 (T):        N       107.780       107.780       113.497        -5.717
RESID 213 (T):       HA         3.775         3.775         3.935        -0.160
RESID 213 (T):        C       176.569       176.569       176.416         0.153
RESID 213 (T):       CA        65.841        65.841        66.640        -0.799
RESID 213 (T):       CB        68.584        68.584        68.976        -0.392
RESID 213 (T):        H         8.140         8.140         7.749         0.391
RESID 214 (C):        N       120.727       120.727       120.643         0.084
RESID 214 (C):       HA         4.039         4.039         4.155        -0.116
RESID 214 (C):       CA        63.078        63.078        63.220        -0.142
RESID 214 (C):        H         7.337         7.337         7.895        -0.558
RESID 215 (L):        N       121.760       121.760       121.267         0.493
RESID 215 (L):       HA         3.406         3.406         3.916        -0.510
RESID 215 (L):        C       176.549       176.549       178.419        -1.870
RESID 215 (L):       CA        57.581        57.581        57.760        -0.179
RESID 215 (L):       CB        40.459        40.459        40.815        -0.356
RESID 215 (L):        H         7.696         7.696         8.546        -0.850
RESID 216 (G):        N       101.717       101.717       106.553        -4.836
RESID 216 (G):        C       174.717       174.717       176.189        -1.472
RESID 216 (G):       CA        47.445        47.445        47.242         0.203
RESID 216 (G):        H         7.849         7.849         8.079        -0.230
RESID 217 (E):        N       115.126       115.126       120.569        -5.443
RESID 217 (E):       HA         4.021         4.021         4.214        -0.193
RESID 217 (E):        C       179.892       179.892       178.529         1.363
RESID 217 (E):       CA        58.378        58.378        58.518        -0.140
RESID 217 (E):       CB        28.933        28.933        29.528        -0.595
RESID 217 (E):        H         7.572         7.572         7.698        -0.126
RESID 218 (M):        N       123.032       123.032       117.122         5.910
RESID 218 (M):       HA         3.993         3.993         4.362        -0.369
RESID 218 (M):        C       177.036       177.036       178.243        -1.207
RESID 218 (M):       CA        58.596        58.596        57.933         0.663
RESID 218 (M):       CB        32.582        32.582        33.580        -0.998
RESID 218 (M):        H         7.495         7.495         7.675        -0.180
RESID 219 (Y):        N       115.483       115.483       117.943        -2.460
RESID 219 (Y):       HA         4.174         4.174         4.388        -0.214
RESID 219 (Y):        C       176.350       176.350       176.457        -0.107
RESID 219 (Y):       CA        56.530        56.530        56.650        -0.120
RESID 219 (Y):       CB        35.854        35.854        36.812        -0.958
RESID 219 (Y):        H         7.521         7.521         8.684        -1.163
RESID 220 (V):        N       109.054       109.054       114.146        -5.092
RESID 220 (V):       HA         4.022         4.022         4.134        -0.112
RESID 220 (V):        C       176.266       176.266       176.509        -0.243
RESID 220 (V):       CA        62.095        62.095        63.540        -1.445
RESID 220 (V):       CB        32.980        32.980        31.249         1.731
RESID 220 (V):        H         6.817         6.817         7.630        -0.813
RESID 221 (S):        N       115.276       115.276       115.690        -0.414
RESID 221 (S):       HA         4.368         4.368         4.466        -0.098
RESID 221 (S):        C       174.071       174.071       174.986        -0.915
RESID 221 (S):       CA        59.950        59.950        60.906        -0.956
RESID 221 (S):       CB        63.608        63.608        64.065        -0.457
RESID 221 (S):        H         8.278         8.278         7.384         0.894
RESID 222 (D):        N       122.686       122.686       123.300        -0.614
RESID 222 (D):       HA         4.962         4.962         4.901         0.061
RESID 222 (D):        C       176.246       176.246       175.929         0.317
RESID 222 (D):       CA        52.489        52.489        53.814        -1.325
RESID 222 (D):       CB        41.604        41.604        40.154         1.450
RESID 222 (D):        H         8.238         8.238         7.924         0.314
RESID 223 (E):        N       124.836       124.836       122.273         2.563
RESID 223 (E):       HA         4.306         4.306         3.877         0.429
RESID 223 (E):        C       177.201       177.201       177.765        -0.564
RESID 223 (E):       CA        58.566        58.566        59.495        -0.929
RESID 223 (E):       CB        29.326        29.326        29.280         0.046
RESID 223 (E):        H         8.932         8.932         7.821         1.111
RESID 224 (R):        N       117.537       117.537       120.233        -2.696
RESID 224 (R):       HA         4.102         4.102         4.085         0.017
RESID 224 (R):        C       181.161       181.161       177.894         3.267
RESID 224 (R):       CA        58.642        58.642        58.540         0.102
RESID 224 (R):       CB        30.996        30.996        29.332         1.664
RESID 224 (R):        H         8.429         8.429         8.081         0.348
RESID 225 (F):        N       116.733       116.733       117.775        -1.042
RESID 225 (F):       HA         4.149         4.149         4.745        -0.596
RESID 225 (F):        C       177.880       177.880       178.204        -0.324
RESID 225 (F):       CA        60.916        60.916        61.545        -0.629
RESID 225 (F):       CB        39.728        39.728        39.022         0.706
RESID 225 (F):        H         7.830         7.830         8.813        -0.983
RESID 226 (T):        N       116.162       116.162       115.457         0.705
RESID 226 (T):       HA         3.637         3.637         3.835        -0.198
RESID 226 (T):        C       176.142       176.142       176.215        -0.073
RESID 226 (T):       CA        67.025        67.025        66.967         0.058
RESID 226 (T):       CB        68.865        68.865        68.163         0.702
RESID 226 (T):        H         8.182         8.182         7.832         0.350
RESID 227 (R):        N       115.469       115.469       120.622        -5.153
RESID 227 (R):       HA         3.984         3.984         4.419        -0.435
RESID 227 (R):        C       178.758       178.758       177.790         0.968
RESID 227 (R):       CA        59.109        59.109        59.679        -0.570
RESID 227 (R):       CB        30.331        30.331        30.412        -0.081
RESID 227 (R):        H         8.388         8.388         8.050         0.338
RESID 228 (N):        N       116.518       116.518       116.526        -0.008
RESID 228 (N):       HA         4.637         4.637         4.625         0.012
RESID 228 (N):        C       177.791       177.791       176.664         1.127
RESID 228 (N):       CA        55.214        55.214        55.556        -0.342
RESID 228 (N):       CB        38.118        38.118        37.786         0.332
RESID 228 (N):        H         6.883         6.883         7.651        -0.768
RESID 229 (I):        N       122.529       122.529       120.592         1.937
RESID 229 (I):       HA         3.824         3.824         3.919        -0.095
RESID 229 (I):        C       178.564       178.564       177.622         0.942
RESID 229 (I):       CA        65.206        65.206        64.562         0.644
RESID 229 (I):       CB        39.514        39.514        38.417         1.097
RESID 229 (I):        H         8.636         8.636         7.910         0.726
RESID 230 (D):        N       118.458       118.458       119.957        -1.499
RESID 230 (D):       HA         4.686         4.686         4.561         0.125
RESID 230 (D):        C       177.491       177.491       178.051        -0.560
RESID 230 (D):       CA        55.594        55.594        55.888        -0.294
RESID 230 (D):       CB        38.864        38.864        39.826        -0.962
RESID 230 (D):        H         8.866         8.866         8.712         0.154
RESID 231 (A):        N       123.132       123.132       122.315         0.817
RESID 231 (A):       HA         4.053         4.053         4.077        -0.024
RESID 231 (A):        C       179.554       179.554       178.500         1.054
RESID 231 (A):       CA        54.925        54.925        54.558         0.367
RESID 231 (A):       CB        18.199        18.199        17.919         0.280
RESID 231 (A):        H         7.074         7.074         7.795        -0.721
RESID 232 (A):        N       116.232       116.232       118.718        -2.486
RESID 232 (A):       HA         4.203         4.203         4.267        -0.064
RESID 232 (A):        C       178.208       178.208       177.243         0.965
RESID 232 (A):       CA        53.686        53.686        52.638         1.048
RESID 232 (A):       CB        19.446        19.446        20.100        -0.654
RESID 232 (A):        H         7.505         7.505         7.683        -0.178
RESID 233 (K):        N       116.503       116.503       118.938        -2.435
RESID 233 (K):       HA         4.464         4.464         4.620        -0.156
RESID 233 (K):       CA        54.363        54.363        53.462         0.902
RESID 233 (K):       CB        34.836        34.836        35.093        -0.257
RESID 233 (K):        H         6.678         6.678         8.033        -1.355
RESID 234 (P):       HA         4.277         4.277         4.429        -0.152
RESID 234 (P):        C       177.398       177.398       177.278         0.120
RESID 234 (P):       CA        64.067        64.067        63.494         0.573
RESID 234 (P):       CB        31.749        31.749        31.349         0.400
RESID 235 (G):        N       112.543       112.543       112.163         0.380
RESID 235 (G):        C       174.848       174.848       173.457         1.391
RESID 235 (G):       CA        45.098        45.098        45.173        -0.075
RESID 235 (G):        H         8.705         8.705         8.589         0.116
RESID 236 (L):        N       126.659       126.659       119.623         7.036
RESID 236 (L):       HA         4.270         4.270         4.662        -0.392
RESID 236 (L):        C       177.242       177.242       176.506         0.736
RESID 236 (L):       CA        57.890        57.890        56.990         0.900
RESID 236 (L):       CB        41.658        41.658        42.234        -0.576
RESID 236 (L):        H         7.919         7.919         7.934        -0.015
RESID 237 (A):        N       126.005       126.005       122.769         3.236
RESID 237 (A):       HA         3.745         3.745         3.952        -0.207
RESID 237 (A):        C       179.077       179.077       178.965         0.112
RESID 237 (A):       CA        56.464        56.464        55.163         1.301
RESID 237 (A):       CB        17.932        17.932        17.581         0.351
RESID 237 (A):        H        10.901        10.901         8.553         2.348
RESID 238 (A):        N       118.189       118.189       120.753        -2.564
RESID 238 (A):       HA         3.764         3.764         4.152        -0.388
RESID 238 (A):        C       178.967       178.967       178.885         0.082
RESID 238 (A):       CA        54.549        54.549        54.471         0.078
RESID 238 (A):       CB        17.675        17.675        18.355        -0.680
RESID 238 (A):        H         8.168         8.168         8.585        -0.417
RESID 239 (Y):        N       121.259       121.259       120.015         1.244
RESID 239 (Y):       HA         4.073         4.073         4.143        -0.070
RESID 239 (Y):        C       177.802       177.802       177.832        -0.030
RESID 239 (Y):       CA        62.144        62.144        61.465         0.679
RESID 239 (Y):       CB        39.874        39.874        38.396         1.478
RESID 239 (Y):        H         7.940         7.940         8.292        -0.352
RESID 240 (M):        N       116.383       116.383       118.551        -2.168
RESID 240 (M):       HA         3.300         3.300         4.093        -0.793
RESID 240 (M):        C       177.926       177.926       178.122        -0.196
RESID 240 (M):       CA        60.325        60.325        60.272         0.053
RESID 240 (M):       CB        33.236        33.236        32.538         0.699
RESID 240 (M):        H         9.169         9.169         8.923         0.246
RESID 241 (R):        N       118.201       118.201       120.865        -2.664
RESID 241 (R):       HA         3.397         3.397         3.999        -0.602
RESID 241 (R):        C       178.188       178.188       178.545        -0.357
RESID 241 (R):       CA        60.728        60.728        59.778         0.950
RESID 241 (R):       CB        28.104        28.104        29.810        -1.706
RESID 241 (R):        H         8.479         8.479         8.092         0.387
RESID 242 (D):        N       119.314       119.314       119.003         0.311
RESID 242 (D):       HA         4.165         4.165         4.406        -0.241
RESID 242 (D):        C       178.707       178.707       178.465         0.242
RESID 242 (D):       CA        57.489        57.489        57.407         0.082
RESID 242 (D):       CB        39.827        39.827        40.202        -0.375
RESID 242 (D):        H         8.016         8.016         8.286        -0.270
RESID 243 (A):        N       127.195       127.195       123.573         3.622
RESID 243 (A):       HA         4.399         4.399         4.395         0.004
RESID 243 (A):        C       179.891       179.891       179.491         0.400
RESID 243 (A):       CA        54.946        54.946        54.448         0.498
RESID 243 (A):       CB        19.100        19.100        18.684         0.416
RESID 243 (A):        H         8.620         8.620         7.703         0.917
RESID 244 (I):        N       120.697       120.697       119.851         0.846
RESID 244 (I):       HA         3.540         3.540         3.380         0.160
RESID 244 (I):        C       179.591       179.591       177.214         2.377
RESID 244 (I):       CA        65.737        65.737        64.373         1.364
RESID 244 (I):       CB        37.579        37.579        37.988        -0.409
RESID 244 (I):        H         8.871         8.871         8.502         0.369
RESID 245 (L):        N       121.753       121.753       120.204         1.549
RESID 245 (L):       HA         3.987         3.987         3.844         0.143
RESID 245 (L):        C       179.065       179.065       178.364         0.701
RESID 245 (L):       CA        58.462        58.462        57.613         0.849
RESID 245 (L):       CB        41.173        41.173        41.825        -0.652
RESID 245 (L):        H         8.311         8.311         8.083         0.228
RESID 246 (A):        N       121.174       121.174       120.348         0.826
RESID 246 (A):       HA         4.081         4.081         3.835         0.246
RESID 246 (A):        C       180.864       180.864       179.244         1.620
RESID 246 (A):       CA        55.306        55.306        55.230         0.076
RESID 246 (A):       CB        16.939        16.939        17.806        -0.867
RESID 246 (A):        H         8.100         8.100         7.729         0.371
RESID 247 (N):        N       117.391       117.391       117.746        -0.355
RESID 247 (N):       HA         4.582         4.582         4.424         0.158
RESID 247 (N):        C       177.205       177.205       177.127         0.078
RESID 247 (N):       CA        56.362        56.362        56.001         0.361
RESID 247 (N):       CB        40.264        40.264        38.209         2.055
RESID 247 (N):        H         8.948         8.948         7.624         1.324
RESID 248 (A):        N       124.544       124.544       121.233         3.311
RESID 248 (A):       HA         3.917         3.917         3.897         0.020
RESID 248 (A):        C       180.931       180.931       179.668         1.263
RESID 248 (A):       CA        55.851        55.851        54.668         1.183
RESID 248 (A):       CB        17.991        17.991        18.603        -0.612
RESID 248 (A):        H         8.432         8.432         7.600         0.832
RESID 249 (V):        N       120.469       120.469       117.579         2.890
RESID 249 (V):       HA         3.575         3.575         3.672        -0.097
RESID 249 (V):        C       179.608       179.608       177.013         2.595
RESID 249 (V):       CA        66.636        66.636        65.334         1.302
RESID 249 (V):       CB        31.449        31.449        31.855        -0.406
RESID 249 (V):        H         8.214         8.214         7.700         0.514
RESID 250 (R):        N       116.667       116.667       115.887         0.780
RESID 250 (R):       HA         4.269         4.269         4.095         0.174
RESID 250 (R):        C       176.251       176.251       177.221        -0.970
RESID 250 (R):       CA        57.938        57.938        57.253         0.685
RESID 250 (R):       CB        28.897        28.897        30.052        -1.155
RESID 250 (R):        H         7.583         7.583         7.584        -0.001
RESID 251 (H):        N       115.928       115.928       117.367        -1.439
RESID 251 (H):       HA         4.472         4.472         4.469         0.003
RESID 251 (H):        C       173.245       173.245       175.446        -2.201
RESID 251 (H):       CA        56.667        56.667        57.259        -0.592
RESID 251 (H):       CB        28.543        28.543        29.400        -0.857
RESID 251 (H):        H         7.163         7.163         7.908        -0.745
RESID 252 (T):        N       118.280       118.280       116.482         1.798
RESID 252 (T):       HA         4.517         4.517         4.157         0.360
RESID 252 (T):       CA        60.673        60.673        61.500        -0.827
RESID 252 (T):       CB        70.034        70.034        69.263         0.771
RESID 252 (T):        H         7.449         7.449         7.062         0.387

                         N          HA           C          CA          CB           H
RESID 113 (N):      -2.425      -0.113       0.506      -0.013      -1.077       0.041
RESID 114 (L):      -0.873       0.240       0.649      -0.429       0.866      -0.234
RESID 115 (T):      -2.573      -0.082       -----       2.994      -2.418       0.831
RESID 116 (P):       -----       0.006       1.046       0.761      -0.154       -----
RESID 117 (E):       0.530      -0.172       0.912       1.554      -0.761       0.909
RESID 118 (E):       1.285      -0.181      -0.367       0.526       2.153      -0.363
RESID 119 (K):      -2.861      -0.294      -0.865       1.303       0.773       0.697
RESID 120 (F):       0.862       0.317       -----      -0.745       0.293       0.035
RESID 121 (E):       0.938      -0.378       0.017       0.644       0.344      -0.069
RESID 122 (V):      -4.741       0.128       0.666       0.082       0.591       0.261
RESID 123 (F):       1.076       0.427       1.274      -1.604      -0.083       0.539
RESID 124 (G):       5.253       -----       0.029       0.596       -----       0.079
RESID 125 (D):       5.053      -0.069       1.723       1.019      -0.459       0.306
RESID 126 (F):       1.388      -0.506       0.360       2.080      -0.548      -0.114
RESID 127 (D):      -0.054       0.421       -----      -0.746       0.259       0.246
RESID 128 (P):       -----       0.077       1.077      -1.150       0.600       -----
RESID 129 (D):      -0.036       0.120       0.190      -0.873      -0.484      -0.565
RESID 130 (Q):      -0.124      -0.167      -2.522      -1.527      -0.784      -1.207
RESID 131 (Y):      -2.667       0.267      -2.931       1.589       2.737      -0.415
RESID 132 (E):      -2.405      -0.015      -0.342      -0.122       0.566      -1.624
RESID 133 (E):       2.261      -0.126      -0.653       0.744      -0.918       0.940
RESID 134 (E):       2.074      -0.138      -1.101      -0.045      -1.184       0.566
RESID 135 (V):       2.764      -0.146       0.339       0.236       0.223       0.051
RESID 136 (R):      -3.278      -0.770       1.084      -0.721      -0.241      -0.006
RESID 137 (E):       3.154      -0.414      -0.132       0.875      -0.034       0.974
RESID 138 (R):      -2.781      -0.367       1.270       0.535       0.344       0.693
RESID 139 (W):      -3.342       0.150      -0.582      -1.120      -1.992      -0.128
RESID 140 (G):      -0.294       -----      -1.004      -0.384       -----      -0.436
RESID 141 (N):       3.537       0.296       1.693      -0.413      -0.551       0.470
RESID 142 (T):      -4.930       0.166       0.569      -0.249       2.197       0.220
RESID 143 (D):      -4.973       0.308       0.819      -0.817      -0.144       0.184
RESID 144 (A):       1.319       0.945       1.052       0.353       0.032       0.653
RESID 145 (Y):      -1.681       0.051      -0.014       3.164       1.974       0.807
RESID 146 (R):       1.310       0.303       0.136       0.714       0.345      -0.082
RESID 147 (Q):       0.604      -0.230       1.020       0.964       0.961       0.910
RESID 148 (S):      -1.004       0.781       1.794      -0.430       0.463       0.453
RESID 149 (K):       5.476      -0.070       0.026      -0.364      -0.356       0.883
RESID 150 (E):      -3.238       0.000       0.473      -0.375      -0.044      -0.296
RESID 151 (K):       2.442      -0.372       0.079       0.770       0.093       0.165
RESID 152 (T):      -9.412       0.877       -----      -1.700       1.393       0.316
RESID 153 (A):       1.224      -0.006       0.280       0.514       0.001      -0.385
RESID 154 (S):      -2.797       0.085       0.171      -0.735       -----      -0.410
RESID 155 (Y):      -1.666       0.796       1.940      -3.501      -1.343      -0.764
RESID 156 (T):      -0.165       0.270       0.242       0.864       0.696       1.622
RESID 157 (K):      -0.387      -0.307      -1.162       1.793      -0.406       0.522
RESID 158 (E):      -3.404       0.025       1.520       0.018      -0.257       0.294
RESID 159 (D):      -0.054       0.008      -0.941       0.525       0.754      -0.762
RESID 160 (W):      -2.834      -0.037      -0.470       0.805       0.229       0.438
RESID 161 (Q):      -0.934       0.016      -0.661      -0.741       0.438       0.730
RESID 162 (R):       0.262       0.042      -0.486       0.183      -1.232      -0.256
RESID 163 (I):      -0.743      -0.448       0.772       1.877       1.066      -0.016
RESID 164 (Q):       2.513       0.313       0.124      -0.835       1.561      -0.089
RESID 165 (D):       3.553       0.106       1.450       0.040      -1.085       0.158
RESID 166 (E):       1.344      -0.146       1.761       0.259       0.191       0.940
RESID 167 (A):       0.920       0.360       0.923      -0.126      -0.023      -0.115
RESID 168 (D):       1.262       0.206      -0.095      -0.735       0.460       0.173
RESID 169 (E):       0.095       0.019       0.216       0.287      -0.631       0.168
RESID 170 (L):       2.300       0.133       0.312       0.263      -0.079      -0.724
RESID 171 (T):       2.874       0.166      -0.960       1.754       0.167       0.666
RESID 172 (R):      -2.821      -0.051       0.728       0.061      -0.071      -0.313
RESID 173 (R):       1.929      -0.194       0.761       0.489       0.825      -0.017
RESID 174 (F):      -1.832      -0.030      -0.088       2.819       2.047       0.376
RESID 175 (V):      -1.231      -0.079      -0.755      -0.049       0.171      -0.113
RESID 176 (A):      -1.561       0.100       2.348      -0.103      -0.971       0.085
RESID 177 (L):       5.727      -0.386       0.289       1.237      -0.429      -0.496
RESID 178 (M):      -1.428      -0.112       3.467       1.979       2.315      -0.815
RESID 179 (D):       0.103       0.050       0.092       0.400      -0.720       0.471
RESID 180 (A):      -0.101       0.148      -0.021       0.026       0.313       0.031
RESID 181 (G):       0.811       -----       1.210       0.589       -----       0.036
RESID 182 (E):      -1.863       0.022       -----       0.691      -2.232       0.222
RESID 183 (P):       -----       0.238       0.333      -0.280       0.703       -----
RESID 184 (A):       1.353      -0.240      -4.170       0.219       1.321       0.594
RESID 185 (D):      -4.762      -0.102       1.037      -1.946      -0.826      -0.953
RESID 186 (S):      -2.663      -0.190      -1.281      -0.787       0.555       0.345
RESID 187 (E):       0.445      -0.407      -0.548       1.286       0.095       0.105
RESID 188 (G):      -4.583       -----       1.161       0.419       -----       0.335
RESID 189 (A):       1.865       0.031       0.415       0.943      -0.430      -0.414
RESID 190 (M):      -0.342      -0.137       1.112       3.007       1.465       0.167
RESID 191 (D):       0.221      -0.095       0.503       0.371      -0.548       0.682
RESID 192 (A):       1.604      -0.172      -0.647       0.436      -1.906       0.214
RESID 193 (A):      -0.001       0.282      -0.395       0.337       0.193       0.737
RESID 194 (E):       3.103       0.313      -0.626      -1.378      -1.940       0.899
RESID 195 (D):       1.797      -0.013       1.314      -0.580      -1.278       0.059
RESID 196 (H):       5.554      -0.133       0.182       1.690       0.976       0.485
RESID 197 (R):       3.379      -1.371      -0.004       1.253       1.136      -0.061
RESID 198 (Q):      -5.770      -0.205       0.726      -0.137      -0.413       0.031
RESID 199 (G):       2.808       -----      -0.470       1.077       -----       0.471
RESID 200 (I):       1.259       0.001       1.910       1.620      -1.669       0.212
RESID 201 (A):       0.309       0.376       0.815      -1.246      -0.708       0.232
RESID 202 (R):       1.970      -0.252       1.281       1.000       1.101       0.247
RESID 203 (N):      -3.957      -0.422      -0.159      -0.292       0.476       0.174
RESID 204 (H):       3.555      -0.156      -0.868       2.787       1.566       1.143
RESID 205 (Y):      -2.015      -0.492      -0.335       0.345       0.071      -0.058
RESID 206 (D):      -5.066      -0.582       0.177       0.652      -0.338      -0.589
RESID 207 (C):       1.823      -0.043      -2.617       0.637      -2.078      -0.420
RESID 208 (G):      -1.133       -----      -0.568      -0.545       -----      -0.059
RESID 209 (Y):      -1.580      -0.617       1.054       9.015       0.010       0.294
RESID 210 (E):      -2.259       0.131      -0.245       0.524      -1.015       0.720
RESID 211 (M):       3.369      -0.171       -----      -0.482       0.366       0.382
RESID 212 (H):       1.395      -0.009       0.596       0.067       3.856       0.279
RESID 213 (T):      -5.717      -0.160       0.153      -0.799      -0.392       0.391
RESID 214 (C):       0.084      -0.116       -----      -0.142       -----      -0.558
RESID 215 (L):       0.493      -0.510      -1.870      -0.179      -0.356      -0.850
RESID 216 (G):      -4.836       -----      -1.472       0.203       -----      -0.230
RESID 217 (E):      -5.443      -0.193       1.363      -0.140      -0.595      -0.126
RESID 218 (M):       5.910      -0.369      -1.207       0.663      -0.998      -0.180
RESID 219 (Y):      -2.460      -0.214      -0.107      -0.120      -0.958      -1.163
RESID 220 (V):      -5.092      -0.112      -0.243      -1.445       1.731      -0.813
RESID 221 (S):      -0.414      -0.098      -0.915      -0.956      -0.457       0.894
RESID 222 (D):      -0.614       0.061       0.317      -1.325       1.450       0.314
RESID 223 (E):       2.563       0.429      -0.564      -0.929       0.046       1.111
RESID 224 (R):      -2.696       0.017       3.267       0.102       1.664       0.348
RESID 225 (F):      -1.042      -0.596      -0.324      -0.629       0.706      -0.983
RESID 226 (T):       0.705      -0.198      -0.073       0.058       0.702       0.350
RESID 227 (R):      -5.153      -0.435       0.968      -0.570      -0.081       0.338
RESID 228 (N):      -0.008       0.012       1.127      -0.342       0.332      -0.768
RESID 229 (I):       1.937      -0.095       0.942       0.644       1.097       0.726
RESID 230 (D):      -1.499       0.125      -0.560      -0.294      -0.962       0.154
RESID 231 (A):       0.817      -0.024       1.054       0.367       0.280      -0.721
RESID 232 (A):      -2.486      -0.064       0.965       1.048      -0.654      -0.178
RESID 233 (K):      -2.435      -0.156       -----       0.902      -0.257      -1.355
RESID 234 (P):       -----      -0.152       0.120       0.573       0.400       -----
RESID 235 (G):       0.380       -----       1.391      -0.075       -----       0.116
RESID 236 (L):       7.036      -0.392       0.736       0.900      -0.576      -0.015
RESID 237 (A):       3.236      -0.207       0.112       1.301       0.351       2.348
RESID 238 (A):      -2.564      -0.388       0.082       0.078      -0.680      -0.417
RESID 239 (Y):       1.244      -0.070      -0.030       0.679       1.478      -0.352
RESID 240 (M):      -2.168      -0.793      -0.196       0.053       0.699       0.246
RESID 241 (R):      -2.664      -0.602      -0.357       0.950      -1.706       0.387
RESID 242 (D):       0.311      -0.241       0.242       0.082      -0.375      -0.270
RESID 243 (A):       3.622       0.004       0.400       0.498       0.416       0.917
RESID 244 (I):       0.846       0.160       2.377       1.364      -0.409       0.369
RESID 245 (L):       1.549       0.143       0.701       0.849      -0.652       0.228
RESID 246 (A):       0.826       0.246       1.620       0.076      -0.867       0.371
RESID 247 (N):      -0.355       0.158       0.078       0.361       2.055       1.324
RESID 248 (A):       3.311       0.020       1.263       1.183      -0.612       0.832
RESID 249 (V):       2.890      -0.097       2.595       1.302      -0.406       0.514
RESID 250 (R):       0.780       0.174      -0.970       0.685      -1.155      -0.001
RESID 251 (H):      -1.439       0.003      -2.201      -0.592      -0.857      -0.745
RESID 252 (T):       1.798       0.360       -----      -0.827       0.771       0.387

DATA CS_STAT_INFO  N  RMS:   2.818 ppm Count: 137 Average Difference:  0.141 +/- 2.824 ppm
DATA CS_STAT_INFO  HA RMS:   0.330 ppm Count: 149 Average Difference:  0.046 +/- 0.328 ppm
DATA CS_STAT_INFO  C  RMS:   1.149 ppm Count: 132 Average Difference: -0.248 +/- 1.126 ppm
DATA CS_STAT_INFO  CA RMS:   1.295 ppm Count: 141 Average Difference: -0.321 +/- 1.259 ppm
DATA CS_STAT_INFO  CB RMS:   1.054 ppm Count: 131 Average Difference: -0.064 +/- 1.057 ppm
DATA CS_STAT_INFO  HN RMS:   0.608 ppm Count: 137 Average Difference: -0.134 +/- 0.595 ppm


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

                   Atom      Original     Corrected        SPARTA    Difference
RESID 112 (I):        N       120.180       120.180       123.514        -3.334
RESID 112 (I):       HA         4.320         4.320         4.655        -0.335
RESID 112 (I):        C       176.436       176.436       175.318         1.118
RESID 112 (I):       CA        61.350        61.350        60.187         1.163
RESID 112 (I):       CB        38.688        38.688        38.393         0.295
RESID 112 (I):        H         8.735         8.735         8.192         0.543
RESID 113 (N):        N       125.593       125.593       127.648        -2.055
RESID 113 (N):       HA         4.915         4.915         5.011        -0.096
RESID 113 (N):        C       174.326       174.326       174.101         0.225
RESID 113 (N):       CA        52.993        52.993        53.039        -0.046
RESID 113 (N):       CB        37.402        37.402        38.308        -0.906
RESID 113 (N):        H         8.939         8.939         8.985        -0.046
RESID 114 (L):        N       120.224       120.224       122.351        -2.127
RESID 114 (L):       HA         4.943         4.943         4.823         0.120
RESID 114 (L):        C       176.954       176.954       175.865         1.089
RESID 114 (L):       CA        53.421        53.421        53.675        -0.254
RESID 114 (L):       CB        46.761        46.761        45.851         0.910
RESID 114 (L):        H         7.667         7.667         7.625         0.042
RESID 115 (T):        N       114.226       114.226       113.171         1.055
RESID 115 (T):       HA         4.661         4.661         4.785        -0.124
RESID 115 (T):       CA        60.696        60.696        58.969         1.727
RESID 115 (T):       CB        67.843        67.843        69.516        -1.673
RESID 115 (T):        H         9.357         9.357         8.182         1.175
RESID 116 (P):       HA         4.150         4.150         4.059         0.091
RESID 116 (P):        C       179.425       179.425       178.851         0.574
RESID 116 (P):       CA        66.423        66.423        65.960         0.463
RESID 116 (P):       CB        31.661        31.661        31.695        -0.034
RESID 117 (E):        N       116.894       116.894       115.914         0.980
RESID 117 (E):       HA         4.117         4.117         4.113         0.004
RESID 117 (E):        C       179.580       179.580       179.121         0.459
RESID 117 (E):       CA        60.388        60.388        59.223         1.165
RESID 117 (E):       CB        28.810        28.810        29.270        -0.460
RESID 117 (E):        H         8.731         8.731         8.872        -0.141
RESID 118 (E):        N       120.845       120.845       119.891         0.954
RESID 118 (E):       HA         4.011         4.011         4.427        -0.416
RESID 118 (E):        C       178.520       178.520       178.934        -0.414
RESID 118 (E):       CA        58.955        58.955        58.535         0.420
RESID 118 (E):       CB        31.576        31.576        29.336         2.240
RESID 118 (E):        H         7.779         7.779         7.887        -0.108
RESID 119 (K):        N       117.419       117.419       120.393        -2.974
RESID 119 (K):       HA         3.741         3.741         4.236        -0.495
RESID 119 (K):        C       178.034       178.034       179.196        -1.162
RESID 119 (K):       CA        60.446        60.446        59.789         0.657
RESID 119 (K):       CB        32.524        32.524        32.282         0.242
RESID 119 (K):        H         8.723         8.723         8.866        -0.143
RESID 120 (F):        N       117.618       117.618       119.715        -2.097
RESID 120 (F):       HA         4.662         4.662         4.362         0.300
RESID 120 (F):       CA        60.444        60.444        61.833        -1.389
RESID 120 (F):       CB        38.788        38.788        38.946        -0.158
RESID 120 (F):        H         7.819         7.819         7.909        -0.090
RESID 121 (E):        N       119.300       119.300       118.453         0.847
RESID 121 (E):       HA         3.793         3.793         4.101        -0.308
RESID 121 (E):        C       177.602       177.602       178.072        -0.470
RESID 121 (E):       CA        59.453        59.453        59.090         0.362
RESID 121 (E):       CB        29.815        29.815        30.106        -0.291
RESID 121 (E):        H         7.898         7.898         7.766         0.132
RESID 122 (V):        N       112.645       112.645       117.061        -4.416
RESID 122 (V):       HA         3.939         3.939         4.347        -0.408
RESID 122 (V):        C       177.072       177.072       175.523         1.549
RESID 122 (V):       CA        64.288        64.288        62.558         1.730
RESID 122 (V):       CB        33.050        33.050        33.335        -0.285
RESID 122 (V):        H         7.668         7.668         8.331        -0.663
RESID 123 (F):        N       116.335       116.335       118.863        -2.528
RESID 123 (F):       HA         5.020         5.020         5.208        -0.188
RESID 123 (F):        C       177.796       177.796       175.761         2.035
RESID 123 (F):       CA        56.368        56.368        56.223         0.145
RESID 123 (F):       CB        40.644        40.644        41.699        -1.054
RESID 123 (F):        H         8.632         8.632         8.770        -0.138
RESID 124 (G):        N       112.227       112.227       111.000         1.227
RESID 124 (G):        C       174.159       174.159       174.122         0.037
RESID 124 (G):       CA        46.478        46.478        46.205         0.273
RESID 124 (G):        H         7.974         7.974         7.880         0.094
RESID 125 (D):        N       124.513       124.513       115.432         9.081
RESID 125 (D):       HA         4.613         4.613         4.769        -0.156
RESID 125 (D):        C       175.890       175.890       174.767         1.123
RESID 125 (D):       CA        54.541        54.541        55.168        -0.627
RESID 125 (D):       CB        40.610        40.610        40.623        -0.013
RESID 125 (D):        H         8.650         8.650         8.468         0.182
RESID 126 (F):        N       121.949       121.949       122.325        -0.376
RESID 126 (F):       HA         4.152         4.152         4.517        -0.365
RESID 126 (F):        C       173.533       173.533       173.970        -0.437
RESID 126 (F):       CA        58.831        58.831        58.500         0.331
RESID 126 (F):       CB        39.973        39.973        39.254         0.719
RESID 126 (F):        H         7.640         7.640         7.635         0.005
RESID 127 (D):        N       125.341       125.341       128.593        -3.252
RESID 127 (D):       HA         4.908         4.908         4.710         0.198
RESID 127 (D):       CA        48.718        48.718        49.809        -1.091
RESID 127 (D):       CB        41.151        41.151        41.810        -0.659
RESID 127 (D):        H         7.764         7.764         7.950        -0.186
RESID 128 (P):       HA         3.722         3.722         4.184        -0.462
RESID 128 (P):        C       179.160       179.160       177.744         1.416
RESID 128 (P):       CA        63.531        63.531        65.067        -1.536
RESID 128 (P):       CB        32.580        32.580        32.261         0.319
RESID 129 (D):        N       117.916       117.916       119.070        -1.154
RESID 129 (D):       HA         4.352         4.352         4.372        -0.020
RESID 129 (D):        C       178.271       178.271       178.521        -0.250
RESID 129 (D):       CA        56.905        56.905        57.453        -0.548
RESID 129 (D):       CB        39.712        39.712        39.506         0.206
RESID 129 (D):        H         7.758         7.758         8.580        -0.822
RESID 130 (Q):        N       116.475       116.475       117.614        -1.139
RESID 130 (Q):       HA         3.827         3.827         3.879        -0.052
RESID 130 (Q):        C       176.033       176.033       177.829        -1.796
RESID 130 (Q):       CA        57.050        57.050        58.308        -1.258
RESID 130 (Q):       CB        27.825        27.825        27.802         0.023
RESID 130 (Q):        H         7.015         7.015         8.246        -1.231
RESID 131 (Y):        N       114.293       114.293       118.135        -3.842
RESID 131 (Y):       HA         4.716         4.716         4.349         0.367
RESID 131 (Y):        C       174.868       174.868       177.962        -3.094
RESID 131 (Y):       CA        57.346        57.346        58.358        -1.012
RESID 131 (Y):       CB        39.648        39.648        37.532         2.116
RESID 131 (Y):        H         6.769         6.769         7.093        -0.324
RESID 132 (E):        N       119.006       119.006       121.103        -2.097
RESID 132 (E):       HA         3.928         3.928         4.038        -0.110
RESID 132 (E):        C       178.378       178.378       178.530        -0.152
RESID 132 (E):       CA        60.171        60.171        59.789         0.382
RESID 132 (E):       CB        30.065        30.065        29.181         0.884
RESID 132 (E):        H         6.833         6.833         8.347        -1.514
RESID 133 (E):        N       119.319       119.319       118.613         0.706
RESID 133 (E):       HA         4.022         4.022         3.972         0.050
RESID 133 (E):        C       177.728       177.728       178.923        -1.195
RESID 133 (E):       CA        59.325        59.325        59.455        -0.130
RESID 133 (E):       CB        28.294        28.294        29.013        -0.719
RESID 133 (E):        H         8.611         8.611         7.694         0.917
RESID 134 (E):        N       122.908       122.908       120.455         2.453
RESID 134 (E):       HA         3.826         3.826         3.973        -0.147
RESID 134 (E):        C       177.780       177.780       179.233        -1.453
RESID 134 (E):       CA        59.062        59.062        58.937         0.125
RESID 134 (E):       CB        28.532        28.532        29.342        -0.810
RESID 134 (E):        H         8.094         8.094         7.687         0.407
RESID 135 (V):        N       118.079       118.079       118.532        -0.453
RESID 135 (V):       HA         3.342         3.342         3.939        -0.597
RESID 135 (V):        C       177.633       177.633       177.720        -0.087
RESID 135 (V):       CA        65.657        65.657        66.340        -0.683
RESID 135 (V):       CB        31.449        31.449        31.253         0.196
RESID 135 (V):        H         8.085         8.085         8.236        -0.151
RESID 136 (R):        N       117.865       117.865       120.248        -2.383
RESID 136 (R):       HA         3.125         3.125         3.958        -0.833
RESID 136 (R):        C       179.034       179.034       177.968         1.066
RESID 136 (R):       CA        59.253        59.253        59.628        -0.375
RESID 136 (R):       CB        29.856        29.856        30.360        -0.504
RESID 136 (R):        H         7.456         7.456         7.875        -0.419
RESID 137 (E):        N       120.727       120.727       118.388         2.339
RESID 137 (E):       HA         3.714         3.714         4.078        -0.364
RESID 137 (E):        C       178.690       178.690       178.720        -0.030
RESID 137 (E):       CA        59.274        59.274        58.619         0.655
RESID 137 (E):       CB        29.360        29.360        29.515        -0.155
RESID 137 (E):        H         8.517         8.517         7.990         0.527
RESID 138 (R):        N       115.311       115.311       118.025        -2.714
RESID 138 (R):       HA         3.567         3.567         3.776        -0.209
RESID 138 (R):        C       178.897       178.897       177.437         1.460
RESID 138 (R):       CA        58.754        58.754        58.561         0.193
RESID 138 (R):       CB        29.960        29.960        30.115        -0.155
RESID 138 (R):        H         8.090         8.090         7.906         0.184
RESID 139 (W):        N       114.241       114.241       115.875        -1.634
RESID 139 (W):       HA         5.078         5.078         4.863         0.215
RESID 139 (W):        C       177.169       177.169       177.253        -0.084
RESID 139 (W):       CA        56.174        56.174        57.841        -1.667
RESID 139 (W):       CB        28.194        28.194        30.307        -2.113
RESID 139 (W):        H         7.805         7.805         7.449         0.356
RESID 140 (G):        N       110.185       110.185       108.970         1.215
RESID 140 (G):        C       173.518       173.518       174.077        -0.559
RESID 140 (G):       CA        46.717        46.717        46.592         0.125
RESID 140 (G):        H         7.639         7.639         7.806        -0.167
RESID 141 (N):        N       116.211       116.211       114.796         1.415
RESID 141 (N):       HA         5.069         5.069         4.736         0.333
RESID 141 (N):        C       175.838       175.838       174.330         1.508
RESID 141 (N):       CA        52.249        52.249        52.903        -0.654
RESID 141 (N):       CB        38.104        38.104        38.847        -0.743
RESID 141 (N):        H         8.387         8.387         8.512        -0.125
RESID 142 (T):        N       110.347       110.347       114.696        -4.349
RESID 142 (T):       HA         4.704         4.704         4.503         0.201
RESID 142 (T):        C       175.832       175.832       174.998         0.834
RESID 142 (T):       CA        61.180        61.180        60.831         0.348
RESID 142 (T):       CB        72.857        72.857        69.930         2.928
RESID 142 (T):        H         7.907         7.907         8.032        -0.125
RESID 143 (D):        N       123.392       123.392       126.989        -3.597
RESID 143 (D):       HA         4.565         4.565         4.349         0.216
RESID 143 (D):        C       178.225       178.225       177.215         1.010
RESID 143 (D):       CA        57.387        57.387        57.173         0.214
RESID 143 (D):       CB        40.346        40.346        40.020         0.327
RESID 143 (D):        H         8.985         8.985         8.782         0.203
RESID 144 (A):        N       122.309       122.309       122.058         0.251
RESID 144 (A):       HA         3.963         3.963         3.497         0.466
RESID 144 (A):        C       179.688       179.688       178.589         1.099
RESID 144 (A):       CA        55.136        55.136        54.711         0.426
RESID 144 (A):       CB        17.566        17.566        17.361         0.205
RESID 144 (A):        H         8.476         8.476         8.068         0.408
RESID 145 (Y):        N       117.438       117.438       118.948        -1.510
RESID 145 (Y):       HA         4.283         4.283         4.205         0.078
RESID 145 (Y):        C       177.433       177.433       177.349         0.084
RESID 145 (Y):       CA        62.243        62.243        59.588         2.655
RESID 145 (Y):       CB        40.171        40.171        38.350         1.821
RESID 145 (Y):        H         8.432         8.432         7.660         0.772
RESID 146 (R):        N       119.518       119.518       118.598         0.920
RESID 146 (R):       HA         3.847         3.847         3.588         0.259
RESID 146 (R):        C       179.450       179.450       178.603         0.847
RESID 146 (R):       CA        60.242        60.242        59.710         0.532
RESID 146 (R):       CB        30.115        30.115        29.757         0.358
RESID 146 (R):        H         7.787         7.787         7.884        -0.097
RESID 147 (Q):        N       118.457       118.457       117.940         0.517
RESID 147 (Q):       HA         4.101         4.101         4.127        -0.026
RESID 147 (Q):        C       178.807       178.807       177.982         0.825
RESID 147 (Q):       CA        59.183        59.183        58.734         0.449
RESID 147 (Q):       CB        28.878        28.878        27.979         0.899
RESID 147 (Q):        H         8.960         8.960         8.036         0.924
RESID 148 (S):        N       115.758       115.758       115.996        -0.238
RESID 148 (S):       HA         4.979         4.979         4.259         0.720
RESID 148 (S):        C       178.074       178.074       176.546         1.528
RESID 148 (S):       CA        61.511        61.511        61.864        -0.353
RESID 148 (S):       CB        63.392        63.392        62.611         0.781
RESID 148 (S):        H         8.604         8.604         7.598         1.006
RESID 149 (K):        N       125.190       125.190       119.472         5.718
RESID 149 (K):       HA         4.022         4.022         3.970         0.052
RESID 149 (K):        C       178.788       178.788       179.243        -0.455
RESID 149 (K):       CA        58.707        58.707        58.427         0.280
RESID 149 (K):       CB        31.465        31.465        31.427         0.038
RESID 149 (K):        H         8.405         8.405         7.636         0.769
RESID 150 (E):        N       118.050       118.050       119.395        -1.345
RESID 150 (E):       HA         4.023         4.023         3.982         0.041
RESID 150 (E):        C       179.065       179.065       178.529         0.536
RESID 150 (E):       CA        58.880        58.880        59.231        -0.351
RESID 150 (E):       CB        29.660        29.660        29.601         0.059
RESID 150 (E):        H         7.509         7.509         7.870        -0.361
RESID 151 (K):        N       118.439       118.439       116.015         2.424
RESID 151 (K):       HA         3.782         3.782         4.038        -0.256
RESID 151 (K):        C       178.865       178.865       178.644         0.221
RESID 151 (K):       CA        59.365        59.365        58.481         0.884
RESID 151 (K):       CB        32.923        32.923        32.256         0.667
RESID 151 (K):        H         8.296         8.296         7.966         0.330
RESID 152 (T):        N       106.470       106.470       115.476        -9.006
RESID 152 (T):       HA         4.407         4.407         3.561         0.846
RESID 152 (T):       CA        63.772        63.772        65.590        -1.817
RESID 152 (T):       CB        70.040        70.040        68.816         1.224
RESID 152 (T):        H         8.304         8.304         8.156         0.148
RESID 153 (A):        N       123.491       123.491       123.192         0.299
RESID 153 (A):       HA         4.252         4.252         4.183         0.069
RESID 153 (A):        C       178.775       178.775       178.549         0.226
RESID 153 (A):       CA        54.906        54.906        54.496         0.410
RESID 153 (A):       CB        18.604        18.604        18.317         0.287
RESID 153 (A):        H         7.318         7.318         7.512        -0.194
RESID 154 (S):        N       108.783       108.783       112.405        -3.622
RESID 154 (S):       HA         4.569         4.569         4.417         0.152
RESID 154 (S):        C       174.926       174.926       174.880         0.046
RESID 154 (S):       CA        57.983        57.983        58.347        -0.364
RESID 154 (S):        H         7.295         7.295         7.652        -0.357
RESID 155 (Y):        N       121.552       121.552       120.509         1.043
RESID 155 (Y):       HA         5.148         5.148         4.376         0.772
RESID 155 (Y):        C       177.850       177.850       175.870         1.980
RESID 155 (Y):       CA        54.351        54.351        57.289        -2.938
RESID 155 (Y):       CB        36.657        36.657        38.170        -1.513
RESID 155 (Y):        H         7.129         7.129         7.691        -0.562
RESID 156 (T):        N       116.123       116.123       116.733        -0.610
RESID 156 (T):       HA         4.817         4.817         4.668         0.149
RESID 156 (T):        C       175.913       175.913       175.872         0.041
RESID 156 (T):       CA        60.021        60.021        59.245         0.776
RESID 156 (T):       CB        72.051        72.051        70.954         1.097
RESID 156 (T):        H         9.749         9.749         8.030         1.719
RESID 157 (K):        N       121.193       121.193       121.195        -0.002
RESID 157 (K):       HA         3.874         3.874         4.143        -0.269
RESID 157 (K):        C       177.224       177.224       178.459        -1.235
RESID 157 (K):       CA        61.575        61.575        60.544         1.030
RESID 157 (K):       CB        31.986        31.986        32.568        -0.582
RESID 157 (K):        H         9.322         9.322         8.767         0.555
RESID 158 (E):        N       115.842       115.842       118.497        -2.655
RESID 158 (E):       HA         4.015         4.015         3.933         0.082
RESID 158 (E):        C       179.589       179.589       178.582         1.007
RESID 158 (E):       CA        59.880        59.880        59.670         0.210
RESID 158 (E):       CB        28.939        28.939        28.489         0.450
RESID 158 (E):        H         8.414         8.414         8.767        -0.353
RESID 159 (D):        N       119.833       119.833       119.557         0.276
RESID 159 (D):       HA         4.145         4.145         4.161        -0.016
RESID 159 (D):        C       177.210       177.210       178.321        -1.111
RESID 159 (D):       CA        57.273        57.273        56.625         0.648
RESID 159 (D):       CB        40.562        40.562        39.945         0.617
RESID 159 (D):        H         7.341         7.341         8.203        -0.862
RESID 160 (W):        N       117.696       117.696       120.402        -2.706
RESID 160 (W):       HA         4.227         4.227         4.108         0.119
RESID 160 (W):        C       178.283       178.283       178.784        -0.501
RESID 160 (W):       CA        60.400        60.400        59.489         0.911
RESID 160 (W):       CB        29.643        29.643        29.253         0.390
RESID 160 (W):        H         7.892         7.892         7.610         0.282
RESID 161 (Q):        N       118.386       118.386       119.627        -1.241
RESID 161 (Q):       HA         3.841         3.841         3.969        -0.128
RESID 161 (Q):        C       177.368       177.368       178.195        -0.827
RESID 161 (Q):       CA        58.701        58.701        58.737        -0.036
RESID 161 (Q):       CB        28.879        28.879        28.115         0.764
RESID 161 (Q):        H         8.665         8.665         8.651         0.014
RESID 162 (R):        N       120.270       120.270       120.327        -0.057
RESID 162 (R):       HA         4.039         4.039         4.065        -0.026
RESID 162 (R):        C       178.441       178.441       179.145        -0.704
RESID 162 (R):       CA        59.688        59.688        58.404         1.284
RESID 162 (R):       CB        28.707        28.707        29.399        -0.692
RESID 162 (R):        H         7.530         7.530         7.786        -0.256
RESID 163 (I):        N       119.856       119.856       121.037        -1.181
RESID 163 (I):       HA         3.272         3.272         3.728        -0.456
RESID 163 (I):        C       179.233       179.233       177.996         1.237
RESID 163 (I):       CA        65.686        65.686        65.029         0.656
RESID 163 (I):       CB        38.278        38.278        38.006         0.272
RESID 163 (I):        H         7.971         7.971         7.833         0.138
RESID 164 (Q):        N       121.268       121.268       118.379         2.889
RESID 164 (Q):       HA         4.266         4.266         3.817         0.449
RESID 164 (Q):        C       178.794       178.794       178.514         0.280
RESID 164 (Q):       CA        58.115        58.115        58.878        -0.763
RESID 164 (Q):       CB        29.475        29.475        27.816         1.659
RESID 164 (Q):        H         8.601         8.601         8.737        -0.136
RESID 165 (D):        N       122.162       122.162       118.771         3.391
RESID 165 (D):       HA         4.428         4.428         4.316         0.112
RESID 165 (D):        C       179.896       179.896       178.043         1.853
RESID 165 (D):       CA        57.546        57.546        57.463         0.083
RESID 165 (D):       CB        39.524        39.524        40.853        -1.329
RESID 165 (D):        H         8.711         8.711         8.347         0.364
RESID 166 (E):        N       121.227       121.227       120.083         1.144
RESID 166 (E):       HA         3.956         3.956         3.983        -0.027
RESID 166 (E):        C       180.125       180.125       178.368         1.757
RESID 166 (E):       CA        59.288        59.288        59.301        -0.013
RESID 166 (E):       CB        29.458        29.458        29.534        -0.076
RESID 166 (E):        H         8.566         8.566         8.032         0.534
RESID 167 (A):        N       123.246       123.246       121.591         1.655
RESID 167 (A):       HA         4.255         4.255         3.819         0.436
RESID 167 (A):        C       180.675       180.675       179.127         1.548
RESID 167 (A):       CA        55.207        55.207        55.599        -0.392
RESID 167 (A):       CB        18.141        18.141        17.989         0.152
RESID 167 (A):        H         7.929         7.929         7.830         0.099
RESID 168 (D):        N       120.476       120.476       119.502         0.974
RESID 168 (D):       HA         4.441         4.441         4.157         0.284
RESID 168 (D):        C       178.499       178.499       177.904         0.595
RESID 168 (D):       CA        57.433        57.433        57.630        -0.197
RESID 168 (D):       CB        40.758        40.758        40.497         0.261
RESID 168 (D):        H         8.670         8.670         8.015         0.655
RESID 169 (E):        N       120.325       120.325       120.587        -0.262
RESID 169 (E):       HA         4.041         4.041         3.953         0.088
RESID 169 (E):        C       178.994       178.994       178.879         0.115
RESID 169 (E):       CA        59.375        59.375        59.314         0.061
RESID 169 (E):       CB        28.864        28.864        29.423        -0.559
RESID 169 (E):        H         8.079         8.079         8.030         0.049
RESID 170 (L):        N       120.582       120.582       118.628         1.954
RESID 170 (L):       HA         4.131         4.131         3.893         0.238
RESID 170 (L):        C       179.013       179.013       178.582         0.431
RESID 170 (L):       CA        58.045        58.045        57.548         0.497
RESID 170 (L):       CB        41.675        41.675        41.674         0.001
RESID 170 (L):        H         7.615         7.615         8.094        -0.479
RESID 171 (T):        N       118.834       118.834       116.486         2.348
RESID 171 (T):       HA         4.036         4.036         3.806         0.230
RESID 171 (T):        C       175.899       175.899       176.510        -0.611
RESID 171 (T):       CA        68.163        68.163        66.615         1.548
RESID 171 (T):       CB        68.338        68.338        68.215         0.123
RESID 171 (T):        H         8.815         8.815         8.016         0.799
RESID 172 (R):        N       118.894       118.894       121.535        -2.641
RESID 172 (R):       HA         3.885         3.885         3.889        -0.004
RESID 172 (R):        C       179.660       179.660       178.855         0.805
RESID 172 (R):       CA        60.269        60.269        60.020         0.249
RESID 172 (R):       CB        29.990        29.990        30.067        -0.077
RESID 172 (R):        H         8.249         8.249         8.583        -0.334
RESID 173 (R):        N       120.681       120.681       118.702         1.979
RESID 173 (R):       HA         4.030         4.030         4.207        -0.177
RESID 173 (R):        C       179.645       179.645       178.910         0.735
RESID 173 (R):       CA        59.615        59.615        59.092         0.523
RESID 173 (R):       CB        30.566        30.566        29.715         0.851
RESID 173 (R):        H         7.961         7.961         7.836         0.125
RESID 174 (F):        N       118.546       118.546       119.666        -1.120
RESID 174 (F):       HA         4.292         4.292         4.321        -0.029
RESID 174 (F):        C       178.154       178.154       177.968         0.186
RESID 174 (F):       CA        63.590        63.590        59.403         4.187
RESID 174 (F):       CB        40.383        40.383        38.013         2.370
RESID 174 (F):        H         8.548         8.548         7.942         0.606
RESID 175 (V):        N       118.935       118.935       120.883        -1.948
RESID 175 (V):       HA         3.373         3.373         3.833        -0.460
RESID 175 (V):        C       177.099       177.099       178.243        -1.144
RESID 175 (V):       CA        67.334        67.334        66.317         1.017
RESID 175 (V):       CB        31.745        31.745        31.277         0.468
RESID 175 (V):        H         8.770         8.770         8.668         0.102
RESID 176 (A):        N       120.243       120.243       122.571        -2.328
RESID 176 (A):       HA         4.162         4.162         4.133         0.029
RESID 176 (A):        C       181.643       181.643       179.068         2.575
RESID 176 (A):       CA        55.105        55.105        55.164        -0.059
RESID 176 (A):       CB        17.765        17.765        18.648        -0.883
RESID 176 (A):        H         7.967         7.967         7.926         0.041
RESID 177 (L):        N       121.411       121.411       115.617         5.794
RESID 177 (L):       HA         3.938         3.938         4.399        -0.461
RESID 177 (L):        C       178.694       178.694       178.222         0.472
RESID 177 (L):       CA        58.611        58.611        57.245         1.366
RESID 177 (L):       CB        41.513        41.513        42.201        -0.688
RESID 177 (L):        H         7.634         7.634         8.054        -0.420
RESID 178 (M):        N       118.652       118.652       120.101        -1.449
RESID 178 (M):       HA         3.564         3.564         3.799        -0.235
RESID 178 (M):        C       181.569       181.569       178.789         2.780
RESID 178 (M):       CA        59.718        59.718        59.207         0.511
RESID 178 (M):       CB        33.450        33.450        32.290         1.160
RESID 178 (M):        H         7.940         7.940         8.279        -0.339
RESID 179 (D):        N       121.310       121.310       120.354         0.956
RESID 179 (D):       HA         4.371         4.371         4.403        -0.032
RESID 179 (D):        C       177.730       177.730       177.003         0.727
RESID 179 (D):       CA        56.932        56.932        56.629         0.303
RESID 179 (D):       CB        39.826        39.826        40.040        -0.214
RESID 179 (D):        H         9.022         9.022         8.404         0.618
RESID 180 (A):        N       120.199       120.199       119.509         0.690
RESID 180 (A):       HA         4.357         4.357         4.494        -0.137
RESID 180 (A):        C       177.935       177.935       178.062        -0.127
RESID 180 (A):       CA        52.276        52.276        51.566         0.711
RESID 180 (A):       CB        19.028        19.028        18.056         0.972
RESID 180 (A):        H         7.667         7.667         7.780        -0.113
RESID 181 (G):        N       107.115       107.115       107.795        -0.680
RESID 181 (G):        C       175.650       175.650       174.938         0.712
RESID 181 (G):       CA        45.480        45.480        45.822        -0.342
RESID 181 (G):        H         7.916         7.916         7.750         0.166
RESID 182 (E):        N       120.055       120.055       121.517        -1.462
RESID 182 (E):       HA         4.701         4.701         4.674         0.027
RESID 182 (E):       CA        54.158        54.158        53.626         0.532
RESID 182 (E):       CB        28.461        28.461        30.436        -1.975
RESID 182 (E):        H         7.887         7.887         7.738         0.149
RESID 183 (P):       HA         4.729         4.729         4.527         0.202
RESID 183 (P):        C       177.156       177.156       176.938         0.218
RESID 183 (P):       CA        62.595        62.595        62.576         0.019
RESID 183 (P):       CB        33.002        33.002        32.719         0.282
RESID 184 (A):        N       124.966       124.966       122.196         2.770
RESID 184 (A):       HA         3.372         3.372         3.783        -0.411
RESID 184 (A):        C       173.383       173.383       177.575        -4.192
RESID 184 (A):       CA        54.234        54.234        53.735         0.499
RESID 184 (A):       CB        19.100        19.100        18.100         1.000
RESID 184 (A):        H         9.082         9.082         8.483         0.599
RESID 185 (D):        N       107.028       107.028       116.040        -9.012
RESID 185 (D):       HA         4.474         4.474         4.641        -0.167
RESID 185 (D):        C       176.790       176.790       175.676         1.114
RESID 185 (D):       CA        50.914        50.914        53.736        -2.822
RESID 185 (D):       CB        39.354        39.354        41.007        -1.653
RESID 185 (D):        H         7.364         7.364         8.425        -1.061
RESID 186 (S):        N       113.421       113.421       115.510        -2.089
RESID 186 (S):       HA         4.328         4.328         4.461        -0.133
RESID 186 (S):        C       174.699       174.699       174.917        -0.218
RESID 186 (S):       CA        57.769        57.769        57.531         0.238
RESID 186 (S):       CB        65.781        65.781        64.320         1.460
RESID 186 (S):        H         7.676         7.676         7.422         0.254
RESID 187 (E):        N       121.832       121.832       122.355        -0.523
RESID 187 (E):       HA         3.698         3.698         4.050        -0.352
RESID 187 (E):        C       178.242       178.242       178.636        -0.394
RESID 187 (E):       CA        60.525        60.525        60.206         0.319
RESID 187 (E):       CB        29.271        29.271        29.490        -0.219
RESID 187 (E):        H         9.064         9.064         8.924         0.140
RESID 188 (G):        N       103.385       103.385       107.244        -3.859
RESID 188 (G):        C       176.865       176.865       175.536         1.329
RESID 188 (G):       CA        47.142        47.142        47.035         0.107
RESID 188 (G):        H         8.688         8.688         7.751         0.937
RESID 189 (A):        N       125.710       125.710       123.958         1.752
RESID 189 (A):       HA         4.040         4.040         3.984         0.056
RESID 189 (A):        C       179.646       179.646       179.346         0.300
RESID 189 (A):       CA        55.511        55.511        54.821         0.690
RESID 189 (A):       CB        18.211        18.211        18.552        -0.341
RESID 189 (A):        H         7.716         7.716         7.843        -0.127
RESID 190 (M):        N       117.503       117.503       117.081         0.422
RESID 190 (M):       HA         4.060         4.060         4.121        -0.061
RESID 190 (M):        C       178.705       178.705       177.723         0.982
RESID 190 (M):       CA        60.473        60.473        58.596         1.877
RESID 190 (M):       CB        33.599        33.599        32.650         0.949
RESID 190 (M):        H         8.569         8.569         8.573        -0.004
RESID 191 (D):        N       119.826       119.826       119.495         0.331
RESID 191 (D):       HA         4.276         4.276         4.420        -0.144
RESID 191 (D):        C       178.528       178.528       177.899         0.629
RESID 191 (D):       CA        57.152        57.152        56.681         0.471
RESID 191 (D):       CB        39.009        39.009        39.787        -0.778
RESID 191 (D):        H         8.820         8.820         8.217         0.603
RESID 192 (A):        N       123.880       123.880       122.421         1.459
RESID 192 (A):       HA         3.905         3.905         4.180        -0.275
RESID 192 (A):        C       179.032       179.032       179.722        -0.690
RESID 192 (A):       CA        55.448        55.448        55.112         0.336
RESID 192 (A):       CB        15.703        15.703        18.035        -2.332
RESID 192 (A):        H         7.544         7.544         7.429         0.115
RESID 193 (A):        N       120.855       120.855       121.121        -0.266
RESID 193 (A):       HA         4.358         4.358         4.011         0.347
RESID 193 (A):        C       179.427       179.427       179.687        -0.260
RESID 193 (A):       CA        55.521        55.521        55.206         0.315
RESID 193 (A):       CB        18.361        18.361        18.126         0.235
RESID 193 (A):        H         8.435         8.435         7.805         0.630
RESID 194 (E):        N       122.123       122.123       118.905         3.218
RESID 194 (E):       HA         4.375         4.375         3.938         0.437
RESID 194 (E):        C       178.565       178.565       178.721        -0.156
RESID 194 (E):       CA        58.780        58.780        60.042        -1.262
RESID 194 (E):       CB        27.301        27.301        29.350        -2.049
RESID 194 (E):        H         8.778         8.778         7.798         0.980
RESID 195 (D):        N       121.253       121.253       119.612         1.641
RESID 195 (D):       HA         4.408         4.408         4.375         0.033
RESID 195 (D):        C       179.882       179.882       178.240         1.642
RESID 195 (D):       CA        57.421        57.421        57.489        -0.068
RESID 195 (D):       CB        39.518        39.518        40.988        -1.470
RESID 195 (D):        H         8.213         8.213         7.891         0.322
RESID 196 (H):        N       124.862       124.862       120.432         4.430
RESID 196 (H):       HA         4.172         4.172         4.252        -0.080
RESID 196 (H):        C       177.779       177.779       177.893        -0.114
RESID 196 (H):       CA        61.442        61.442        60.223         1.219
RESID 196 (H):       CB        31.474        31.474        30.205         1.269
RESID 196 (H):        H         8.857         8.857         8.310         0.547
RESID 197 (R):        N       123.019       123.019       118.809         4.210
RESID 197 (R):       HA         3.001         3.001         4.213        -1.212
RESID 197 (R):        C       178.632       178.632       179.161        -0.529
RESID 197 (R):       CA        60.121        60.121        58.632         1.489
RESID 197 (R):       CB        30.529        30.529        29.512         1.017
RESID 197 (R):        H         8.371         8.371         8.722        -0.351
RESID 198 (Q):        N       114.857       114.857       119.908        -5.051
RESID 198 (Q):       HA         3.780         3.780         4.025        -0.245
RESID 198 (Q):        C       179.002       179.002       178.421         0.581
RESID 198 (Q):       CA        58.513        58.513        58.921        -0.408
RESID 198 (Q):       CB        27.753        27.753        28.516        -0.763
RESID 198 (Q):        H         8.283         8.283         8.629        -0.346
RESID 199 (G):        N       109.227       109.227       105.890         3.337
RESID 199 (G):        C       175.335       175.335       176.096        -0.761
RESID 199 (G):       CA        46.966        46.966        46.131         0.835
RESID 199 (G):        H         8.177         8.177         7.967         0.210
RESID 200 (I):        N       123.036       123.036       122.477         0.559
RESID 200 (I):       HA         3.493         3.493         3.714        -0.221
RESID 200 (I):        C       178.329       178.329       177.101         1.228
RESID 200 (I):       CA        64.940        64.940        63.736         1.204
RESID 200 (I):       CB        36.330        36.330        37.945        -1.615
RESID 200 (I):        H         7.474         7.474         7.591        -0.117
RESID 201 (A):        N       121.122       121.122       121.048         0.074
RESID 201 (A):       HA         4.501         4.501         4.120         0.381
RESID 201 (A):        C       179.480       179.480       179.115         0.365
RESID 201 (A):       CA        53.082        53.082        54.276        -1.194
RESID 201 (A):       CB        18.054        18.054        18.718        -0.664
RESID 201 (A):        H         7.739         7.739         7.755        -0.016
RESID 202 (R):        N       115.981       115.981       117.497        -1.516
RESID 202 (R):       HA         3.853         3.853         4.051        -0.198
RESID 202 (R):        C       177.874       177.874       177.967        -0.093
RESID 202 (R):       CA        58.391        58.391        58.809        -0.418
RESID 202 (R):       CB        31.163        31.163        30.087         1.076
RESID 202 (R):        H         7.968         7.968         7.687         0.281
RESID 203 (N):        N       111.860       111.860       115.333        -3.473
RESID 203 (N):       HA         4.362         4.362         4.421        -0.059
RESID 203 (N):        C       175.317       175.317       175.022         0.295
RESID 203 (N):       CA        53.644        53.644        54.606        -0.962
RESID 203 (N):       CB        40.307        40.307        38.976         1.331
RESID 203 (N):        H         7.591         7.591         7.877        -0.286
RESID 204 (H):        N       118.469       118.469       114.821         3.648
RESID 204 (H):       HA         4.670         4.670         4.842        -0.172
RESID 204 (H):        C       172.483       172.483       173.951        -1.468
RESID 204 (H):       CA        59.079        59.079        57.528         1.552
RESID 204 (H):       CB        33.877        33.877        32.863         1.014
RESID 204 (H):        H         8.389         8.389         7.500         0.889
RESID 205 (Y):        N       111.831       111.831       113.616        -1.785
RESID 205 (Y):       HA         4.363         4.363         4.745        -0.382
RESID 205 (Y):        C       173.387       173.387       173.431        -0.044
RESID 205 (Y):       CA        56.400        56.400        55.950         0.450
RESID 205 (Y):       CB        39.523        39.523        40.230        -0.707
RESID 205 (Y):        H         7.240         7.240         7.210         0.030
RESID 206 (D):        N       117.047       117.047       120.314        -3.267
RESID 206 (D):       HA         4.033         4.033         4.565        -0.532
RESID 206 (D):        C       175.864       175.864       175.558         0.306
RESID 206 (D):       CA        56.391        56.391        54.072         2.319
RESID 206 (D):       CB        40.166        40.166        39.949         0.217
RESID 206 (D):        H         8.304         8.304         8.478        -0.174
RESID 207 (C):        N       125.983       125.983       121.925         4.058
RESID 207 (C):       HA         4.694         4.694         4.838        -0.144
RESID 207 (C):        C       172.708       172.708       173.949        -1.241
RESID 207 (C):       CA        57.910        57.910        56.632         1.278
RESID 207 (C):       CB        26.861        26.861        30.693        -3.832
RESID 207 (C):        H         7.581         7.581         7.925        -0.344
RESID 208 (G):        N       113.288       113.288       108.972         4.316
RESID 208 (G):        C       173.509       173.509       173.304         0.205
RESID 208 (G):       CA        44.579        44.579        44.712        -0.133
RESID 208 (G):        H         8.359         8.359         8.420        -0.061
RESID 209 (Y):        N       116.731       116.731       118.762        -2.031
RESID 209 (Y):       HA         3.965         3.965         4.749        -0.784
RESID 209 (Y):        C       177.981       177.981       176.973         1.008
RESID 209 (Y):       CA        64.964        64.964        55.082         9.882
RESID 209 (Y):       CB        38.046        38.046        37.859         0.187
RESID 209 (Y):        H         8.283         8.283         8.077         0.206
RESID 210 (E):        N       119.927       119.927       121.869        -1.942
RESID 210 (E):       HA         4.089         4.089         3.995         0.094
RESID 210 (E):        C       178.511       178.511       178.210         0.301
RESID 210 (E):       CA        60.166        60.166        59.617         0.549
RESID 210 (E):       CB        28.747        28.747        29.739        -0.992
RESID 210 (E):        H         8.870         8.870         8.344         0.526
RESID 211 (M):        N       120.242       120.242       116.181         4.061
RESID 211 (M):       HA         3.914         3.914         4.089        -0.175
RESID 211 (M):       CA        57.257        57.257        58.243        -0.986
RESID 211 (M):       CB        31.938        31.938        31.748         0.190
RESID 211 (M):        H         8.047         8.047         8.320        -0.273
RESID 212 (H):        N       120.018       120.018       118.492         1.526
RESID 212 (H):       HA         3.977         3.977         3.972         0.005
RESID 212 (H):        C       178.034       178.034       177.547         0.487
RESID 212 (H):       CA        59.099        59.099        59.113        -0.014
RESID 212 (H):       CB        33.381        33.381        29.572         3.809
RESID 212 (H):        H         8.647         8.647         8.508         0.139
RESID 213 (T):        N       107.780       107.780       115.295        -7.515
RESID 213 (T):       HA         3.775         3.775         3.895        -0.120
RESID 213 (T):        C       176.569       176.569       176.423         0.146
RESID 213 (T):       CA        65.841        65.841        67.433        -1.592
RESID 213 (T):       CB        68.584        68.584        68.835        -0.251
RESID 213 (T):        H         8.140         8.140         7.719         0.421
RESID 214 (C):        N       120.727       120.727       120.859        -0.132
RESID 214 (C):       HA         4.039         4.039         4.229        -0.190
RESID 214 (C):       CA        63.078        63.078        63.222        -0.144
RESID 214 (C):        H         7.337         7.337         7.893        -0.556
RESID 215 (L):        N       121.760       121.760       121.524         0.236
RESID 215 (L):       HA         3.406         3.406         3.883        -0.477
RESID 215 (L):        C       176.549       176.549       178.923        -2.374
RESID 215 (L):       CA        57.581        57.581        57.211         0.370
RESID 215 (L):       CB        40.459        40.459        40.934        -0.475
RESID 215 (L):        H         7.696         7.696         8.842        -1.146
RESID 216 (G):        N       101.717       101.717       106.363        -4.646
RESID 216 (G):        C       174.717       174.717       176.277        -1.560
RESID 216 (G):       CA        47.445        47.445        47.311         0.134
RESID 216 (G):        H         7.849         7.849         8.461        -0.612
RESID 217 (E):        N       115.126       115.126       121.466        -6.340
RESID 217 (E):       HA         4.021         4.021         3.990         0.031
RESID 217 (E):        C       179.892       179.892       179.139         0.753
RESID 217 (E):       CA        58.378        58.378        59.153        -0.775
RESID 217 (E):       CB        28.933        28.933        29.765        -0.832
RESID 217 (E):        H         7.572         7.572         7.523         0.049
RESID 218 (M):        N       123.032       123.032       117.959         5.073
RESID 218 (M):       HA         3.993         3.993         4.501        -0.508
RESID 218 (M):        C       177.036       177.036       178.230        -1.194
RESID 218 (M):       CA        58.596        58.596        58.103         0.493
RESID 218 (M):       CB        32.582        32.582        32.639        -0.057
RESID 218 (M):        H         7.495         7.495         7.624        -0.129
RESID 219 (Y):        N       115.483       115.483       122.072        -6.589
RESID 219 (Y):       HA         4.174         4.174         4.223        -0.049
RESID 219 (Y):        C       176.350       176.350       177.433        -1.083
RESID 219 (Y):       CA        56.530        56.530        60.115        -3.585
RESID 219 (Y):       CB        35.854        35.854        38.346        -2.492
RESID 219 (Y):        H         7.521         7.521         8.362        -0.841
RESID 220 (V):        N       109.054       109.054       118.804        -9.750
RESID 220 (V):       HA         4.022         4.022         4.047        -0.025
RESID 220 (V):        C       176.266       176.266       177.292        -1.026
RESID 220 (V):       CA        62.095        62.095        63.504        -1.409
RESID 220 (V):       CB        32.980        32.980        32.462         0.518
RESID 220 (V):        H         6.817         6.817         7.473        -0.656
RESID 221 (S):        N       115.276       115.276       114.798         0.478
RESID 221 (S):       HA         4.368         4.368         4.245         0.123
RESID 221 (S):        C       174.071       174.071       174.670        -0.599
RESID 221 (S):       CA        59.950        59.950        60.776        -0.826
RESID 221 (S):       CB        63.608        63.608        63.481         0.127
RESID 221 (S):        H         8.278         8.278         8.062         0.216
RESID 222 (D):        N       122.686       122.686       121.567         1.119
RESID 222 (D):       HA         4.962         4.962         4.842         0.120
RESID 222 (D):        C       176.246       176.246       176.396        -0.150
RESID 222 (D):       CA        52.489        52.489        54.426        -1.937
RESID 222 (D):       CB        41.604        41.604        41.796        -0.192
RESID 222 (D):        H         8.238         8.238         7.753         0.485
RESID 223 (E):        N       124.836       124.836       123.902         0.934
RESID 223 (E):       HA         4.306         4.306         3.957         0.349
RESID 223 (E):        C       177.201       177.201       178.267        -1.066
RESID 223 (E):       CA        58.566        58.566        59.825        -1.259
RESID 223 (E):       CB        29.326        29.326        29.751        -0.425
RESID 223 (E):        H         8.932         8.932         8.989        -0.057
RESID 224 (R):        N       117.537       117.537       117.559        -0.022
RESID 224 (R):       HA         4.102         4.102         4.126        -0.024
RESID 224 (R):        C       181.161       181.161       178.454         2.707
RESID 224 (R):       CA        58.642        58.642        58.289         0.353
RESID 224 (R):       CB        30.996        30.996        29.135         1.861
RESID 224 (R):        H         8.429         8.429         8.583        -0.154
RESID 225 (F):        N       116.733       116.733       119.404        -2.671
RESID 225 (F):       HA         4.149         4.149         4.546        -0.397
RESID 225 (F):        C       177.880       177.880       177.801         0.079
RESID 225 (F):       CA        60.916        60.916        61.181        -0.265
RESID 225 (F):       CB        39.728        39.728        38.871         0.857
RESID 225 (F):        H         7.830         7.830         7.568         0.262
RESID 226 (T):        N       116.162       116.162       116.068         0.094
RESID 226 (T):       HA         3.637         3.637         4.025        -0.388
RESID 226 (T):        C       176.142       176.142       176.348        -0.206
RESID 226 (T):       CA        67.025        67.025        67.525        -0.500
RESID 226 (T):       CB        68.865        68.865        68.827         0.038
RESID 226 (T):        H         8.182         8.182         7.977         0.205
RESID 227 (R):        N       115.469       115.469       121.067        -5.598
RESID 227 (R):       HA         3.984         3.984         4.508        -0.524
RESID 227 (R):        C       178.758       178.758       178.178         0.580
RESID 227 (R):       CA        59.109        59.109        59.000         0.109
RESID 227 (R):       CB        30.331        30.331        30.076         0.255
RESID 227 (R):        H         8.388         8.388         8.565        -0.177
RESID 228 (N):        N       116.518       116.518       117.441        -0.923
RESID 228 (N):       HA         4.637         4.637         4.664        -0.027
RESID 228 (N):        C       177.791       177.791       177.176         0.615
RESID 228 (N):       CA        55.214        55.214        55.644        -0.430
RESID 228 (N):       CB        38.118        38.118        38.251        -0.133
RESID 228 (N):        H         6.883         6.883         7.744        -0.861
RESID 229 (I):        N       122.529       122.529       120.032         2.497
RESID 229 (I):       HA         3.824         3.824         3.915        -0.091
RESID 229 (I):        C       178.564       178.564       177.647         0.917
RESID 229 (I):       CA        65.206        65.206        64.584         0.622
RESID 229 (I):       CB        39.514        39.514        38.414         1.100
RESID 229 (I):        H         8.636         8.636         7.725         0.911
RESID 230 (D):        N       118.458       118.458       120.001        -1.543
RESID 230 (D):       HA         4.686         4.686         4.460         0.226
RESID 230 (D):        C       177.491       177.491       178.084        -0.593
RESID 230 (D):       CA        55.594        55.594        56.203        -0.609
RESID 230 (D):       CB        38.864        38.864        39.843        -0.979
RESID 230 (D):        H         8.866         8.866         8.748         0.118
RESID 231 (A):        N       123.132       123.132       122.137         0.995
RESID 231 (A):       HA         4.053         4.053         4.083        -0.030
RESID 231 (A):        C       179.554       179.554       178.477         1.077
RESID 231 (A):       CA        54.925        54.925        54.483         0.442
RESID 231 (A):       CB        18.199        18.199        17.935         0.264
RESID 231 (A):        H         7.074         7.074         7.651        -0.577
RESID 232 (A):        N       116.232       116.232       118.866        -2.634
RESID 232 (A):       HA         4.203         4.203         4.283        -0.080
RESID 232 (A):        C       178.208       178.208       177.080         1.128
RESID 232 (A):       CA        53.686        53.686        52.588         1.098
RESID 232 (A):       CB        19.446        19.446        20.080        -0.634
RESID 232 (A):        H         7.505         7.505         7.672        -0.167
RESID 233 (K):        N       116.503       116.503       118.281        -1.778
RESID 233 (K):       HA         4.464         4.464         4.736        -0.272
RESID 233 (K):       CA        54.363        54.363        53.503         0.860
RESID 233 (K):       CB        34.836        34.836        33.311         1.525
RESID 233 (K):        H         6.678         6.678         7.753        -1.075
RESID 234 (P):       HA         4.277         4.277         4.225         0.052
RESID 234 (P):        C       177.398       177.398       177.698        -0.300
RESID 234 (P):       CA        64.067        64.067        64.641        -0.574
RESID 234 (P):       CB        31.749        31.749        31.952        -0.203
RESID 235 (G):        N       112.543       112.543       111.121         1.422
RESID 235 (G):        C       174.848       174.848       175.918        -1.070
RESID 235 (G):       CA        45.098        45.098        45.340        -0.242
RESID 235 (G):        H         8.705         8.705         8.406         0.299
RESID 236 (L):        N       126.659       126.659       123.383         3.276
RESID 236 (L):       HA         4.270         4.270         4.158         0.112
RESID 236 (L):        C       177.242       177.242       178.102        -0.860
RESID 236 (L):       CA        57.890        57.890        57.587         0.303
RESID 236 (L):       CB        41.658        41.658        41.561         0.097
RESID 236 (L):        H         7.919         7.919         8.150        -0.231
RESID 237 (A):        N       126.005       126.005       120.646         5.359
RESID 237 (A):       HA         3.745         3.745         3.742         0.003
RESID 237 (A):        C       179.077       179.077       178.884         0.193
RESID 237 (A):       CA        56.464        56.464        55.043         1.421
RESID 237 (A):       CB        17.932        17.932        17.506         0.426
RESID 237 (A):        H        10.901        10.901         8.585         2.316
RESID 238 (A):        N       118.189       118.189       120.947        -2.758
RESID 238 (A):       HA         3.764         3.764         3.960        -0.196
RESID 238 (A):        C       178.967       178.967       178.730         0.237
RESID 238 (A):       CA        54.549        54.549        54.343         0.206
RESID 238 (A):       CB        17.675        17.675        18.458        -0.783
RESID 238 (A):        H         8.168         8.168         7.712         0.456
RESID 239 (Y):        N       121.259       121.259       120.560         0.699
RESID 239 (Y):       HA         4.073         4.073         4.135        -0.062
RESID 239 (Y):        C       177.802       177.802       177.487         0.315
RESID 239 (Y):       CA        62.144        62.144        61.751         0.393
RESID 239 (Y):       CB        39.874        39.874        38.436         1.438
RESID 239 (Y):        H         7.940         7.940         7.599         0.341
RESID 240 (M):        N       116.383       116.383       118.635        -2.252
RESID 240 (M):       HA         3.300         3.300         3.944        -0.644
RESID 240 (M):        C       177.926       177.926       178.224        -0.298
RESID 240 (M):       CA        60.325        60.325        59.649         0.676
RESID 240 (M):       CB        33.236        33.236        32.196         1.040
RESID 240 (M):        H         9.169         9.169         8.475         0.694
RESID 241 (R):        N       118.201       118.201       120.418        -2.217
RESID 241 (R):       HA         3.397         3.397         4.004        -0.607
RESID 241 (R):        C       178.188       178.188       178.479        -0.291
RESID 241 (R):       CA        60.728        60.728        59.589         1.139
RESID 241 (R):       CB        28.104        28.104        29.669        -1.565
RESID 241 (R):        H         8.479         8.479         7.585         0.894
RESID 242 (D):        N       119.314       119.314       118.529         0.785
RESID 242 (D):       HA         4.165         4.165         4.364        -0.199
RESID 242 (D):        C       178.707       178.707       178.130         0.577
RESID 242 (D):       CA        57.489        57.489        57.007         0.482
RESID 242 (D):       CB        39.827        39.827        40.492        -0.665
RESID 242 (D):        H         8.016         8.016         8.175        -0.159
RESID 243 (A):        N       127.195       127.195       123.695         3.500
RESID 243 (A):       HA         4.399         4.399         4.189         0.210
RESID 243 (A):        C       179.891       179.891       179.760         0.131
RESID 243 (A):       CA        54.946        54.946        54.495         0.451
RESID 243 (A):       CB        19.100        19.100        18.600         0.500
RESID 243 (A):        H         8.620         8.620         8.042         0.578
RESID 244 (I):        N       120.697       120.697       119.982         0.715
RESID 244 (I):       HA         3.540         3.540         3.422         0.118
RESID 244 (I):        C       179.591       179.591       177.233         2.358
RESID 244 (I):       CA        65.737        65.737        63.659         2.078
RESID 244 (I):       CB        37.579        37.579        37.952        -0.373
RESID 244 (I):        H         8.871         8.871         8.386         0.485
RESID 245 (L):        N       121.753       121.753       120.454         1.299
RESID 245 (L):       HA         3.987         3.987         3.808         0.179
RESID 245 (L):        C       179.065       179.065       178.501         0.564
RESID 245 (L):       CA        58.462        58.462        57.846         0.616
RESID 245 (L):       CB        41.173        41.173        41.658        -0.485
RESID 245 (L):        H         8.311         8.311         8.005         0.306
RESID 246 (A):        N       121.174       121.174       120.168         1.006
RESID 246 (A):       HA         4.081         4.081         3.847         0.234
RESID 246 (A):        C       180.864       180.864       179.260         1.604
RESID 246 (A):       CA        55.306        55.306        55.080         0.226
RESID 246 (A):       CB        16.939        16.939        18.041        -1.102
RESID 246 (A):        H         8.100         8.100         7.874         0.226
RESID 247 (N):        N       117.391       117.391       117.273         0.118
RESID 247 (N):       HA         4.582         4.582         4.324         0.258
RESID 247 (N):        C       177.205       177.205       177.231        -0.026
RESID 247 (N):       CA        56.362        56.362        55.861         0.501
RESID 247 (N):       CB        40.264        40.264        38.271         1.993
RESID 247 (N):        H         8.948         8.948         7.666         1.282
RESID 248 (A):        N       124.544       124.544       120.112         4.432
RESID 248 (A):       HA         3.917         3.917         3.989        -0.072
RESID 248 (A):        C       180.931       180.931       178.813         2.118
RESID 248 (A):       CA        55.851        55.851        54.314         1.537
RESID 248 (A):       CB        17.991        17.991        18.680        -0.689
RESID 248 (A):        H         8.432         8.432         7.568         0.864
RESID 249 (V):        N       120.469       120.469       116.974         3.495
RESID 249 (V):       HA         3.575         3.575         3.590        -0.015
RESID 249 (V):        C       179.608       179.608       178.400         1.208
RESID 249 (V):       CA        66.636        66.636        66.073         0.563
RESID 249 (V):       CB        31.449        31.449        31.822        -0.373
RESID 249 (V):        H         8.214         8.214         7.475         0.739
RESID 250 (R):        N       116.667       116.667       116.440         0.227
RESID 250 (R):       HA         4.269         4.269         4.213         0.056
RESID 250 (R):        C       176.251       176.251       177.261        -1.010
RESID 250 (R):       CA        57.938        57.938        56.498         1.440
RESID 250 (R):       CB        28.897        28.897        29.775        -0.878
RESID 250 (R):        H         7.583         7.583         7.488         0.095
RESID 251 (H):        N       115.928       115.928       114.901         1.027
RESID 251 (H):       HA         4.472         4.472         4.587        -0.115
RESID 251 (H):        C       173.245       173.245       174.797        -1.552
RESID 251 (H):       CA        56.667        56.667        55.344         1.323
RESID 251 (H):       CB        28.543        28.543        29.316        -0.773
RESID 251 (H):        H         7.163         7.163         7.725        -0.562
RESID 252 (T):        N       118.280       118.280       115.372         2.908
RESID 252 (T):       HA         4.517         4.517         4.618        -0.101
RESID 252 (T):       CA        60.673        60.673        58.720         1.953
RESID 252 (T):       CB        70.034        70.034        69.731         0.303
RESID 252 (T):        H         7.449         7.449         7.234         0.215

                         N          HA           C          CA          CB           H
RESID 113 (N):      -2.055      -0.096       0.225      -0.046      -0.906      -0.046
RESID 114 (L):      -2.127       0.120       1.089      -0.254       0.910       0.042
RESID 115 (T):       1.055      -0.124       -----       1.727      -1.673       1.175
RESID 116 (P):       -----       0.091       0.574       0.463      -0.034       -----
RESID 117 (E):       0.980       0.004       0.459       1.165      -0.460      -0.141
RESID 118 (E):       0.954      -0.416      -0.414       0.420       2.240      -0.108
RESID 119 (K):      -2.974      -0.495      -1.162       0.657       0.242      -0.143
RESID 120 (F):      -2.097       0.300       -----      -1.389      -0.158      -0.090
RESID 121 (E):       0.847      -0.308      -0.470       0.362      -0.291       0.132
RESID 122 (V):      -4.416      -0.408       1.549       1.730      -0.285      -0.663
RESID 123 (F):      -2.528      -0.188       2.035       0.145      -1.054      -0.138
RESID 124 (G):       1.227       -----       0.037       0.273       -----       0.094
RESID 125 (D):       9.081      -0.156       1.123      -0.627      -0.013       0.182
RESID 126 (F):      -0.376      -0.365      -0.437       0.331       0.719       0.005
RESID 127 (D):      -3.252       0.198       -----      -1.091      -0.659      -0.186
RESID 128 (P):       -----      -0.462       1.416      -1.536       0.319       -----
RESID 129 (D):      -1.154      -0.020      -0.250      -0.548       0.206      -0.822
RESID 130 (Q):      -1.139      -0.052      -1.796      -1.258       0.023      -1.231
RESID 131 (Y):      -3.842       0.367      -3.094      -1.012       2.116      -0.324
RESID 132 (E):      -2.097      -0.110      -0.152       0.382       0.884      -1.514
RESID 133 (E):       0.706       0.050      -1.195      -0.130      -0.719       0.917
RESID 134 (E):       2.453      -0.147      -1.453       0.125      -0.810       0.407
RESID 135 (V):      -0.453      -0.597      -0.087      -0.683       0.196      -0.151
RESID 136 (R):      -2.383      -0.833       1.066      -0.375      -0.504      -0.419
RESID 137 (E):       2.339      -0.364      -0.030       0.655      -0.155       0.527
RESID 138 (R):      -2.714      -0.209       1.460       0.193      -0.155       0.184
RESID 139 (W):      -1.634       0.215      -0.084      -1.667      -2.113       0.356
RESID 140 (G):       1.215       -----      -0.559       0.125       -----      -0.167
RESID 141 (N):       1.415       0.333       1.508      -0.654      -0.743      -0.125
RESID 142 (T):      -4.349       0.201       0.834       0.348       2.928      -0.125
RESID 143 (D):      -3.597       0.216       1.010       0.214       0.327       0.203
RESID 144 (A):       0.251       0.466       1.099       0.426       0.205       0.408
RESID 145 (Y):      -1.510       0.078       0.084       2.655       1.821       0.772
RESID 146 (R):       0.920       0.259       0.847       0.532       0.358      -0.097
RESID 147 (Q):       0.517      -0.026       0.825       0.449       0.899       0.924
RESID 148 (S):      -0.238       0.720       1.528      -0.353       0.781       1.006
RESID 149 (K):       5.718       0.052      -0.455       0.280       0.038       0.769
RESID 150 (E):      -1.345       0.041       0.536      -0.351       0.059      -0.361
RESID 151 (K):       2.424      -0.256       0.221       0.884       0.667       0.330
RESID 152 (T):      -9.006       0.846       -----      -1.817       1.224       0.148
RESID 153 (A):       0.299       0.069       0.226       0.410       0.287      -0.194
RESID 154 (S):      -3.622       0.152       0.046      -0.364       -----      -0.357
RESID 155 (Y):       1.043       0.772       1.980      -2.938      -1.513      -0.562
RESID 156 (T):      -0.610       0.149       0.041       0.776       1.097       1.719
RESID 157 (K):      -0.002      -0.269      -1.235       1.030      -0.582       0.555
RESID 158 (E):      -2.655       0.082       1.007       0.210       0.450      -0.353
RESID 159 (D):       0.276      -0.016      -1.111       0.648       0.617      -0.862
RESID 160 (W):      -2.706       0.119      -0.501       0.911       0.390       0.282
RESID 161 (Q):      -1.241      -0.128      -0.827      -0.036       0.764       0.014
RESID 162 (R):      -0.057      -0.026      -0.704       1.284      -0.692      -0.256
RESID 163 (I):      -1.181      -0.456       1.237       0.656       0.272       0.138
RESID 164 (Q):       2.889       0.449       0.280      -0.763       1.659      -0.136
RESID 165 (D):       3.391       0.112       1.853       0.083      -1.329       0.364
RESID 166 (E):       1.144      -0.027       1.757      -0.013      -0.076       0.534
RESID 167 (A):       1.655       0.436       1.548      -0.392       0.152       0.099
RESID 168 (D):       0.974       0.284       0.595      -0.197       0.261       0.655
RESID 169 (E):      -0.262       0.088       0.115       0.061      -0.559       0.049
RESID 170 (L):       1.954       0.238       0.431       0.497       0.001      -0.479
RESID 171 (T):       2.348       0.230      -0.611       1.548       0.123       0.799
RESID 172 (R):      -2.641      -0.004       0.805       0.249      -0.077      -0.334
RESID 173 (R):       1.979      -0.177       0.735       0.523       0.851       0.125
RESID 174 (F):      -1.120      -0.029       0.186       4.187       2.370       0.606
RESID 175 (V):      -1.948      -0.460      -1.144       1.017       0.468       0.102
RESID 176 (A):      -2.328       0.029       2.575      -0.059      -0.883       0.041
RESID 177 (L):       5.794      -0.461       0.472       1.366      -0.688      -0.420
RESID 178 (M):      -1.449      -0.235       2.780       0.511       1.160      -0.339
RESID 179 (D):       0.956      -0.032       0.727       0.303      -0.214       0.618
RESID 180 (A):       0.690      -0.137      -0.127       0.711       0.972      -0.113
RESID 181 (G):      -0.680       -----       0.712      -0.342       -----       0.166
RESID 182 (E):      -1.462       0.027       -----       0.532      -1.975       0.149
RESID 183 (P):       -----       0.202       0.218       0.019       0.282       -----
RESID 184 (A):       2.770      -0.411      -4.192       0.499       1.000       0.599
RESID 185 (D):      -9.012      -0.167       1.114      -2.822      -1.653      -1.061
RESID 186 (S):      -2.089      -0.133      -0.218       0.238       1.460       0.254
RESID 187 (E):      -0.523      -0.352      -0.394       0.319      -0.219       0.140
RESID 188 (G):      -3.859       -----       1.329       0.107       -----       0.937
RESID 189 (A):       1.752       0.056       0.300       0.690      -0.341      -0.127
RESID 190 (M):       0.422      -0.061       0.982       1.877       0.949      -0.004
RESID 191 (D):       0.331      -0.144       0.629       0.471      -0.778       0.603
RESID 192 (A):       1.459      -0.275      -0.690       0.336      -2.332       0.115
RESID 193 (A):      -0.266       0.347      -0.260       0.315       0.235       0.630
RESID 194 (E):       3.218       0.437      -0.156      -1.262      -2.049       0.980
RESID 195 (D):       1.641       0.033       1.642      -0.068      -1.470       0.322
RESID 196 (H):       4.430      -0.080      -0.114       1.219       1.269       0.547
RESID 197 (R):       4.210      -1.212      -0.529       1.489       1.017      -0.351
RESID 198 (Q):      -5.051      -0.245       0.581      -0.408      -0.763      -0.346
RESID 199 (G):       3.337       -----      -0.761       0.835       -----       0.210
RESID 200 (I):       0.559      -0.221       1.228       1.204      -1.615      -0.117
RESID 201 (A):       0.074       0.381       0.365      -1.194      -0.664      -0.016
RESID 202 (R):      -1.516      -0.198      -0.093      -0.418       1.076       0.281
RESID 203 (N):      -3.473      -0.059       0.295      -0.962       1.331      -0.286
RESID 204 (H):       3.648      -0.172      -1.468       1.552       1.014       0.889
RESID 205 (Y):      -1.785      -0.382      -0.044       0.450      -0.707       0.030
RESID 206 (D):      -3.267      -0.532       0.306       2.319       0.217      -0.174
RESID 207 (C):       4.058      -0.144      -1.241       1.278      -3.832      -0.344
RESID 208 (G):       4.316       -----       0.205      -0.133       -----      -0.061
RESID 209 (Y):      -2.031      -0.784       1.008       9.882       0.187       0.206
RESID 210 (E):      -1.942       0.094       0.301       0.549      -0.992       0.526
RESID 211 (M):       4.061      -0.175       -----      -0.986       0.190      -0.273
RESID 212 (H):       1.526       0.005       0.487      -0.014       3.809       0.139
RESID 213 (T):      -7.515      -0.120       0.146      -1.592      -0.251       0.421
RESID 214 (C):      -0.132      -0.190       -----      -0.144       -----      -0.556
RESID 215 (L):       0.236      -0.477      -2.374       0.370      -0.475      -1.146
RESID 216 (G):      -4.646       -----      -1.560       0.134       -----      -0.612
RESID 217 (E):      -6.340       0.031       0.753      -0.775      -0.832       0.049
RESID 218 (M):       5.073      -0.508      -1.194       0.493      -0.057      -0.129
RESID 219 (Y):      -6.589      -0.049      -1.083      -3.585      -2.492      -0.841
RESID 220 (V):      -9.750      -0.025      -1.026      -1.409       0.518      -0.656
RESID 221 (S):       0.478       0.123      -0.599      -0.826       0.127       0.216
RESID 222 (D):       1.119       0.120      -0.150      -1.937      -0.192       0.485
RESID 223 (E):       0.934       0.349      -1.066      -1.259      -0.425      -0.057
RESID 224 (R):      -0.022      -0.024       2.707       0.353       1.861      -0.154
RESID 225 (F):      -2.671      -0.397       0.079      -0.265       0.857       0.262
RESID 226 (T):       0.094      -0.388      -0.206      -0.500       0.038       0.205
RESID 227 (R):      -5.598      -0.524       0.580       0.109       0.255      -0.177
RESID 228 (N):      -0.923      -0.027       0.615      -0.430      -0.133      -0.861
RESID 229 (I):       2.497      -0.091       0.917       0.622       1.100       0.911
RESID 230 (D):      -1.543       0.226      -0.593      -0.609      -0.979       0.118
RESID 231 (A):       0.995      -0.030       1.077       0.442       0.264      -0.577
RESID 232 (A):      -2.634      -0.080       1.128       1.098      -0.634      -0.167
RESID 233 (K):      -1.778      -0.272       -----       0.860       1.525      -1.075
RESID 234 (P):       -----       0.052      -0.300      -0.574      -0.203       -----
RESID 235 (G):       1.422       -----      -1.070      -0.242       -----       0.299
RESID 236 (L):       3.276       0.112      -0.860       0.303       0.097      -0.231
RESID 237 (A):       5.359       0.003       0.193       1.421       0.426       2.316
RESID 238 (A):      -2.758      -0.196       0.237       0.206      -0.783       0.456
RESID 239 (Y):       0.699      -0.062       0.315       0.393       1.438       0.341
RESID 240 (M):      -2.252      -0.644      -0.298       0.676       1.040       0.694
RESID 241 (R):      -2.217      -0.607      -0.291       1.139      -1.565       0.894
RESID 242 (D):       0.785      -0.199       0.577       0.482      -0.665      -0.159
RESID 243 (A):       3.500       0.210       0.131       0.451       0.500       0.578
RESID 244 (I):       0.715       0.118       2.358       2.078      -0.373       0.485
RESID 245 (L):       1.299       0.179       0.564       0.616      -0.485       0.306
RESID 246 (A):       1.006       0.234       1.604       0.226      -1.102       0.226
RESID 247 (N):       0.118       0.258      -0.026       0.501       1.993       1.282
RESID 248 (A):       4.432      -0.072       2.118       1.537      -0.689       0.864
RESID 249 (V):       3.495      -0.015       1.208       0.563      -0.373       0.739
RESID 250 (R):       0.227       0.056      -1.010       1.440      -0.878       0.095
RESID 251 (H):       1.027      -0.115      -1.552       1.323      -0.773      -0.562
RESID 252 (T):       2.908      -0.101       -----       1.953       0.303       0.215

DATA CS_STAT_INFO  N  RMS:   3.033 ppm Count: 137 Average Difference:  0.246 +/- 3.034 ppm
DATA CS_STAT_INFO  HA RMS:   0.323 ppm Count: 149 Average Difference:  0.058 +/- 0.319 ppm
DATA CS_STAT_INFO  C  RMS:   1.111 ppm Count: 132 Average Difference: -0.195 +/- 1.097 ppm
DATA CS_STAT_INFO  CA RMS:   1.344 ppm Count: 141 Average Difference: -0.265 +/- 1.322 ppm
DATA CS_STAT_INFO  CB RMS:   1.093 ppm Count: 131 Average Difference: -0.035 +/- 1.097 ppm
DATA CS_STAT_INFO  HN RMS:   0.569 ppm Count: 137 Average Difference: -0.099 +/- 0.562 ppm


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

                   Atom      Original     Corrected        SPARTA    Difference
RESID 112 (I):        N       120.180       120.180       122.153        -1.973
RESID 112 (I):       HA         4.320         4.320         4.205         0.115
RESID 112 (I):        C       176.436       176.436       176.365         0.071
RESID 112 (I):       CA        61.350        61.350        61.757        -0.407
RESID 112 (I):       CB        38.688        38.688        36.912         1.776
RESID 112 (I):        H         8.735         8.735         8.667         0.068
RESID 113 (N):        N       125.593       125.593       128.131        -2.538
RESID 113 (N):       HA         4.915         4.915         4.975        -0.060
RESID 113 (N):        C       174.326       174.326       174.099         0.227
RESID 113 (N):       CA        52.993        52.993        53.150        -0.157
RESID 113 (N):       CB        37.402        37.402        38.338        -0.936
RESID 113 (N):        H         8.939         8.939         8.997        -0.058
RESID 114 (L):        N       120.224       120.224       122.372        -2.148
RESID 114 (L):       HA         4.943         4.943         4.737         0.206
RESID 114 (L):        C       176.954       176.954       175.540         1.414
RESID 114 (L):       CA        53.421        53.421        53.877        -0.456
RESID 114 (L):       CB        46.761        46.761        46.420         0.341
RESID 114 (L):        H         7.667         7.667         7.672        -0.005
RESID 115 (T):        N       114.226       114.226       112.245         1.981
RESID 115 (T):       HA         4.661         4.661         4.670        -0.009
RESID 115 (T):       CA        60.696        60.696        58.425         2.272
RESID 115 (T):       CB        67.843        67.843        69.300        -1.458
RESID 115 (T):        H         9.357         9.357         8.248         1.109
RESID 116 (P):       HA         4.150         4.150         3.949         0.201
RESID 116 (P):        C       179.425       179.425       178.811         0.614
RESID 116 (P):       CA        66.423        66.423        65.998         0.425
RESID 116 (P):       CB        31.661        31.661        31.760        -0.099
RESID 117 (E):        N       116.894       116.894       115.578         1.316
RESID 117 (E):       HA         4.117         4.117         4.246        -0.129
RESID 117 (E):        C       179.580       179.580       179.048         0.532
RESID 117 (E):       CA        60.388        60.388        59.171         1.217
RESID 117 (E):       CB        28.810        28.810        29.269        -0.459
RESID 117 (E):        H         8.731         8.731         8.769        -0.038
RESID 118 (E):        N       120.845       120.845       119.804         1.041
RESID 118 (E):       HA         4.011         4.011         4.218        -0.207
RESID 118 (E):        C       178.520       178.520       178.563        -0.043
RESID 118 (E):       CA        58.955        58.955        58.212         0.744
RESID 118 (E):       CB        31.576        31.576        29.020         2.556
RESID 118 (E):        H         7.779         7.779         7.650         0.129
RESID 119 (K):        N       117.419       117.419       120.627        -3.208
RESID 119 (K):       HA         3.741         3.741         4.063        -0.322
RESID 119 (K):        C       178.034       178.034       178.954        -0.920
RESID 119 (K):       CA        60.446        60.446        59.830         0.616
RESID 119 (K):       CB        32.524        32.524        32.090         0.434
RESID 119 (K):        H         8.723         8.723         8.555         0.168
RESID 120 (F):        N       117.618       117.618       116.558         1.060
RESID 120 (F):       HA         4.662         4.662         4.421         0.241
RESID 120 (F):       CA        60.444        60.444        60.323         0.121
RESID 120 (F):       CB        38.788        38.788        38.109         0.679
RESID 120 (F):        H         7.819         7.819         7.424         0.395
RESID 121 (E):        N       119.300       119.300       119.025         0.275
RESID 121 (E):       HA         3.793         3.793         4.065        -0.272
RESID 121 (E):        C       177.602       177.602       178.154        -0.552
RESID 121 (E):       CA        59.453        59.453        59.321         0.132
RESID 121 (E):       CB        29.815        29.815        29.437         0.378
RESID 121 (E):        H         7.898         7.898         7.694         0.204
RESID 122 (V):        N       112.645       112.645       117.423        -4.778
RESID 122 (V):       HA         3.939         3.939         3.963        -0.024
RESID 122 (V):        C       177.072       177.072       176.732         0.340
RESID 122 (V):       CA        64.288        64.288        64.102         0.186
RESID 122 (V):       CB        33.050        33.050        32.648         0.402
RESID 122 (V):        H         7.668         7.668         7.551         0.117
RESID 123 (F):        N       116.335       116.335       117.929        -1.594
RESID 123 (F):       HA         5.020         5.020         4.643         0.377
RESID 123 (F):        C       177.796       177.796       177.143         0.653
RESID 123 (F):       CA        56.368        56.368        59.195        -2.827
RESID 123 (F):       CB        40.644        40.644        39.952         0.692
RESID 123 (F):        H         8.632         8.632         8.974        -0.342
RESID 124 (G):        N       112.227       112.227       109.523         2.704
RESID 124 (G):        C       174.159       174.159       175.293        -1.134
RESID 124 (G):       CA        46.478        46.478        47.591        -1.113
RESID 124 (G):        H         7.974         7.974         8.447        -0.473
RESID 125 (D):        N       124.513       124.513       120.575         3.938
RESID 125 (D):       HA         4.613         4.613         5.013        -0.400
RESID 125 (D):        C       175.890       175.890       175.422         0.468
RESID 125 (D):       CA        54.541        54.541        54.503         0.038
RESID 125 (D):       CB        40.610        40.610        43.675        -3.065
RESID 125 (D):        H         8.650         8.650         8.984        -0.334
RESID 126 (F):        N       121.949       121.949       122.982        -1.033
RESID 126 (F):       HA         4.152         4.152         4.541        -0.389
RESID 126 (F):        C       173.533       173.533       173.719        -0.186
RESID 126 (F):       CA        58.831        58.831        58.725         0.106
RESID 126 (F):       CB        39.973        39.973        39.862         0.111
RESID 126 (F):        H         7.640         7.640         7.934        -0.294
RESID 127 (D):        N       125.341       125.341       127.622        -2.281
RESID 127 (D):       HA         4.908         4.908         4.511         0.397
RESID 127 (D):       CA        48.718        48.718        49.166        -0.448
RESID 127 (D):       CB        41.151        41.151        42.748        -1.597
RESID 127 (D):        H         7.764         7.764         8.009        -0.245
RESID 128 (P):       HA         3.722         3.722         3.900        -0.178
RESID 128 (P):        C       179.160       179.160       178.097         1.063
RESID 128 (P):       CA        63.531        63.531        64.790        -1.259
RESID 128 (P):       CB        32.580        32.580        32.135         0.446
RESID 129 (D):        N       117.916       117.916       119.856        -1.940
RESID 129 (D):       HA         4.352         4.352         4.219         0.133
RESID 129 (D):        C       178.271       178.271       178.220         0.051
RESID 129 (D):       CA        56.905        56.905        57.271        -0.366
RESID 129 (D):       CB        39.712        39.712        40.103        -0.391
RESID 129 (D):        H         7.758         7.758         7.813        -0.055
RESID 130 (Q):        N       116.475       116.475       117.504        -1.029
RESID 130 (Q):       HA         3.827         3.827         4.009        -0.182
RESID 130 (Q):        C       176.033       176.033       178.692        -2.659
RESID 130 (Q):       CA        57.050        57.050        58.236        -1.186
RESID 130 (Q):       CB        27.825        27.825        28.264        -0.439
RESID 130 (Q):        H         7.015         7.015         8.605        -1.590
RESID 131 (Y):        N       114.293       114.293       117.368        -3.075
RESID 131 (Y):       HA         4.716         4.716         4.314         0.402
RESID 131 (Y):        C       174.868       174.868       178.034        -3.166
RESID 131 (Y):       CA        57.346        57.346        57.921        -0.575
RESID 131 (Y):       CB        39.648        39.648        37.319         2.329
RESID 131 (Y):        H         6.769         6.769         7.124        -0.355
RESID 132 (E):        N       119.006       119.006       121.229        -2.223
RESID 132 (E):       HA         3.928         3.928         4.016        -0.088
RESID 132 (E):        C       178.378       178.378       178.681        -0.303
RESID 132 (E):       CA        60.171        60.171        60.184        -0.012
RESID 132 (E):       CB        30.065        30.065        29.547         0.518
RESID 132 (E):        H         6.833         6.833         8.487        -1.654
RESID 133 (E):        N       119.319       119.319       118.565         0.754
RESID 133 (E):       HA         4.022         4.022         3.974         0.048
RESID 133 (E):        C       177.728       177.728       178.643        -0.915
RESID 133 (E):       CA        59.325        59.325        59.164         0.161
RESID 133 (E):       CB        28.294        28.294        29.040        -0.746
RESID 133 (E):        H         8.611         8.611         7.720         0.891
RESID 134 (E):        N       122.908       122.908       120.375         2.533
RESID 134 (E):       HA         3.826         3.826         3.954        -0.128
RESID 134 (E):        C       177.780       177.780       178.718        -0.938
RESID 134 (E):       CA        59.062        59.062        58.958         0.104
RESID 134 (E):       CB        28.532        28.532        29.574        -1.042
RESID 134 (E):        H         8.094         8.094         7.511         0.583
RESID 135 (V):        N       118.079       118.079       119.738        -1.659
RESID 135 (V):       HA         3.342         3.342         3.390        -0.048
RESID 135 (V):        C       177.633       177.633       177.249         0.384
RESID 135 (V):       CA        65.657        65.657        65.515         0.142
RESID 135 (V):       CB        31.449        31.449        31.369         0.080
RESID 135 (V):        H         8.085         8.085         7.653         0.432
RESID 136 (R):        N       117.865       117.865       120.329        -2.464
RESID 136 (R):       HA         3.125         3.125         3.819        -0.694
RESID 136 (R):        C       179.034       179.034       178.135         0.899
RESID 136 (R):       CA        59.253        59.253        59.937        -0.684
RESID 136 (R):       CB        29.856        29.856        30.103        -0.247
RESID 136 (R):        H         7.456         7.456         7.572        -0.116
RESID 137 (E):        N       120.727       120.727       117.599         3.128
RESID 137 (E):       HA         3.714         3.714         4.093        -0.379
RESID 137 (E):        C       178.690       178.690       178.552         0.138
RESID 137 (E):       CA        59.274        59.274        58.475         0.799
RESID 137 (E):       CB        29.360        29.360        29.469        -0.109
RESID 137 (E):        H         8.517         8.517         7.673         0.844
RESID 138 (R):        N       115.311       115.311       118.529        -3.218
RESID 138 (R):       HA         3.567         3.567         3.866        -0.299
RESID 138 (R):        C       178.897       178.897       177.882         1.015
RESID 138 (R):       CA        58.754        58.754        58.597         0.157
RESID 138 (R):       CB        29.960        29.960        30.229        -0.269
RESID 138 (R):        H         8.090         8.090         7.399         0.691
RESID 139 (W):        N       114.241       114.241       116.803        -2.562
RESID 139 (W):       HA         5.078         5.078         4.848         0.230
RESID 139 (W):        C       177.169       177.169       177.897        -0.728
RESID 139 (W):       CA        56.174        56.174        57.372        -1.198
RESID 139 (W):       CB        28.194        28.194        29.789        -1.595
RESID 139 (W):        H         7.805         7.805         8.232        -0.427
RESID 140 (G):        N       110.185       110.185       109.699         0.486
RESID 140 (G):        C       173.518       173.518       174.070        -0.552
RESID 140 (G):       CA        46.717        46.717        46.787        -0.070
RESID 140 (G):        H         7.639         7.639         7.991        -0.352
RESID 141 (N):        N       116.211       116.211       114.798         1.413
RESID 141 (N):       HA         5.069         5.069         4.835         0.234
RESID 141 (N):        C       175.838       175.838       173.965         1.873
RESID 141 (N):       CA        52.249        52.249        52.555        -0.306
RESID 141 (N):       CB        38.104        38.104        39.030        -0.926
RESID 141 (N):        H         8.387         8.387         8.258         0.129
RESID 142 (T):        N       110.347       110.347       115.215        -4.868
RESID 142 (T):       HA         4.704         4.704         4.523         0.181
RESID 142 (T):        C       175.832       175.832       175.798         0.034
RESID 142 (T):       CA        61.180        61.180        61.184        -0.004
RESID 142 (T):       CB        72.857        72.857        70.445         2.412
RESID 142 (T):        H         7.907         7.907         7.769         0.138
RESID 143 (D):        N       123.392       123.392       127.220        -3.828
RESID 143 (D):       HA         4.565         4.565         4.331         0.234
RESID 143 (D):        C       178.225       178.225       177.205         1.020
RESID 143 (D):       CA        57.387        57.387        56.964         0.423
RESID 143 (D):       CB        40.346        40.346        40.067         0.279
RESID 143 (D):        H         8.985         8.985         8.693         0.292
RESID 144 (A):        N       122.309       122.309       122.567        -0.258
RESID 144 (A):       HA         3.963         3.963         3.659         0.304
RESID 144 (A):        C       179.688       179.688       178.906         0.782
RESID 144 (A):       CA        55.136        55.136        54.350         0.786
RESID 144 (A):       CB        17.566        17.566        17.292         0.274
RESID 144 (A):        H         8.476         8.476         7.845         0.631
RESID 145 (Y):        N       117.438       117.438       118.701        -1.263
RESID 145 (Y):       HA         4.283         4.283         4.355        -0.072
RESID 145 (Y):        C       177.433       177.433       177.514        -0.081
RESID 145 (Y):       CA        62.243        62.243        60.737         1.506
RESID 145 (Y):       CB        40.171        40.171        38.152         2.019
RESID 145 (Y):        H         8.432         8.432         8.166         0.266
RESID 146 (R):        N       119.518       119.518       116.918         2.600
RESID 146 (R):       HA         3.847         3.847         3.728         0.119
RESID 146 (R):        C       179.450       179.450       178.774         0.676
RESID 146 (R):       CA        60.242        60.242        59.682         0.560
RESID 146 (R):       CB        30.115        30.115        29.590         0.525
RESID 146 (R):        H         7.787         7.787         7.766         0.021
RESID 147 (Q):        N       118.457       118.457       118.476        -0.019
RESID 147 (Q):       HA         4.101         4.101         4.063         0.038
RESID 147 (Q):        C       178.807       178.807       178.277         0.530
RESID 147 (Q):       CA        59.183        59.183        58.956         0.227
RESID 147 (Q):       CB        28.878        28.878        28.356         0.522
RESID 147 (Q):        H         8.960         8.960         7.751         1.209
RESID 148 (S):        N       115.758       115.758       116.233        -0.475
RESID 148 (S):       HA         4.979         4.979         4.181         0.798
RESID 148 (S):        C       178.074       178.074       176.617         1.457
RESID 148 (S):       CA        61.511        61.511        62.369        -0.858
RESID 148 (S):       CB        63.392        63.392        62.726         0.666
RESID 148 (S):        H         8.604         8.604         7.642         0.962
RESID 149 (K):        N       125.190       125.190       121.243         3.947
RESID 149 (K):       HA         4.022         4.022         3.908         0.114
RESID 149 (K):        C       178.788       178.788       179.017        -0.229
RESID 149 (K):       CA        58.707        58.707        59.582        -0.875
RESID 149 (K):       CB        31.465        31.465        32.218        -0.753
RESID 149 (K):        H         8.405         8.405         7.349         1.056
RESID 150 (E):        N       118.050       118.050       119.224        -1.174
RESID 150 (E):       HA         4.023         4.023         3.986         0.037
RESID 150 (E):        C       179.065       179.065       178.729         0.336
RESID 150 (E):       CA        58.880        58.880        59.227        -0.346
RESID 150 (E):       CB        29.660        29.660        29.566         0.094
RESID 150 (E):        H         7.509         7.509         7.802        -0.293
RESID 151 (K):        N       118.439       118.439       115.393         3.046
RESID 151 (K):       HA         3.782         3.782         4.066        -0.284
RESID 151 (K):        C       178.865       178.865       178.507         0.358
RESID 151 (K):       CA        59.365        59.365        58.085         1.280
RESID 151 (K):       CB        32.923        32.923        32.327         0.597
RESID 151 (K):        H         8.296         8.296         8.086         0.210
RESID 152 (T):        N       106.470       106.470       115.658        -9.188
RESID 152 (T):       HA         4.407         4.407         3.651         0.756
RESID 152 (T):       CA        63.772        63.772        65.131        -1.359
RESID 152 (T):       CB        70.040        70.040        68.629         1.411
RESID 152 (T):        H         8.304         8.304         8.173         0.131
RESID 153 (A):        N       123.491       123.491       123.065         0.426
RESID 153 (A):       HA         4.252         4.252         4.158         0.094
RESID 153 (A):        C       178.775       178.775       178.437         0.338
RESID 153 (A):       CA        54.906        54.906        54.654         0.252
RESID 153 (A):       CB        18.604        18.604        18.447         0.157
RESID 153 (A):        H         7.318         7.318         7.496        -0.178
RESID 154 (S):        N       108.783       108.783       111.990        -3.207
RESID 154 (S):       HA         4.569         4.569         4.367         0.202
RESID 154 (S):        C       174.926       174.926       174.703         0.223
RESID 154 (S):       CA        57.983        57.983        59.045        -1.062
RESID 154 (S):        H         7.295         7.295         7.588        -0.293
RESID 155 (Y):        N       121.552       121.552       121.805        -0.253
RESID 155 (Y):       HA         5.148         5.148         4.712         0.436
RESID 155 (Y):        C       177.850       177.850       176.329         1.521
RESID 155 (Y):       CA        54.351        54.351        56.409        -2.058
RESID 155 (Y):       CB        36.657        36.657        37.931        -1.274
RESID 155 (Y):        H         7.129         7.129         7.377        -0.248
RESID 156 (T):        N       116.123       116.123       117.947        -1.824
RESID 156 (T):       HA         4.817         4.817         4.675         0.142
RESID 156 (T):        C       175.913       175.913       175.473         0.440
RESID 156 (T):       CA        60.021        60.021        60.315        -0.294
RESID 156 (T):       CB        72.051        72.051        71.625         0.426
RESID 156 (T):        H         9.749         9.749         8.000         1.749
RESID 157 (K):        N       121.193       121.193       123.174        -1.981
RESID 157 (K):       HA         3.874         3.874         4.064        -0.190
RESID 157 (K):        C       177.224       177.224       178.676        -1.452
RESID 157 (K):       CA        61.575        61.575        60.840         0.735
RESID 157 (K):       CB        31.986        31.986        32.391        -0.405
RESID 157 (K):        H         9.322         9.322         8.863         0.459
RESID 158 (E):        N       115.842       115.842       117.108        -1.266
RESID 158 (E):       HA         4.015         4.015         3.991         0.024
RESID 158 (E):        C       179.589       179.589       178.796         0.793
RESID 158 (E):       CA        59.880        59.880        60.088        -0.208
RESID 158 (E):       CB        28.939        28.939        28.560         0.379
RESID 158 (E):        H         8.414         8.414         8.788        -0.374
RESID 159 (D):        N       119.833       119.833       120.191        -0.358
RESID 159 (D):       HA         4.145         4.145         4.196        -0.051
RESID 159 (D):        C       177.210       177.210       178.279        -1.069
RESID 159 (D):       CA        57.273        57.273        56.616         0.657
RESID 159 (D):       CB        40.562        40.562        39.660         0.902
RESID 159 (D):        H         7.341         7.341         7.358        -0.017
RESID 160 (W):        N       117.696       117.696       120.988        -3.292
RESID 160 (W):       HA         4.227         4.227         4.184         0.043
RESID 160 (W):        C       178.283       178.283       178.320        -0.037
RESID 160 (W):       CA        60.400        60.400        60.002         0.398
RESID 160 (W):       CB        29.643        29.643        29.430         0.213
RESID 160 (W):        H         7.892         7.892         7.469         0.423
RESID 161 (Q):        N       118.386       118.386       119.489        -1.103
RESID 161 (Q):       HA         3.841         3.841         3.831         0.010
RESID 161 (Q):        C       177.368       177.368       178.011        -0.643
RESID 161 (Q):       CA        58.701        58.701        59.094        -0.393
RESID 161 (Q):       CB        28.879        28.879        28.314         0.565
RESID 161 (Q):        H         8.665         8.665         8.556         0.109
RESID 162 (R):        N       120.270       120.270       119.640         0.630
RESID 162 (R):       HA         4.039         4.039         4.033         0.006
RESID 162 (R):        C       178.441       178.441       179.052        -0.611
RESID 162 (R):       CA        59.688        59.688        59.192         0.496
RESID 162 (R):       CB        28.707        28.707        29.915        -1.208
RESID 162 (R):        H         7.530         7.530         7.572        -0.042
RESID 163 (I):        N       119.856       119.856       120.739        -0.883
RESID 163 (I):       HA         3.272         3.272         3.672        -0.400
RESID 163 (I):        C       179.233       179.233       178.015         1.218
RESID 163 (I):       CA        65.686        65.686        65.026         0.660
RESID 163 (I):       CB        38.278        38.278        37.928         0.350
RESID 163 (I):        H         7.971         7.971         7.740         0.231
RESID 164 (Q):        N       121.268       121.268       119.015         2.253
RESID 164 (Q):       HA         4.266         4.266         3.910         0.356
RESID 164 (Q):        C       178.794       178.794       178.768         0.026
RESID 164 (Q):       CA        58.115        58.115        58.838        -0.723
RESID 164 (Q):       CB        29.475        29.475        27.659         1.816
RESID 164 (Q):        H         8.601         8.601         8.793        -0.192
RESID 165 (D):        N       122.162       122.162       118.423         3.739
RESID 165 (D):       HA         4.428         4.428         4.541        -0.113
RESID 165 (D):        C       179.896       179.896       178.747         1.149
RESID 165 (D):       CA        57.546        57.546        57.553        -0.007
RESID 165 (D):       CB        39.524        39.524        40.210        -0.686
RESID 165 (D):        H         8.711         8.711         8.561         0.150
RESID 166 (E):        N       121.227       121.227       120.193         1.034
RESID 166 (E):       HA         3.956         3.956         4.058        -0.102
RESID 166 (E):        C       180.125       180.125       178.192         1.933
RESID 166 (E):       CA        59.288        59.288        59.108         0.179
RESID 166 (E):       CB        29.458        29.458        29.266         0.192
RESID 166 (E):        H         8.566         8.566         7.673         0.893
RESID 167 (A):        N       123.246       123.246       121.975         1.271
RESID 167 (A):       HA         4.255         4.255         3.896         0.359
RESID 167 (A):        C       180.675       180.675       179.768         0.907
RESID 167 (A):       CA        55.207        55.207        55.251        -0.044
RESID 167 (A):       CB        18.141        18.141        18.071         0.070
RESID 167 (A):        H         7.929         7.929         7.826         0.103
RESID 168 (D):        N       120.476       120.476       119.028         1.448
RESID 168 (D):       HA         4.441         4.441         4.236         0.205
RESID 168 (D):        C       178.499       178.499       178.716        -0.217
RESID 168 (D):       CA        57.433        57.433        57.245         0.188
RESID 168 (D):       CB        40.758        40.758        39.956         0.802
RESID 168 (D):        H         8.670         8.670         8.148         0.522
RESID 169 (E):        N       120.325       120.325       120.417        -0.092
RESID 169 (E):       HA         4.041         4.041         4.015         0.026
RESID 169 (E):        C       178.994       178.994       178.747         0.247
RESID 169 (E):       CA        59.375        59.375        58.938         0.438
RESID 169 (E):       CB        28.864        28.864        29.382        -0.518
RESID 169 (E):        H         8.079         8.079         7.919         0.160
RESID 170 (L):        N       120.582       120.582       118.476         2.106
RESID 170 (L):       HA         4.131         4.131         3.833         0.298
RESID 170 (L):        C       179.013       179.013       178.433         0.580
RESID 170 (L):       CA        58.045        58.045        57.705         0.340
RESID 170 (L):       CB        41.675        41.675        41.668         0.007
RESID 170 (L):        H         7.615         7.615         8.085        -0.470
RESID 171 (T):        N       118.834       118.834       115.871         2.963
RESID 171 (T):       HA         4.036         4.036         3.778         0.258
RESID 171 (T):        C       175.899       175.899       176.529        -0.630
RESID 171 (T):       CA        68.163        68.163        66.928         1.235
RESID 171 (T):       CB        68.338        68.338        68.562        -0.224
RESID 171 (T):        H         8.815         8.815         7.866         0.949
RESID 172 (R):        N       118.894       118.894       121.751        -2.857
RESID 172 (R):       HA         3.885         3.885         3.899        -0.014
RESID 172 (R):        C       179.660       179.660       178.881         0.779
RESID 172 (R):       CA        60.269        60.269        60.131         0.138
RESID 172 (R):       CB        29.990        29.990        30.092        -0.102
RESID 172 (R):        H         8.249         8.249         8.446        -0.197
RESID 173 (R):        N       120.681       120.681       118.706         1.975
RESID 173 (R):       HA         4.030         4.030         4.184        -0.154
RESID 173 (R):        C       179.645       179.645       178.997         0.648
RESID 173 (R):       CA        59.615        59.615        59.163         0.452
RESID 173 (R):       CB        30.566        30.566        29.724         0.842
RESID 173 (R):        H         7.961         7.961         8.169        -0.208
RESID 174 (F):        N       118.546       118.546       119.542        -0.996
RESID 174 (F):       HA         4.292         4.292         4.362        -0.070
RESID 174 (F):        C       178.154       178.154       178.209        -0.055
RESID 174 (F):       CA        63.590        63.590        59.235         4.355
RESID 174 (F):       CB        40.383        40.383        38.147         2.236
RESID 174 (F):        H         8.548         8.548         7.886         0.662
RESID 175 (V):        N       118.935       118.935       120.413        -1.478
RESID 175 (V):       HA         3.373         3.373         3.536        -0.163
RESID 175 (V):        C       177.099       177.099       177.554        -0.455
RESID 175 (V):       CA        67.334        67.334        67.203         0.131
RESID 175 (V):       CB        31.745        31.745        31.586         0.159
RESID 175 (V):        H         8.770         8.770         8.628         0.142
RESID 176 (A):        N       120.243       120.243       122.517        -2.274
RESID 176 (A):       HA         4.162         4.162         4.155         0.007
RESID 176 (A):        C       181.643       181.643       178.942         2.701
RESID 176 (A):       CA        55.105        55.105        55.162        -0.057
RESID 176 (A):       CB        17.765        17.765        18.619        -0.854
RESID 176 (A):        H         7.967         7.967         7.965         0.002
RESID 177 (L):        N       121.411       121.411       115.848         5.563
RESID 177 (L):       HA         3.938         3.938         4.432        -0.494
RESID 177 (L):        C       178.694       178.694       178.078         0.616
RESID 177 (L):       CA        58.611        58.611        57.002         1.609
RESID 177 (L):       CB        41.513        41.513        42.405        -0.892
RESID 177 (L):        H         7.634         7.634         7.796        -0.162
RESID 178 (M):        N       118.652       118.652       119.596        -0.944
RESID 178 (M):       HA         3.564         3.564         3.768        -0.204
RESID 178 (M):        C       181.569       181.569       178.591         2.978
RESID 178 (M):       CA        59.718        59.718        59.289         0.429
RESID 178 (M):       CB        33.450        33.450        32.295         1.155
RESID 178 (M):        H         7.940         7.940         8.185        -0.245
RESID 179 (D):        N       121.310       121.310       120.325         0.985
RESID 179 (D):       HA         4.371         4.371         4.386        -0.015
RESID 179 (D):        C       177.730       177.730       176.745         0.985
RESID 179 (D):       CA        56.932        56.932        56.446         0.486
RESID 179 (D):       CB        39.826        39.826        40.742        -0.916
RESID 179 (D):        H         9.022         9.022         8.243         0.779
RESID 180 (A):        N       120.199       120.199       120.108         0.091
RESID 180 (A):       HA         4.357         4.357         4.325         0.032
RESID 180 (A):        C       177.935       177.935       177.972        -0.037
RESID 180 (A):       CA        52.276        52.276        51.721         0.555
RESID 180 (A):       CB        19.028        19.028        18.461         0.567
RESID 180 (A):        H         7.667         7.667         7.794        -0.127
RESID 181 (G):        N       107.115       107.115       107.580        -0.465
RESID 181 (G):        C       175.650       175.650       174.752         0.898
RESID 181 (G):       CA        45.480        45.480        45.784        -0.304
RESID 181 (G):        H         7.916         7.916         7.759         0.157
RESID 182 (E):        N       120.055       120.055       121.158        -1.103
RESID 182 (E):       HA         4.701         4.701         4.618         0.083
RESID 182 (E):       CA        54.158        54.158        53.565         0.594
RESID 182 (E):       CB        28.461        28.461        30.772        -2.311
RESID 182 (E):        H         7.887         7.887         7.744         0.143
RESID 183 (P):       HA         4.729         4.729         4.573         0.156
RESID 183 (P):        C       177.156       177.156       176.755         0.401
RESID 183 (P):       CA        62.595        62.595        62.695        -0.100
RESID 183 (P):       CB        33.002        33.002        32.525         0.477
RESID 184 (A):        N       124.966       124.966       122.188         2.778
RESID 184 (A):       HA         3.372         3.372         3.738        -0.366
RESID 184 (A):        C       173.383       173.383       177.429        -4.046
RESID 184 (A):       CA        54.234        54.234        53.506         0.728
RESID 184 (A):       CB        19.100        19.100        17.982         1.119
RESID 184 (A):        H         9.082         9.082         8.391         0.691
RESID 185 (D):        N       107.028       107.028       114.858        -7.830
RESID 185 (D):       HA         4.474         4.474         4.687        -0.213
RESID 185 (D):        C       176.790       176.790       176.018         0.772
RESID 185 (D):       CA        50.914        50.914        52.544        -1.630
RESID 185 (D):       CB        39.354        39.354        41.209        -1.855
RESID 185 (D):        H         7.364         7.364         8.325        -0.961
RESID 186 (S):        N       113.421       113.421       115.068        -1.647
RESID 186 (S):       HA         4.328         4.328         4.448        -0.120
RESID 186 (S):        C       174.699       174.699       175.517        -0.818
RESID 186 (S):       CA        57.769        57.769        57.826        -0.057
RESID 186 (S):       CB        65.781        65.781        64.864         0.917
RESID 186 (S):        H         7.676         7.676         7.382         0.294
RESID 187 (E):        N       121.832       121.832       123.174        -1.342
RESID 187 (E):       HA         3.698         3.698         4.018        -0.320
RESID 187 (E):        C       178.242       178.242       178.901        -0.659
RESID 187 (E):       CA        60.525        60.525        60.275         0.250
RESID 187 (E):       CB        29.271        29.271        29.201         0.070
RESID 187 (E):        H         9.064         9.064         8.939         0.125
RESID 188 (G):        N       103.385       103.385       106.379        -2.994
RESID 188 (G):        C       176.865       176.865       175.416         1.449
RESID 188 (G):       CA        47.142        47.142        46.712         0.430
RESID 188 (G):        H         8.688         8.688         8.043         0.645
RESID 189 (A):        N       125.710       125.710       124.906         0.804
RESID 189 (A):       HA         4.040         4.040         4.100        -0.060
RESID 189 (A):        C       179.646       179.646       179.428         0.218
RESID 189 (A):       CA        55.511        55.511        54.822         0.689
RESID 189 (A):       CB        18.211        18.211        18.493        -0.282
RESID 189 (A):        H         7.716         7.716         7.298         0.418
RESID 190 (M):        N       117.503       117.503       116.861         0.642
RESID 190 (M):       HA         4.060         4.060         4.149        -0.089
RESID 190 (M):        C       178.705       178.705       177.956         0.749
RESID 190 (M):       CA        60.473        60.473        58.703         1.770
RESID 190 (M):       CB        33.599        33.599        32.346         1.254
RESID 190 (M):        H         8.569         8.569         8.703        -0.134
RESID 191 (D):        N       119.826       119.826       120.246        -0.420
RESID 191 (D):       HA         4.276         4.276         4.769        -0.493
RESID 191 (D):        C       178.528       178.528       178.450         0.078
RESID 191 (D):       CA        57.152        57.152        57.031         0.122
RESID 191 (D):       CB        39.009        39.009        39.992        -0.984
RESID 191 (D):        H         8.820         8.820         8.114         0.706
RESID 192 (A):        N       123.880       123.880       123.113         0.767
RESID 192 (A):       HA         3.905         3.905         4.455        -0.550
RESID 192 (A):        C       179.032       179.032       179.773        -0.741
RESID 192 (A):       CA        55.448        55.448        55.110         0.338
RESID 192 (A):       CB        15.703        15.703        18.165        -2.462
RESID 192 (A):        H         7.544         7.544         7.220         0.324
RESID 193 (A):        N       120.855       120.855       121.047        -0.192
RESID 193 (A):       HA         4.358         4.358         4.002         0.356
RESID 193 (A):        C       179.427       179.427       179.712        -0.285
RESID 193 (A):       CA        55.521        55.521        55.234         0.287
RESID 193 (A):       CB        18.361        18.361        18.089         0.272
RESID 193 (A):        H         8.435         8.435         7.803         0.632
RESID 194 (E):        N       122.123       122.123       119.268         2.855
RESID 194 (E):       HA         4.375         4.375         4.020         0.355
RESID 194 (E):        C       178.565       178.565       179.213        -0.648
RESID 194 (E):       CA        58.780        58.780        60.211        -1.431
RESID 194 (E):       CB        27.301        27.301        29.461        -2.160
RESID 194 (E):        H         8.778         8.778         7.901         0.877
RESID 195 (D):        N       121.253       121.253       119.175         2.078
RESID 195 (D):       HA         4.408         4.408         4.421        -0.013
RESID 195 (D):        C       179.882       179.882       178.408         1.474
RESID 195 (D):       CA        57.421        57.421        57.717        -0.296
RESID 195 (D):       CB        39.518        39.518        40.529        -1.011
RESID 195 (D):        H         8.213         8.213         8.281        -0.068
RESID 196 (H):        N       124.862       124.862       120.949         3.913
RESID 196 (H):       HA         4.172         4.172         4.288        -0.116
RESID 196 (H):        C       177.779       177.779       177.572         0.207
RESID 196 (H):       CA        61.442        61.442        60.078         1.364
RESID 196 (H):       CB        31.474        31.474        30.574         0.900
RESID 196 (H):        H         8.857         8.857         8.410         0.447
RESID 197 (R):        N       123.019       123.019       120.481         2.538
RESID 197 (R):       HA         3.001         3.001         4.235        -1.234
RESID 197 (R):        C       178.632       178.632       178.863        -0.231
RESID 197 (R):       CA        60.121        60.121        58.824         1.297
RESID 197 (R):       CB        30.529        30.529        29.207         1.322
RESID 197 (R):        H         8.371         8.371         9.071        -0.700
RESID 198 (Q):        N       114.857       114.857       118.956        -4.099
RESID 198 (Q):       HA         3.780         3.780         3.971        -0.191
RESID 198 (Q):        C       179.002       179.002       178.402         0.600
RESID 198 (Q):       CA        58.513        58.513        59.100        -0.587
RESID 198 (Q):       CB        27.753        27.753        28.538        -0.784
RESID 198 (Q):        H         8.283         8.283         8.673        -0.390
RESID 199 (G):        N       109.227       109.227       106.477         2.750
RESID 199 (G):        C       175.335       175.335       175.899        -0.564
RESID 199 (G):       CA        46.966        46.966        46.184         0.782
RESID 199 (G):        H         8.177         8.177         7.994         0.183
RESID 200 (I):        N       123.036       123.036       122.854         0.182
RESID 200 (I):       HA         3.493         3.493         3.675        -0.182
RESID 200 (I):        C       178.329       178.329       176.926         1.403
RESID 200 (I):       CA        64.940        64.940        63.858         1.082
RESID 200 (I):       CB        36.330        36.330        37.975        -1.645
RESID 200 (I):        H         7.474         7.474         8.421        -0.947
RESID 201 (A):        N       121.122       121.122       121.217        -0.095
RESID 201 (A):       HA         4.501         4.501         4.356         0.145
RESID 201 (A):        C       179.480       179.480       179.344         0.136
RESID 201 (A):       CA        53.082        53.082        54.724        -1.641
RESID 201 (A):       CB        18.054        18.054        18.663        -0.609
RESID 201 (A):        H         7.739         7.739         8.057        -0.318
RESID 202 (R):        N       115.981       115.981       116.908        -0.927
RESID 202 (R):       HA         3.853         3.853         4.121        -0.268
RESID 202 (R):        C       177.874       177.874       178.218        -0.344
RESID 202 (R):       CA        58.391        58.391        58.669        -0.278
RESID 202 (R):       CB        31.163        31.163        30.041         1.122
RESID 202 (R):        H         7.968         7.968         7.652         0.316
RESID 203 (N):        N       111.860       111.860       116.933        -5.073
RESID 203 (N):       HA         4.362         4.362         4.553        -0.191
RESID 203 (N):        C       175.317       175.317       176.697        -1.380
RESID 203 (N):       CA        53.644        53.644        56.499        -2.855
RESID 203 (N):       CB        40.307        40.307        38.780         1.527
RESID 203 (N):        H         7.591         7.591         8.122        -0.531
RESID 204 (H):        N       118.469       118.469       116.130         2.339
RESID 204 (H):       HA         4.670         4.670         4.868        -0.198
RESID 204 (H):        C       172.483       172.483       174.342        -1.859
RESID 204 (H):       CA        59.079        59.079        56.250         2.829
RESID 204 (H):       CB        33.877        33.877        31.584         2.293
RESID 204 (H):        H         8.389         8.389         8.223         0.166
RESID 205 (Y):        N       111.831       111.831       114.406        -2.575
RESID 205 (Y):       HA         4.363         4.363         4.612        -0.249
RESID 205 (Y):        C       173.387       173.387       172.923         0.464
RESID 205 (Y):       CA        56.400        56.400        54.464         1.936
RESID 205 (Y):       CB        39.523        39.523        39.432         0.091
RESID 205 (Y):        H         7.240         7.240         5.460         1.780
RESID 206 (D):        N       117.047       117.047       118.351        -1.304
RESID 206 (D):       HA         4.033         4.033         4.588        -0.555
RESID 206 (D):        C       175.864       175.864       175.399         0.465
RESID 206 (D):       CA        56.391        56.391        54.738         1.653
RESID 206 (D):       CB        40.166        40.166        40.343        -0.177
RESID 206 (D):        H         8.304         8.304         8.427        -0.123
RESID 207 (C):        N       125.983       125.983       122.327         3.656
RESID 207 (C):       HA         4.694         4.694         4.790        -0.096
RESID 207 (C):        C       172.708       172.708       174.625        -1.917
RESID 207 (C):       CA        57.910        57.910        57.804         0.106
RESID 207 (C):       CB        26.861        26.861        31.767        -4.905
RESID 207 (C):        H         7.581         7.581         8.143        -0.562
RESID 208 (G):        N       113.288       113.288       109.618         3.670
RESID 208 (G):        C       173.509       173.509       175.225        -1.716
RESID 208 (G):       CA        44.579        44.579        43.826         0.753
RESID 208 (G):        H         8.359         8.359         8.014         0.345
RESID 209 (Y):        N       116.731       116.731       118.573        -1.842
RESID 209 (Y):       HA         3.965         3.965         4.154        -0.189
RESID 209 (Y):        C       177.981       177.981       177.132         0.849
RESID 209 (Y):       CA        64.964        64.964        59.137         5.827
RESID 209 (Y):       CB        38.046        38.046        38.246        -0.200
RESID 209 (Y):        H         8.283         8.283         8.560        -0.277
RESID 210 (E):        N       119.927       119.927       118.522         1.405
RESID 210 (E):       HA         4.089         4.089         4.356        -0.267
RESID 210 (E):        C       178.511       178.511       177.934         0.577
RESID 210 (E):       CA        60.166        60.166        58.056         2.110
RESID 210 (E):       CB        28.747        28.747        28.387         0.360
RESID 210 (E):        H         8.870         8.870         8.747         0.123
RESID 211 (M):        N       120.242       120.242       119.021         1.221
RESID 211 (M):       HA         3.914         3.914         4.397        -0.483
RESID 211 (M):       CA        57.257        57.257        57.147         0.110
RESID 211 (M):       CB        31.938        31.938        31.714         0.224
RESID 211 (M):        H         8.047         8.047         8.147        -0.100
RESID 212 (H):        N       120.018       120.018       119.689         0.329
RESID 212 (H):       HA         3.977         3.977         3.937         0.040
RESID 212 (H):        C       178.034       178.034       177.707         0.327
RESID 212 (H):       CA        59.099        59.099        59.266        -0.167
RESID 212 (H):       CB        33.381        33.381        29.665         3.716
RESID 212 (H):        H         8.647         8.647         7.851         0.796
RESID 213 (T):        N       107.780       107.780       113.448        -5.668
RESID 213 (T):       HA         3.775         3.775         3.967        -0.192
RESID 213 (T):        C       176.569       176.569       176.286         0.283
RESID 213 (T):       CA        65.841        65.841        66.854        -1.013
RESID 213 (T):       CB        68.584        68.584        68.819        -0.235
RESID 213 (T):        H         8.140         8.140         7.866         0.274
RESID 214 (C):        N       120.727       120.727       120.974        -0.247
RESID 214 (C):       HA         4.039         4.039         4.577        -0.538
RESID 214 (C):       CA        63.078        63.078        61.551         1.527
RESID 214 (C):        H         7.337         7.337         7.804        -0.467
RESID 215 (L):        N       121.760       121.760       122.237        -0.477
RESID 215 (L):       HA         3.406         3.406         4.010        -0.604
RESID 215 (L):        C       176.549       176.549       178.223        -1.674
RESID 215 (L):       CA        57.581        57.581        57.775        -0.194
RESID 215 (L):       CB        40.459        40.459        40.815        -0.355
RESID 215 (L):        H         7.696         7.696         8.803        -1.107
RESID 216 (G):        N       101.717       101.717       105.971        -4.254
RESID 216 (G):        C       174.717       174.717       175.812        -1.095
RESID 216 (G):       CA        47.445        47.445        47.188         0.257
RESID 216 (G):        H         7.849         7.849         8.199        -0.350
RESID 217 (E):        N       115.126       115.126       119.076        -3.950
RESID 217 (E):       HA         4.021         4.021         4.030        -0.009
RESID 217 (E):        C       179.892       179.892       177.454         2.438
RESID 217 (E):       CA        58.378        58.378        58.253         0.125
RESID 217 (E):       CB        28.933        28.933        29.310        -0.377
RESID 217 (E):        H         7.572         7.572         7.699        -0.127
RESID 218 (M):        N       123.032       123.032       119.674         3.358
RESID 218 (M):       HA         3.993         3.993         4.244        -0.251
RESID 218 (M):        C       177.036       177.036       177.771        -0.735
RESID 218 (M):       CA        58.596        58.596        58.180         0.416
RESID 218 (M):       CB        32.582        32.582        34.137        -1.555
RESID 218 (M):        H         7.495         7.495         7.725        -0.230
RESID 219 (Y):        N       115.483       115.483       116.740        -1.257
RESID 219 (Y):       HA         4.174         4.174         4.526        -0.352
RESID 219 (Y):        C       176.350       176.350       177.412        -1.062
RESID 219 (Y):       CA        56.530        56.530        57.198        -0.668
RESID 219 (Y):       CB        35.854        35.854        36.177        -0.323
RESID 219 (Y):        H         7.521         7.521         8.471        -0.950
RESID 220 (V):        N       109.054       109.054       118.192        -9.138
RESID 220 (V):       HA         4.022         4.022         3.860         0.162
RESID 220 (V):        C       176.266       176.266       176.599        -0.333
RESID 220 (V):       CA        62.095        62.095        63.355        -1.260
RESID 220 (V):       CB        32.980        32.980        32.008         0.972
RESID 220 (V):        H         6.817         6.817         7.640        -0.823
RESID 221 (S):        N       115.276       115.276       114.371         0.905
RESID 221 (S):       HA         4.368         4.368         4.390        -0.022
RESID 221 (S):        C       174.071       174.071       174.922        -0.851
RESID 221 (S):       CA        59.950        59.950        59.743         0.207
RESID 221 (S):       CB        63.608        63.608        63.807        -0.199
RESID 221 (S):        H         8.278         8.278         7.877         0.401
RESID 222 (D):        N       122.686       122.686       121.696         0.990
RESID 222 (D):       HA         4.962         4.962         4.829         0.133
RESID 222 (D):        C       176.246       176.246       176.523        -0.277
RESID 222 (D):       CA        52.489        52.489        53.446        -0.957
RESID 222 (D):       CB        41.604        41.604        41.971        -0.367
RESID 222 (D):        H         8.238         8.238         7.883         0.355
RESID 223 (E):        N       124.836       124.836       124.399         0.437
RESID 223 (E):       HA         4.306         4.306         4.016         0.290
RESID 223 (E):        C       177.201       177.201       178.218        -1.017
RESID 223 (E):       CA        58.566        58.566        60.157        -1.591
RESID 223 (E):       CB        29.326        29.326        29.358        -0.031
RESID 223 (E):        H         8.932         8.932         8.984        -0.052
RESID 224 (R):        N       117.537       117.537       118.718        -1.181
RESID 224 (R):       HA         4.102         4.102         4.056         0.046
RESID 224 (R):        C       181.161       181.161       177.904         3.257
RESID 224 (R):       CA        58.642        58.642        59.097        -0.455
RESID 224 (R):       CB        30.996        30.996        29.810         1.186
RESID 224 (R):        H         8.429         8.429         8.565        -0.136
RESID 225 (F):        N       116.733       116.733       118.529        -1.796
RESID 225 (F):       HA         4.149         4.149         4.443        -0.294
RESID 225 (F):        C       177.880       177.880       177.428         0.452
RESID 225 (F):       CA        60.916        60.916        61.671        -0.755
RESID 225 (F):       CB        39.728        39.728        38.967         0.761
RESID 225 (F):        H         7.830         7.830         7.784         0.046
RESID 226 (T):        N       116.162       116.162       116.337        -0.175
RESID 226 (T):       HA         3.637         3.637         3.711        -0.074
RESID 226 (T):        C       176.142       176.142       176.212        -0.070
RESID 226 (T):       CA        67.025        67.025        68.072        -1.047
RESID 226 (T):       CB        68.865        68.865        68.497         0.368
RESID 226 (T):        H         8.182         8.182         7.848         0.334
RESID 227 (R):        N       115.469       115.469       120.089        -4.620
RESID 227 (R):       HA         3.984         3.984         4.452        -0.468
RESID 227 (R):        C       178.758       178.758       178.056         0.702
RESID 227 (R):       CA        59.109        59.109        58.911         0.198
RESID 227 (R):       CB        30.331        30.331        30.059         0.272
RESID 227 (R):        H         8.388         8.388         8.024         0.364
RESID 228 (N):        N       116.518       116.518       117.604        -1.086
RESID 228 (N):       HA         4.637         4.637         4.619         0.018
RESID 228 (N):        C       177.791       177.791       177.232         0.559
RESID 228 (N):       CA        55.214        55.214        55.612        -0.398
RESID 228 (N):       CB        38.118        38.118        38.830        -0.712
RESID 228 (N):        H         6.883         6.883         7.493        -0.610
RESID 229 (I):        N       122.529       122.529       118.899         3.630
RESID 229 (I):       HA         3.824         3.824         3.873        -0.049
RESID 229 (I):        C       178.564       178.564       177.530         1.034
RESID 229 (I):       CA        65.206        65.206        64.702         0.504
RESID 229 (I):       CB        39.514        39.514        38.419         1.095
RESID 229 (I):        H         8.636         8.636         8.430         0.206
RESID 230 (D):        N       118.458       118.458       119.979        -1.521
RESID 230 (D):       HA         4.686         4.686         4.501         0.185
RESID 230 (D):        C       177.491       177.491       177.930        -0.439
RESID 230 (D):       CA        55.594        55.594        55.626        -0.032
RESID 230 (D):       CB        38.864        38.864        39.642        -0.778
RESID 230 (D):        H         8.866         8.866         8.595         0.271
RESID 231 (A):        N       123.132       123.132       122.390         0.742
RESID 231 (A):       HA         4.053         4.053         4.078        -0.025
RESID 231 (A):        C       179.554       179.554       178.409         1.145
RESID 231 (A):       CA        54.925        54.925        54.557         0.368
RESID 231 (A):       CB        18.199        18.199        17.920         0.279
RESID 231 (A):        H         7.074         7.074         7.670        -0.596
RESID 232 (A):        N       116.232       116.232       118.689        -2.457
RESID 232 (A):       HA         4.203         4.203         4.292        -0.089
RESID 232 (A):        C       178.208       178.208       177.089         1.119
RESID 232 (A):       CA        53.686        53.686        52.528         1.158
RESID 232 (A):       CB        19.446        19.446        20.053        -0.608
RESID 232 (A):        H         7.505         7.505         7.716        -0.211
RESID 233 (K):        N       116.503       116.503       118.587        -2.084
RESID 233 (K):       HA         4.464         4.464         4.692        -0.228
RESID 233 (K):       CA        54.363        54.363        53.346         1.017
RESID 233 (K):       CB        34.836        34.836        33.258         1.578
RESID 233 (K):        H         6.678         6.678         7.875        -1.197
RESID 234 (P):       HA         4.277         4.277         4.282        -0.005
RESID 234 (P):        C       177.398       177.398       177.750        -0.352
RESID 234 (P):       CA        64.067        64.067        64.532        -0.465
RESID 234 (P):       CB        31.749        31.749        31.323         0.426
RESID 235 (G):        N       112.543       112.543       111.316         1.227
RESID 235 (G):        C       174.848       174.848       176.002        -1.154
RESID 235 (G):       CA        45.098        45.098        45.165        -0.067
RESID 235 (G):        H         8.705         8.705         8.391         0.314
RESID 236 (L):        N       126.659       126.659       123.655         3.004
RESID 236 (L):       HA         4.270         4.270         4.174         0.096
RESID 236 (L):        C       177.242       177.242       178.066        -0.824
RESID 236 (L):       CA        57.890        57.890        57.550         0.340
RESID 236 (L):       CB        41.658        41.658        41.607         0.051
RESID 236 (L):        H         7.919         7.919         8.335        -0.416
RESID 237 (A):        N       126.005       126.005       120.359         5.646
RESID 237 (A):       HA         3.745         3.745         3.860        -0.115
RESID 237 (A):        C       179.077       179.077       179.008         0.069
RESID 237 (A):       CA        56.464        56.464        54.891         1.573
RESID 237 (A):       CB        17.932        17.932        17.500         0.432
RESID 237 (A):        H        10.901        10.901         8.551         2.350
RESID 238 (A):        N       118.189       118.189       121.157        -2.968
RESID 238 (A):       HA         3.764         3.764         4.069        -0.305
RESID 238 (A):        C       178.967       178.967       178.819         0.148
RESID 238 (A):       CA        54.549        54.549        54.626        -0.077
RESID 238 (A):       CB        17.675        17.675        18.495        -0.820
RESID 238 (A):        H         8.168         8.168         7.592         0.576
RESID 239 (Y):        N       121.259       121.259       120.234         1.025
RESID 239 (Y):       HA         4.073         4.073         4.146        -0.073
RESID 239 (Y):        C       177.802       177.802       177.775         0.027
RESID 239 (Y):       CA        62.144        62.144        61.836         0.308
RESID 239 (Y):       CB        39.874        39.874        38.510         1.364
RESID 239 (Y):        H         7.940         7.940         7.656         0.284
RESID 240 (M):        N       116.383       116.383       118.547        -2.164
RESID 240 (M):       HA         3.300         3.300         4.064        -0.764
RESID 240 (M):        C       177.926       177.926       178.408        -0.482
RESID 240 (M):       CA        60.325        60.325        59.673         0.652
RESID 240 (M):       CB        33.236        33.236        32.622         0.614
RESID 240 (M):        H         9.169         9.169         8.774         0.395
RESID 241 (R):        N       118.201       118.201       120.579        -2.378
RESID 241 (R):       HA         3.397         3.397         4.020        -0.623
RESID 241 (R):        C       178.188       178.188       178.476        -0.288
RESID 241 (R):       CA        60.728        60.728        59.411         1.317
RESID 241 (R):       CB        28.104        28.104        29.672        -1.568
RESID 241 (R):        H         8.479         8.479         7.837         0.642
RESID 242 (D):        N       119.314       119.314       118.738         0.576
RESID 242 (D):       HA         4.165         4.165         4.383        -0.218
RESID 242 (D):        C       178.707       178.707       178.316         0.391
RESID 242 (D):       CA        57.489        57.489        56.887         0.602
RESID 242 (D):       CB        39.827        39.827        40.153        -0.326
RESID 242 (D):        H         8.016         8.016         8.201        -0.185
RESID 243 (A):        N       127.195       127.195       123.094         4.101
RESID 243 (A):       HA         4.399         4.399         4.202         0.197
RESID 243 (A):        C       179.891       179.891       179.653         0.238
RESID 243 (A):       CA        54.946        54.946        54.502         0.444
RESID 243 (A):       CB        19.100        19.100        18.522         0.578
RESID 243 (A):        H         8.620         8.620         7.612         1.008
RESID 244 (I):        N       120.697       120.697       119.539         1.158
RESID 244 (I):       HA         3.540         3.540         3.275         0.265
RESID 244 (I):        C       179.591       179.591       177.325         2.266
RESID 244 (I):       CA        65.737        65.737        64.753         0.984
RESID 244 (I):       CB        37.579        37.579        38.009        -0.430
RESID 244 (I):        H         8.871         8.871         7.811         1.060
RESID 245 (L):        N       121.753       121.753       120.021         1.732
RESID 245 (L):       HA         3.987         3.987         3.788         0.199
RESID 245 (L):        C       179.065       179.065       179.104        -0.039
RESID 245 (L):       CA        58.462        58.462        58.099         0.363
RESID 245 (L):       CB        41.173        41.173        41.571        -0.397
RESID 245 (L):        H         8.311         8.311         7.674         0.637
RESID 246 (A):        N       121.174       121.174       120.013         1.161
RESID 246 (A):       HA         4.081         4.081         3.922         0.159
RESID 246 (A):        C       180.864       180.864       179.482         1.382
RESID 246 (A):       CA        55.306        55.306        55.123         0.183
RESID 246 (A):       CB        16.939        16.939        18.087        -1.148
RESID 246 (A):        H         8.100         8.100         7.689         0.411
RESID 247 (N):        N       117.391       117.391       117.543        -0.152
RESID 247 (N):       HA         4.582         4.582         4.347         0.235
RESID 247 (N):        C       177.205       177.205       177.281        -0.076
RESID 247 (N):       CA        56.362        56.362        56.369        -0.007
RESID 247 (N):       CB        40.264        40.264        38.143         2.121
RESID 247 (N):        H         8.948         8.948         7.506         1.442
RESID 248 (A):        N       124.544       124.544       121.640         2.904
RESID 248 (A):       HA         3.917         3.917         4.056        -0.139
RESID 248 (A):        C       180.931       180.931       178.742         2.189
RESID 248 (A):       CA        55.851        55.851        54.596         1.255
RESID 248 (A):       CB        17.991        17.991        18.634        -0.643
RESID 248 (A):        H         8.432         8.432         8.132         0.300
RESID 249 (V):        N       120.469       120.469       117.169         3.300
RESID 249 (V):       HA         3.575         3.575         3.880        -0.305
RESID 249 (V):        C       179.608       179.608       178.647         0.961
RESID 249 (V):       CA        66.636        66.636        65.300         1.336
RESID 249 (V):       CB        31.449        31.449        31.909        -0.460
RESID 249 (V):        H         8.214         8.214         7.376         0.838
RESID 250 (R):        N       116.667       116.667       117.649        -0.982
RESID 250 (R):       HA         4.269         4.269         4.227         0.042
RESID 250 (R):        C       176.251       176.251       177.429        -1.178
RESID 250 (R):       CA        57.938        57.938        56.890         1.048
RESID 250 (R):       CB        28.897        28.897        30.154        -1.257
RESID 250 (R):        H         7.583         7.583         8.019        -0.436
RESID 251 (H):        N       115.928       115.928       115.003         0.925
RESID 251 (H):       HA         4.472         4.472         4.455         0.017
RESID 251 (H):        C       173.245       173.245       175.011        -1.766
RESID 251 (H):       CA        56.667        56.667        55.963         0.704
RESID 251 (H):       CB        28.543        28.543        29.125        -0.582
RESID 251 (H):        H         7.163         7.163         8.269        -1.106
RESID 252 (T):        N       118.280       118.280       115.320         2.960
RESID 252 (T):       HA         4.517         4.517         4.521        -0.004
RESID 252 (T):       CA        60.673        60.673        59.138         1.535
RESID 252 (T):       CB        70.034        70.034        69.773         0.261
RESID 252 (T):        H         7.449         7.449         7.187         0.262

                         N          HA           C          CA          CB           H
RESID 113 (N):      -2.538      -0.060       0.227      -0.157      -0.936      -0.058
RESID 114 (L):      -2.148       0.206       1.414      -0.456       0.341      -0.005
RESID 115 (T):       1.981      -0.009       -----       2.272      -1.458       1.109
RESID 116 (P):       -----       0.201       0.614       0.425      -0.099       -----
RESID 117 (E):       1.316      -0.129       0.532       1.217      -0.459      -0.038
RESID 118 (E):       1.041      -0.207      -0.043       0.744       2.556       0.129
RESID 119 (K):      -3.208      -0.322      -0.920       0.616       0.434       0.168
RESID 120 (F):       1.060       0.241       -----       0.121       0.679       0.395
RESID 121 (E):       0.275      -0.272      -0.552       0.132       0.378       0.204
RESID 122 (V):      -4.778      -0.024       0.340       0.186       0.402       0.117
RESID 123 (F):      -1.594       0.377       0.653      -2.827       0.692      -0.342
RESID 124 (G):       2.704       -----      -1.134      -1.113       -----      -0.473
RESID 125 (D):       3.938      -0.400       0.468       0.038      -3.065      -0.334
RESID 126 (F):      -1.033      -0.389      -0.186       0.106       0.111      -0.294
RESID 127 (D):      -2.281       0.397       -----      -0.448      -1.597      -0.245
RESID 128 (P):       -----      -0.178       1.063      -1.259       0.446       -----
RESID 129 (D):      -1.940       0.133       0.051      -0.366      -0.391      -0.055
RESID 130 (Q):      -1.029      -0.182      -2.659      -1.186      -0.439      -1.590
RESID 131 (Y):      -3.075       0.402      -3.166      -0.575       2.329      -0.355
RESID 132 (E):      -2.223      -0.088      -0.303      -0.012       0.518      -1.654
RESID 133 (E):       0.754       0.048      -0.915       0.161      -0.746       0.891
RESID 134 (E):       2.533      -0.128      -0.938       0.104      -1.042       0.583
RESID 135 (V):      -1.659      -0.048       0.384       0.142       0.080       0.432
RESID 136 (R):      -2.464      -0.694       0.899      -0.684      -0.247      -0.116
RESID 137 (E):       3.128      -0.379       0.138       0.799      -0.109       0.844
RESID 138 (R):      -3.218      -0.299       1.015       0.157      -0.269       0.691
RESID 139 (W):      -2.562       0.230      -0.728      -1.198      -1.595      -0.427
RESID 140 (G):       0.486       -----      -0.552      -0.070       -----      -0.352
RESID 141 (N):       1.413       0.234       1.873      -0.306      -0.926       0.129
RESID 142 (T):      -4.868       0.181       0.034      -0.004       2.412       0.138
RESID 143 (D):      -3.828       0.234       1.020       0.423       0.279       0.292
RESID 144 (A):      -0.258       0.304       0.782       0.786       0.274       0.631
RESID 145 (Y):      -1.263      -0.072      -0.081       1.506       2.019       0.266
RESID 146 (R):       2.600       0.119       0.676       0.560       0.525       0.021
RESID 147 (Q):      -0.019       0.038       0.530       0.227       0.522       1.209
RESID 148 (S):      -0.475       0.798       1.457      -0.858       0.666       0.962
RESID 149 (K):       3.947       0.114      -0.229      -0.875      -0.753       1.056
RESID 150 (E):      -1.174       0.037       0.336      -0.346       0.094      -0.293
RESID 151 (K):       3.046      -0.284       0.358       1.280       0.597       0.210
RESID 152 (T):      -9.188       0.756       -----      -1.359       1.411       0.131
RESID 153 (A):       0.426       0.094       0.338       0.252       0.157      -0.178
RESID 154 (S):      -3.207       0.202       0.223      -1.062       -----      -0.293
RESID 155 (Y):      -0.253       0.436       1.521      -2.058      -1.274      -0.248
RESID 156 (T):      -1.824       0.142       0.440      -0.294       0.426       1.749
RESID 157 (K):      -1.981      -0.190      -1.452       0.735      -0.405       0.459
RESID 158 (E):      -1.266       0.024       0.793      -0.208       0.379      -0.374
RESID 159 (D):      -0.358      -0.051      -1.069       0.657       0.902      -0.017
RESID 160 (W):      -3.292       0.043      -0.037       0.398       0.213       0.423
RESID 161 (Q):      -1.103       0.010      -0.643      -0.393       0.565       0.109
RESID 162 (R):       0.630       0.006      -0.611       0.496      -1.208      -0.042
RESID 163 (I):      -0.883      -0.400       1.218       0.660       0.350       0.231
RESID 164 (Q):       2.253       0.356       0.026      -0.723       1.816      -0.192
RESID 165 (D):       3.739      -0.113       1.149      -0.007      -0.686       0.150
RESID 166 (E):       1.034      -0.102       1.933       0.179       0.192       0.893
RESID 167 (A):       1.271       0.359       0.907      -0.044       0.070       0.103
RESID 168 (D):       1.448       0.205      -0.217       0.188       0.802       0.522
RESID 169 (E):      -0.092       0.026       0.247       0.438      -0.518       0.160
RESID 170 (L):       2.106       0.298       0.580       0.340       0.007      -0.470
RESID 171 (T):       2.963       0.258      -0.630       1.235      -0.224       0.949
RESID 172 (R):      -2.857      -0.014       0.779       0.138      -0.102      -0.197
RESID 173 (R):       1.975      -0.154       0.648       0.452       0.842      -0.208
RESID 174 (F):      -0.996      -0.070      -0.055       4.355       2.236       0.662
RESID 175 (V):      -1.478      -0.163      -0.455       0.131       0.159       0.142
RESID 176 (A):      -2.274       0.007       2.701      -0.057      -0.854       0.002
RESID 177 (L):       5.563      -0.494       0.616       1.609      -0.892      -0.162
RESID 178 (M):      -0.944      -0.204       2.978       0.429       1.155      -0.245
RESID 179 (D):       0.985      -0.015       0.985       0.486      -0.916       0.779
RESID 180 (A):       0.091       0.032      -0.037       0.555       0.567      -0.127
RESID 181 (G):      -0.465       -----       0.898      -0.304       -----       0.157
RESID 182 (E):      -1.103       0.083       -----       0.594      -2.311       0.143
RESID 183 (P):       -----       0.156       0.401      -0.100       0.477       -----
RESID 184 (A):       2.778      -0.366      -4.046       0.728       1.119       0.691
RESID 185 (D):      -7.830      -0.213       0.772      -1.630      -1.855      -0.961
RESID 186 (S):      -1.647      -0.120      -0.818      -0.057       0.917       0.294
RESID 187 (E):      -1.342      -0.320      -0.659       0.250       0.070       0.125
RESID 188 (G):      -2.994       -----       1.449       0.430       -----       0.645
RESID 189 (A):       0.804      -0.060       0.218       0.689      -0.282       0.418
RESID 190 (M):       0.642      -0.089       0.749       1.770       1.254      -0.134
RESID 191 (D):      -0.420      -0.493       0.078       0.122      -0.984       0.706
RESID 192 (A):       0.767      -0.550      -0.741       0.338      -2.462       0.324
RESID 193 (A):      -0.192       0.356      -0.285       0.287       0.272       0.632
RESID 194 (E):       2.855       0.355      -0.648      -1.431      -2.160       0.877
RESID 195 (D):       2.078      -0.013       1.474      -0.296      -1.011      -0.068
RESID 196 (H):       3.913      -0.116       0.207       1.364       0.900       0.447
RESID 197 (R):       2.538      -1.234      -0.231       1.297       1.322      -0.700
RESID 198 (Q):      -4.099      -0.191       0.600      -0.587      -0.784      -0.390
RESID 199 (G):       2.750       -----      -0.564       0.782       -----       0.183
RESID 200 (I):       0.182      -0.182       1.403       1.082      -1.645      -0.947
RESID 201 (A):      -0.095       0.145       0.136      -1.641      -0.609      -0.318
RESID 202 (R):      -0.927      -0.268      -0.344      -0.278       1.122       0.316
RESID 203 (N):      -5.073      -0.191      -1.380      -2.855       1.527      -0.531
RESID 204 (H):       2.339      -0.198      -1.859       2.829       2.293       0.166
RESID 205 (Y):      -2.575      -0.249       0.464       1.936       0.091       1.780
RESID 206 (D):      -1.304      -0.555       0.465       1.653      -0.177      -0.123
RESID 207 (C):       3.656      -0.096      -1.917       0.106      -4.905      -0.562
RESID 208 (G):       3.670       -----      -1.716       0.753       -----       0.345
RESID 209 (Y):      -1.842      -0.189       0.849       5.827      -0.200      -0.277
RESID 210 (E):       1.405      -0.267       0.577       2.110       0.360       0.123
RESID 211 (M):       1.221      -0.483       -----       0.110       0.224      -0.100
RESID 212 (H):       0.329       0.040       0.327      -0.167       3.716       0.796
RESID 213 (T):      -5.668      -0.192       0.283      -1.013      -0.235       0.274
RESID 214 (C):      -0.247      -0.538       -----       1.527       -----      -0.467
RESID 215 (L):      -0.477      -0.604      -1.674      -0.194      -0.355      -1.107
RESID 216 (G):      -4.254       -----      -1.095       0.257       -----      -0.350
RESID 217 (E):      -3.950      -0.009       2.438       0.125      -0.377      -0.127
RESID 218 (M):       3.358      -0.251      -0.735       0.416      -1.555      -0.230
RESID 219 (Y):      -1.257      -0.352      -1.062      -0.668      -0.323      -0.950
RESID 220 (V):      -9.138       0.162      -0.333      -1.260       0.972      -0.823
RESID 221 (S):       0.905      -0.022      -0.851       0.207      -0.199       0.401
RESID 222 (D):       0.990       0.133      -0.277      -0.957      -0.367       0.355
RESID 223 (E):       0.437       0.290      -1.017      -1.591      -0.031      -0.052
RESID 224 (R):      -1.181       0.046       3.257      -0.455       1.186      -0.136
RESID 225 (F):      -1.796      -0.294       0.452      -0.755       0.761       0.046
RESID 226 (T):      -0.175      -0.074      -0.070      -1.047       0.368       0.334
RESID 227 (R):      -4.620      -0.468       0.702       0.198       0.272       0.364
RESID 228 (N):      -1.086       0.018       0.559      -0.398      -0.712      -0.610
RESID 229 (I):       3.630      -0.049       1.034       0.504       1.095       0.206
RESID 230 (D):      -1.521       0.185      -0.439      -0.032      -0.778       0.271
RESID 231 (A):       0.742      -0.025       1.145       0.368       0.279      -0.596
RESID 232 (A):      -2.457      -0.089       1.119       1.158      -0.608      -0.211
RESID 233 (K):      -2.084      -0.228       -----       1.017       1.578      -1.197
RESID 234 (P):       -----      -0.005      -0.352      -0.465       0.426       -----
RESID 235 (G):       1.227       -----      -1.154      -0.067       -----       0.314
RESID 236 (L):       3.004       0.096      -0.824       0.340       0.051      -0.416
RESID 237 (A):       5.646      -0.115       0.069       1.573       0.432       2.350
RESID 238 (A):      -2.968      -0.305       0.148      -0.077      -0.820       0.576
RESID 239 (Y):       1.025      -0.073       0.027       0.308       1.364       0.284
RESID 240 (M):      -2.164      -0.764      -0.482       0.652       0.614       0.395
RESID 241 (R):      -2.378      -0.623      -0.288       1.317      -1.568       0.642
RESID 242 (D):       0.576      -0.218       0.391       0.602      -0.326      -0.185
RESID 243 (A):       4.101       0.197       0.238       0.444       0.578       1.008
RESID 244 (I):       1.158       0.265       2.266       0.984      -0.430       1.060
RESID 245 (L):       1.732       0.199      -0.039       0.363      -0.397       0.637
RESID 246 (A):       1.161       0.159       1.382       0.183      -1.148       0.411
RESID 247 (N):      -0.152       0.235      -0.076      -0.007       2.121       1.442
RESID 248 (A):       2.904      -0.139       2.189       1.255      -0.643       0.300
RESID 249 (V):       3.300      -0.305       0.961       1.336      -0.460       0.838
RESID 250 (R):      -0.982       0.042      -1.178       1.048      -1.257      -0.436
RESID 251 (H):       0.925       0.017      -1.766       0.704      -0.582      -1.106
RESID 252 (T):       2.960      -0.004       -----       1.535       0.261       0.262

DATA CS_STAT_INFO  N  RMS:   2.680 ppm Count: 137 Average Difference:  0.260 +/- 2.678 ppm
DATA CS_STAT_INFO  HA RMS:   0.298 ppm Count: 149 Average Difference:  0.049 +/- 0.295 ppm
DATA CS_STAT_INFO  C  RMS:   1.108 ppm Count: 132 Average Difference: -0.123 +/- 1.105 ppm
DATA CS_STAT_INFO  CA RMS:   1.107 ppm Count: 141 Average Difference: -0.224 +/- 1.088 ppm
DATA CS_STAT_INFO  CB RMS:   1.160 ppm Count: 131 Average Difference: -0.035 +/- 1.164 ppm
DATA CS_STAT_INFO  HN RMS:   0.619 ppm Count: 137 Average Difference: -0.120 +/- 0.610 ppm


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

                   Atom      Original     Corrected        SPARTA    Difference
RESID 112 (I):        N       120.180       120.180       122.764        -2.584
RESID 112 (I):       HA         4.320         4.320         4.565        -0.245
RESID 112 (I):        C       176.436       176.436       175.686         0.750
RESID 112 (I):       CA        61.350        61.350        60.191         1.159
RESID 112 (I):       CB        38.688        38.688        38.696        -0.008
RESID 112 (I):        H         8.735         8.735         8.157         0.578
RESID 113 (N):        N       125.593       125.593       127.715        -2.122
RESID 113 (N):       HA         4.915         4.915         5.026        -0.111
RESID 113 (N):        C       174.326       174.326       174.165         0.161
RESID 113 (N):       CA        52.993        52.993        52.954         0.039
RESID 113 (N):       CB        37.402        37.402        38.675        -1.273
RESID 113 (N):        H         8.939         8.939         8.880         0.059
RESID 114 (L):        N       120.224       120.224       123.241        -3.017
RESID 114 (L):       HA         4.943         4.943         4.623         0.320
RESID 114 (L):        C       176.954       176.954       175.875         1.079
RESID 114 (L):       CA        53.421        53.421        54.518        -1.097
RESID 114 (L):       CB        46.761        46.761        45.116         1.645
RESID 114 (L):        H         7.667         7.667         7.815        -0.148
RESID 115 (T):        N       114.226       114.226       116.738        -2.512
RESID 115 (T):       HA         4.661         4.661         4.759        -0.098
RESID 115 (T):       CA        60.696        60.696        58.199         2.497
RESID 115 (T):       CB        67.843        67.843        71.052        -3.209
RESID 115 (T):        H         9.357         9.357         8.331         1.026
RESID 116 (P):       HA         4.150         4.150         4.025         0.125
RESID 116 (P):        C       179.425       179.425       178.101         1.324
RESID 116 (P):       CA        66.423        66.423        65.480         0.943
RESID 116 (P):       CB        31.661        31.661        31.546         0.115
RESID 117 (E):        N       116.894       116.894       116.555         0.339
RESID 117 (E):       HA         4.117         4.117         3.905         0.212
RESID 117 (E):        C       179.580       179.580       178.437         1.143
RESID 117 (E):       CA        60.388        60.388        58.546         1.842
RESID 117 (E):       CB        28.810        28.810        29.349        -0.539
RESID 117 (E):        H         8.731         8.731         7.666         1.065
RESID 118 (E):        N       120.845       120.845       119.714         1.131
RESID 118 (E):       HA         4.011         4.011         4.207        -0.196
RESID 118 (E):        C       178.520       178.520       178.873        -0.353
RESID 118 (E):       CA        58.955        58.955        58.118         0.837
RESID 118 (E):       CB        31.576        31.576        29.499         2.077
RESID 118 (E):        H         7.779         7.779         7.729         0.050
RESID 119 (K):        N       117.419       117.419       120.442        -3.023
RESID 119 (K):       HA         3.741         3.741         4.234        -0.493
RESID 119 (K):        C       178.034       178.034       179.255        -1.221
RESID 119 (K):       CA        60.446        60.446        59.950         0.496
RESID 119 (K):       CB        32.524        32.524        32.367         0.157
RESID 119 (K):        H         8.723         8.723         8.331         0.392
RESID 120 (F):        N       117.618       117.618       116.606         1.012
RESID 120 (F):       HA         4.662         4.662         4.450         0.212
RESID 120 (F):       CA        60.444        60.444        59.401         1.044
RESID 120 (F):       CB        38.788        38.788        38.035         0.753
RESID 120 (F):        H         7.819         7.819         8.085        -0.266
RESID 121 (E):        N       119.300       119.300       118.928         0.372
RESID 121 (E):       HA         3.793         3.793         4.194        -0.401
RESID 121 (E):        C       177.602       177.602       178.187        -0.585
RESID 121 (E):       CA        59.453        59.453        58.709         0.744
RESID 121 (E):       CB        29.815        29.815        29.624         0.191
RESID 121 (E):        H         7.898         7.898         8.162        -0.264
RESID 122 (V):        N       112.645       112.645       116.980        -4.335
RESID 122 (V):       HA         3.939         3.939         4.021        -0.082
RESID 122 (V):        C       177.072       177.072       176.072         1.000
RESID 122 (V):       CA        64.288        64.288        63.262         1.026
RESID 122 (V):       CB        33.050        33.050        32.722         0.328
RESID 122 (V):        H         7.668         7.668         7.706        -0.038
RESID 123 (F):        N       116.335       116.335       116.885        -0.550
RESID 123 (F):       HA         5.020         5.020         4.880         0.140
RESID 123 (F):        C       177.796       177.796       176.734         1.062
RESID 123 (F):       CA        56.368        56.368        58.127        -1.759
RESID 123 (F):       CB        40.644        40.644        42.119        -1.475
RESID 123 (F):        H         8.632         8.632         8.896        -0.264
RESID 124 (G):        N       112.227       112.227       109.971         2.256
RESID 124 (G):        C       174.159       174.159       174.473        -0.314
RESID 124 (G):       CA        46.478        46.478        47.379        -0.901
RESID 124 (G):        H         7.974         7.974         7.957         0.017
RESID 125 (D):        N       124.513       124.513       120.520         3.993
RESID 125 (D):       HA         4.613         4.613         4.363         0.250
RESID 125 (D):        C       175.890       175.890       174.458         1.432
RESID 125 (D):       CA        54.541        54.541        53.858         0.683
RESID 125 (D):       CB        40.610        40.610        42.276        -1.666
RESID 125 (D):        H         8.650         8.650         8.572         0.078
RESID 126 (F):        N       121.949       121.949       122.037        -0.088
RESID 126 (F):       HA         4.152         4.152         4.705        -0.553
RESID 126 (F):        C       173.533       173.533       174.350        -0.817
RESID 126 (F):       CA        58.831        58.831        58.213         0.618
RESID 126 (F):       CB        39.973        39.973        39.713         0.260
RESID 126 (F):        H         7.640         7.640         7.599         0.041
RESID 127 (D):        N       125.341       125.341       128.382        -3.041
RESID 127 (D):       HA         4.908         4.908         4.515         0.393
RESID 127 (D):       CA        48.718        48.718        48.873        -0.155
RESID 127 (D):       CB        41.151        41.151        42.426        -1.275
RESID 127 (D):        H         7.764         7.764         8.040        -0.276
RESID 128 (P):       HA         3.722         3.722         3.901        -0.179
RESID 128 (P):        C       179.160       179.160       177.785         1.375
RESID 128 (P):       CA        63.531        63.531        64.819        -1.288
RESID 128 (P):       CB        32.580        32.580        32.114         0.466
RESID 129 (D):        N       117.916       117.916       118.898        -0.982
RESID 129 (D):       HA         4.352         4.352         4.432        -0.080
RESID 129 (D):        C       178.271       178.271       178.332        -0.061
RESID 129 (D):       CA        56.905        56.905        57.231        -0.326
RESID 129 (D):       CB        39.712        39.712        40.342        -0.630
RESID 129 (D):        H         7.758         7.758         7.850        -0.092
RESID 130 (Q):        N       116.475       116.475       117.748        -1.273
RESID 130 (Q):       HA         3.827         3.827         3.834        -0.007
RESID 130 (Q):        C       176.033       176.033       178.570        -2.537
RESID 130 (Q):       CA        57.050        57.050        58.586        -1.536
RESID 130 (Q):       CB        27.825        27.825        28.688        -0.863
RESID 130 (Q):        H         7.015         7.015         8.424        -1.409
RESID 131 (Y):        N       114.293       114.293       115.720        -1.427
RESID 131 (Y):       HA         4.716         4.716         4.890        -0.174
RESID 131 (Y):        C       174.868       174.868       178.093        -3.225
RESID 131 (Y):       CA        57.346        57.346        55.944         1.401
RESID 131 (Y):       CB        39.648        39.648        37.324         2.324
RESID 131 (Y):        H         6.769         6.769         7.024        -0.255
RESID 132 (E):        N       119.006       119.006       121.870        -2.864
RESID 132 (E):       HA         3.928         3.928         3.989        -0.061
RESID 132 (E):        C       178.378       178.378       178.496        -0.118
RESID 132 (E):       CA        60.171        60.171        60.159         0.012
RESID 132 (E):       CB        30.065        30.065        29.459         0.606
RESID 132 (E):        H         6.833         6.833         8.379        -1.546
RESID 133 (E):        N       119.319       119.319       118.728         0.591
RESID 133 (E):       HA         4.022         4.022         3.953         0.069
RESID 133 (E):        C       177.728       177.728       179.017        -1.289
RESID 133 (E):       CA        59.325        59.325        59.445        -0.120
RESID 133 (E):       CB        28.294        28.294        29.036        -0.742
RESID 133 (E):        H         8.611         8.611         7.754         0.857
RESID 134 (E):        N       122.908       122.908       120.262         2.646
RESID 134 (E):       HA         3.826         3.826         3.970        -0.144
RESID 134 (E):        C       177.780       177.780       179.177        -1.397
RESID 134 (E):       CA        59.062        59.062        58.854         0.208
RESID 134 (E):       CB        28.532        28.532        29.312        -0.780
RESID 134 (E):        H         8.094         8.094         7.727         0.367
RESID 135 (V):        N       118.079       118.079       119.131        -1.052
RESID 135 (V):       HA         3.342         3.342         3.584        -0.242
RESID 135 (V):        C       177.633       177.633       177.581         0.052
RESID 135 (V):       CA        65.657        65.657        66.037        -0.380
RESID 135 (V):       CB        31.449        31.449        31.622        -0.173
RESID 135 (V):        H         8.085         8.085         8.140        -0.055
RESID 136 (R):        N       117.865       117.865       119.816        -1.951
RESID 136 (R):       HA         3.125         3.125         4.007        -0.882
RESID 136 (R):        C       179.034       179.034       177.927         1.107
RESID 136 (R):       CA        59.253        59.253        58.748         0.505
RESID 136 (R):       CB        29.856        29.856        29.828         0.028
RESID 136 (R):        H         7.456         7.456         7.747        -0.291
RESID 137 (E):        N       120.727       120.727       119.095         1.632
RESID 137 (E):       HA         3.714         3.714         4.141        -0.427
RESID 137 (E):        C       178.690       178.690       178.822        -0.132
RESID 137 (E):       CA        59.274        59.274        58.593         0.681
RESID 137 (E):       CB        29.360        29.360        29.570        -0.210
RESID 137 (E):        H         8.517         8.517         7.911         0.606
RESID 138 (R):        N       115.311       115.311       118.081        -2.770
RESID 138 (R):       HA         3.567         3.567         4.023        -0.456
RESID 138 (R):        C       178.897       178.897       177.504         1.393
RESID 138 (R):       CA        58.754        58.754        58.137         0.617
RESID 138 (R):       CB        29.960        29.960        30.552        -0.592
RESID 138 (R):        H         8.090         8.090         8.107        -0.017
RESID 139 (W):        N       114.241       114.241       117.050        -2.809
RESID 139 (W):       HA         5.078         5.078         4.862         0.216
RESID 139 (W):        C       177.169       177.169       176.777         0.392
RESID 139 (W):       CA        56.174        56.174        57.875        -1.701
RESID 139 (W):       CB        28.194        28.194        30.734        -2.540
RESID 139 (W):        H         7.805         7.805         7.388         0.417
RESID 140 (G):        N       110.185       110.185       107.746         2.439
RESID 140 (G):        C       173.518       173.518       174.305        -0.787
RESID 140 (G):       CA        46.717        46.717        46.926        -0.209
RESID 140 (G):        H         7.639         7.639         8.006        -0.367
RESID 141 (N):        N       116.211       116.211       111.806         4.405
RESID 141 (N):       HA         5.069         5.069         4.777         0.292
RESID 141 (N):        C       175.838       175.838       174.255         1.583
RESID 141 (N):       CA        52.249        52.249        52.686        -0.437
RESID 141 (N):       CB        38.104        38.104        38.389        -0.285
RESID 141 (N):        H         8.387         8.387         8.124         0.263
RESID 142 (T):        N       110.347       110.347       114.546        -4.199
RESID 142 (T):       HA         4.704         4.704         4.462         0.242
RESID 142 (T):        C       175.832       175.832       175.661         0.171
RESID 142 (T):       CA        61.180        61.180        60.777         0.403
RESID 142 (T):       CB        72.857        72.857        69.885         2.972
RESID 142 (T):        H         7.907         7.907         7.578         0.329
RESID 143 (D):        N       123.392       123.392       127.827        -4.435
RESID 143 (D):       HA         4.565         4.565         4.308         0.257
RESID 143 (D):        C       178.225       178.225       176.984         1.241
RESID 143 (D):       CA        57.387        57.387        56.947         0.440
RESID 143 (D):       CB        40.346        40.346        39.377         0.969
RESID 143 (D):        H         8.985         8.985         8.753         0.232
RESID 144 (A):        N       122.309       122.309       121.875         0.434
RESID 144 (A):       HA         3.963         3.963         3.335         0.628
RESID 144 (A):        C       179.688       179.688       179.063         0.625
RESID 144 (A):       CA        55.136        55.136        54.324         0.812
RESID 144 (A):       CB        17.566        17.566        17.114         0.452
RESID 144 (A):        H         8.476         8.476         7.849         0.627
RESID 145 (Y):        N       117.438       117.438       119.571        -2.133
RESID 145 (Y):       HA         4.283         4.283         4.157         0.126
RESID 145 (Y):        C       177.433       177.433       177.274         0.159
RESID 145 (Y):       CA        62.243        62.243        59.827         2.416
RESID 145 (Y):       CB        40.171        40.171        38.222         1.949
RESID 145 (Y):        H         8.432         8.432         7.797         0.635
RESID 146 (R):        N       119.518       119.518       118.538         0.980
RESID 146 (R):       HA         3.847         3.847         3.637         0.210
RESID 146 (R):        C       179.450       179.450       178.842         0.608
RESID 146 (R):       CA        60.242        60.242        59.132         1.110
RESID 146 (R):       CB        30.115        30.115        29.384         0.732
RESID 146 (R):        H         7.787         7.787         7.728         0.059
RESID 147 (Q):        N       118.457       118.457       118.301         0.156
RESID 147 (Q):       HA         4.101         4.101         4.068         0.033
RESID 147 (Q):        C       178.807       178.807       178.305         0.502
RESID 147 (Q):       CA        59.183        59.183        58.818         0.365
RESID 147 (Q):       CB        28.878        28.878        27.747         1.131
RESID 147 (Q):        H         8.960         8.960         7.970         0.990
RESID 148 (S):        N       115.758       115.758       115.599         0.159
RESID 148 (S):       HA         4.979         4.979         4.143         0.836
RESID 148 (S):        C       178.074       178.074       176.362         1.712
RESID 148 (S):       CA        61.511        61.511        61.836        -0.325
RESID 148 (S):       CB        63.392        63.392        62.775         0.617
RESID 148 (S):        H         8.604         8.604         7.589         1.015
RESID 149 (K):        N       125.190       125.190       119.884         5.306
RESID 149 (K):       HA         4.022         4.022         3.958         0.064
RESID 149 (K):        C       178.788       178.788       179.095        -0.307
RESID 149 (K):       CA        58.707        58.707        58.614         0.093
RESID 149 (K):       CB        31.465        31.465        31.494        -0.029
RESID 149 (K):        H         8.405         8.405         7.532         0.873
RESID 150 (E):        N       118.050       118.050       119.504        -1.454
RESID 150 (E):       HA         4.023         4.023         3.967         0.056
RESID 150 (E):        C       179.065       179.065       178.477         0.588
RESID 150 (E):       CA        58.880        58.880        59.317        -0.437
RESID 150 (E):       CB        29.660        29.660        29.641         0.019
RESID 150 (E):        H         7.509         7.509         7.946        -0.437
RESID 151 (K):        N       118.439       118.439       115.937         2.502
RESID 151 (K):       HA         3.782         3.782         4.077        -0.295
RESID 151 (K):        C       178.865       178.865       178.691         0.174
RESID 151 (K):       CA        59.365        59.365        58.153         1.212
RESID 151 (K):       CB        32.923        32.923        32.402         0.521
RESID 151 (K):        H         8.296         8.296         8.108         0.188
RESID 152 (T):        N       106.470       106.470       115.470        -9.000
RESID 152 (T):       HA         4.407         4.407         3.475         0.932
RESID 152 (T):       CA        63.772        63.772        65.492        -1.720
RESID 152 (T):       CB        70.040        70.040        68.744         1.296
RESID 152 (T):        H         8.304         8.304         8.161         0.143
RESID 153 (A):        N       123.491       123.491       123.207         0.284
RESID 153 (A):       HA         4.252         4.252         4.300        -0.048
RESID 153 (A):        C       178.775       178.775       178.631         0.144
RESID 153 (A):       CA        54.906        54.906        54.580         0.326
RESID 153 (A):       CB        18.604        18.604        18.238         0.366
RESID 153 (A):        H         7.318         7.318         7.533        -0.215
RESID 154 (S):        N       108.783       108.783       111.833        -3.050
RESID 154 (S):       HA         4.569         4.569         4.471         0.098
RESID 154 (S):        C       174.926       174.926       174.406         0.520
RESID 154 (S):       CA        57.983        57.983        58.594        -0.611
RESID 154 (S):        H         7.295         7.295         7.480        -0.185
RESID 155 (Y):        N       121.552       121.552       120.423         1.129
RESID 155 (Y):       HA         5.148         5.148         4.444         0.704
RESID 155 (Y):        C       177.850       177.850       175.425         2.425
RESID 155 (Y):       CA        54.351        54.351        56.365        -2.014
RESID 155 (Y):       CB        36.657        36.657        38.338        -1.681
RESID 155 (Y):        H         7.129         7.129         7.553        -0.424
RESID 156 (T):        N       116.123       116.123       116.668        -0.545
RESID 156 (T):       HA         4.817         4.817         4.714         0.103
RESID 156 (T):        C       175.913       175.913       175.603         0.310
RESID 156 (T):       CA        60.021        60.021        59.641         0.380
RESID 156 (T):       CB        72.051        72.051        71.059         0.992
RESID 156 (T):        H         9.749         9.749         8.069         1.680
RESID 157 (K):        N       121.193       121.193       120.955         0.238
RESID 157 (K):       HA         3.874         3.874         4.159        -0.285
RESID 157 (K):        C       177.224       177.224       178.383        -1.159
RESID 157 (K):       CA        61.575        61.575        60.191         1.384
RESID 157 (K):       CB        31.986        31.986        32.435        -0.449
RESID 157 (K):        H         9.322         9.322         8.780         0.542
RESID 158 (E):        N       115.842       115.842       118.792        -2.950
RESID 158 (E):       HA         4.015         4.015         3.965         0.050
RESID 158 (E):        C       179.589       179.589       178.494         1.095
RESID 158 (E):       CA        59.880        59.880        59.761         0.118
RESID 158 (E):       CB        28.939        28.939        28.380         0.559
RESID 158 (E):        H         8.414         8.414         8.794        -0.380
RESID 159 (D):        N       119.833       119.833       120.227        -0.394
RESID 159 (D):       HA         4.145         4.145         4.134         0.011
RESID 159 (D):        C       177.210       177.210       178.369        -1.159
RESID 159 (D):       CA        57.273        57.273        57.267         0.006
RESID 159 (D):       CB        40.562        40.562        39.620         0.942
RESID 159 (D):        H         7.341         7.341         8.370        -1.029
RESID 160 (W):        N       117.696       117.696       120.342        -2.646
RESID 160 (W):       HA         4.227         4.227         4.223         0.004
RESID 160 (W):        C       178.283       178.283       178.451        -0.168
RESID 160 (W):       CA        60.400        60.400        60.599        -0.199
RESID 160 (W):       CB        29.643        29.643        29.572         0.071
RESID 160 (W):        H         7.892         7.892         7.417         0.475
RESID 161 (Q):        N       118.386       118.386       119.747        -1.361
RESID 161 (Q):       HA         3.841         3.841         3.820         0.021
RESID 161 (Q):        C       177.368       177.368       178.266        -0.898
RESID 161 (Q):       CA        58.701        58.701        59.311        -0.610
RESID 161 (Q):       CB        28.879        28.879        28.518         0.361
RESID 161 (Q):        H         8.665         8.665         8.672        -0.007
RESID 162 (R):        N       120.270       120.270       120.315        -0.045
RESID 162 (R):       HA         4.039         4.039         4.095        -0.056
RESID 162 (R):        C       178.441       178.441       179.023        -0.582
RESID 162 (R):       CA        59.688        59.688        58.326         1.362
RESID 162 (R):       CB        28.707        28.707        29.575        -0.868
RESID 162 (R):        H         7.530         7.530         7.930        -0.400
RESID 163 (I):        N       119.856       119.856       121.055        -1.199
RESID 163 (I):       HA         3.272         3.272         3.867        -0.595
RESID 163 (I):        C       179.233       179.233       178.327         0.906
RESID 163 (I):       CA        65.686        65.686        65.271         0.415
RESID 163 (I):       CB        38.278        38.278        37.831         0.447
RESID 163 (I):        H         7.971         7.971         8.206        -0.235
RESID 164 (Q):        N       121.268       121.268       118.861         2.407
RESID 164 (Q):       HA         4.266         4.266         3.975         0.291
RESID 164 (Q):        C       178.794       178.794       178.571         0.223
RESID 164 (Q):       CA        58.115        58.115        58.948        -0.833
RESID 164 (Q):       CB        29.475        29.475        27.897         1.578
RESID 164 (Q):        H         8.601         8.601         8.747        -0.146
RESID 165 (D):        N       122.162       122.162       119.151         3.011
RESID 165 (D):       HA         4.428         4.428         4.349         0.079
RESID 165 (D):        C       179.896       179.896       178.429         1.467
RESID 165 (D):       CA        57.546        57.546        57.337         0.208
RESID 165 (D):       CB        39.524        39.524        40.428        -0.904
RESID 165 (D):        H         8.711         8.711         8.557         0.154
RESID 166 (E):        N       121.227       121.227       120.938         0.289
RESID 166 (E):       HA         3.956         3.956         4.080        -0.124
RESID 166 (E):        C       180.125       180.125       178.400         1.725
RESID 166 (E):       CA        59.288        59.288        59.101         0.187
RESID 166 (E):       CB        29.458        29.458        29.316         0.142
RESID 166 (E):        H         8.566         8.566         7.723         0.843
RESID 167 (A):        N       123.246       123.246       122.012         1.234
RESID 167 (A):       HA         4.255         4.255         3.796         0.459
RESID 167 (A):        C       180.675       180.675       179.101         1.574
RESID 167 (A):       CA        55.207        55.207        55.696        -0.489
RESID 167 (A):       CB        18.141        18.141        18.093         0.048
RESID 167 (A):        H         7.929         7.929         8.263        -0.334
RESID 168 (D):        N       120.476       120.476       119.185         1.291
RESID 168 (D):       HA         4.441         4.441         4.242         0.199
RESID 168 (D):        C       178.499       178.499       177.935         0.564
RESID 168 (D):       CA        57.433        57.433        57.365         0.068
RESID 168 (D):       CB        40.758        40.758        40.486         0.272
RESID 168 (D):        H         8.670         8.670         8.342         0.328
RESID 169 (E):        N       120.325       120.325       120.170         0.155
RESID 169 (E):       HA         4.041         4.041         3.954         0.087
RESID 169 (E):        C       178.994       178.994       178.867         0.127
RESID 169 (E):       CA        59.375        59.375        59.332         0.043
RESID 169 (E):       CB        28.864        28.864        29.628        -0.764
RESID 169 (E):        H         8.079         8.079         7.900         0.179
RESID 170 (L):        N       120.582       120.582       119.428         1.154
RESID 170 (L):       HA         4.131         4.131         3.977         0.154
RESID 170 (L):        C       179.013       179.013       178.523         0.490
RESID 170 (L):       CA        58.045        58.045        57.534         0.511
RESID 170 (L):       CB        41.675        41.675        41.770        -0.096
RESID 170 (L):        H         7.615         7.615         8.231        -0.616
RESID 171 (T):        N       118.834       118.834       116.640         2.194
RESID 171 (T):       HA         4.036         4.036         3.778         0.258
RESID 171 (T):        C       175.899       175.899       176.494        -0.595
RESID 171 (T):       CA        68.163        68.163        67.232         0.931
RESID 171 (T):       CB        68.338        68.338        68.603        -0.266
RESID 171 (T):        H         8.815         8.815         8.085         0.730
RESID 172 (R):        N       118.894       118.894       121.457        -2.563
RESID 172 (R):       HA         3.885         3.885         3.918        -0.033
RESID 172 (R):        C       179.660       179.660       178.893         0.767
RESID 172 (R):       CA        60.269        60.269        60.183         0.086
RESID 172 (R):       CB        29.990        29.990        30.079        -0.089
RESID 172 (R):        H         8.249         8.249         8.583        -0.334
RESID 173 (R):        N       120.681       120.681       118.828         1.853
RESID 173 (R):       HA         4.030         4.030         4.223        -0.193
RESID 173 (R):        C       179.645       179.645       178.999         0.646
RESID 173 (R):       CA        59.615        59.615        59.161         0.454
RESID 173 (R):       CB        30.566        30.566        29.745         0.821
RESID 173 (R):        H         7.961         7.961         7.958         0.003
RESID 174 (F):        N       118.546       118.546       119.845        -1.299
RESID 174 (F):       HA         4.292         4.292         4.435        -0.143
RESID 174 (F):        C       178.154       178.154       178.228        -0.074
RESID 174 (F):       CA        63.590        63.590        59.577         4.013
RESID 174 (F):       CB        40.383        40.383        38.141         2.242
RESID 174 (F):        H         8.548         8.548         8.087         0.461
RESID 175 (V):        N       118.935       118.935       120.418        -1.483
RESID 175 (V):       HA         3.373         3.373         3.528        -0.155
RESID 175 (V):        C       177.099       177.099       177.772        -0.673
RESID 175 (V):       CA        67.334        67.334        67.227         0.107
RESID 175 (V):       CB        31.745        31.745        31.593         0.152
RESID 175 (V):        H         8.770         8.770         8.805        -0.035
RESID 176 (A):        N       120.243       120.243       121.809        -1.566
RESID 176 (A):       HA         4.162         4.162         4.086         0.076
RESID 176 (A):        C       181.643       181.643       179.085         2.558
RESID 176 (A):       CA        55.105        55.105        55.147        -0.042
RESID 176 (A):       CB        17.765        17.765        18.815        -1.050
RESID 176 (A):        H         7.967         7.967         8.036        -0.069
RESID 177 (L):        N       121.411       121.411       115.114         6.297
RESID 177 (L):       HA         3.938         3.938         4.343        -0.405
RESID 177 (L):        C       178.694       178.694       178.357         0.337
RESID 177 (L):       CA        58.611        58.611        57.293         1.318
RESID 177 (L):       CB        41.513        41.513        42.084        -0.571
RESID 177 (L):        H         7.634         7.634         8.055        -0.421
RESID 178 (M):        N       118.652       118.652       120.452        -1.800
RESID 178 (M):       HA         3.564         3.564         3.786        -0.222
RESID 178 (M):        C       181.569       181.569       178.279         3.290
RESID 178 (M):       CA        59.718        59.718        57.650         2.068
RESID 178 (M):       CB        33.450        33.450        31.042         2.408
RESID 178 (M):        H         7.940         7.940         8.397        -0.457
RESID 179 (D):        N       121.310       121.310       121.398        -0.088
RESID 179 (D):       HA         4.371         4.371         4.365         0.006
RESID 179 (D):        C       177.730       177.730       177.084         0.646
RESID 179 (D):       CA        56.932        56.932        56.576         0.356
RESID 179 (D):       CB        39.826        39.826        40.425        -0.599
RESID 179 (D):        H         9.022         9.022         8.135         0.887
RESID 180 (A):        N       120.199       120.199       120.059         0.140
RESID 180 (A):       HA         4.357         4.357         4.261         0.096
RESID 180 (A):        C       177.935       177.935       177.827         0.108
RESID 180 (A):       CA        52.276        52.276        52.141         0.135
RESID 180 (A):       CB        19.028        19.028        18.497         0.531
RESID 180 (A):        H         7.667         7.667         7.656         0.011
RESID 181 (G):        N       107.115       107.115       106.811         0.304
RESID 181 (G):        C       175.650       175.650       174.465         1.185
RESID 181 (G):       CA        45.480        45.480        44.979         0.501
RESID 181 (G):        H         7.916         7.916         7.887         0.029
RESID 182 (E):        N       120.055       120.055       121.815        -1.760
RESID 182 (E):       HA         4.701         4.701         4.625         0.076
RESID 182 (E):       CA        54.158        54.158        53.203         0.955
RESID 182 (E):       CB        28.461        28.461        30.368        -1.907
RESID 182 (E):        H         7.887         7.887         7.655         0.232
RESID 183 (P):       HA         4.729         4.729         4.515         0.214
RESID 183 (P):        C       177.156       177.156       176.871         0.285
RESID 183 (P):       CA        62.595        62.595        62.770        -0.175
RESID 183 (P):       CB        33.002        33.002        32.351         0.651
RESID 184 (A):        N       124.966       124.966       122.521         2.445
RESID 184 (A):       HA         3.372         3.372         3.843        -0.471
RESID 184 (A):        C       173.383       173.383       177.027        -3.644
RESID 184 (A):       CA        54.234        54.234        53.851         0.383
RESID 184 (A):       CB        19.100        19.100        18.259         0.841
RESID 184 (A):        H         9.082         9.082         8.817         0.265
RESID 185 (D):        N       107.028       107.028       112.068        -5.040
RESID 185 (D):       HA         4.474         4.474         4.591        -0.117
RESID 185 (D):        C       176.790       176.790       176.064         0.726
RESID 185 (D):       CA        50.914        50.914        52.567        -1.653
RESID 185 (D):       CB        39.354        39.354        40.628        -1.274
RESID 185 (D):        H         7.364         7.364         8.317        -0.953
RESID 186 (S):        N       113.421       113.421       115.038        -1.617
RESID 186 (S):       HA         4.328         4.328         4.409        -0.081
RESID 186 (S):        C       174.699       174.699       175.734        -1.035
RESID 186 (S):       CA        57.769        57.769        57.144         0.625
RESID 186 (S):       CB        65.781        65.781        64.870         0.911
RESID 186 (S):        H         7.676         7.676         7.522         0.154
RESID 187 (E):        N       121.832       121.832       122.943        -1.111
RESID 187 (E):       HA         3.698         3.698         4.042        -0.344
RESID 187 (E):        C       178.242       178.242       179.299        -1.057
RESID 187 (E):       CA        60.525        60.525        60.369         0.156
RESID 187 (E):       CB        29.271        29.271        29.056         0.214
RESID 187 (E):        H         9.064         9.064         8.961         0.103
RESID 188 (G):        N       103.385       103.385       107.124        -3.739
RESID 188 (G):        C       176.865       176.865       175.633         1.232
RESID 188 (G):       CA        47.142        47.142        46.563         0.579
RESID 188 (G):        H         8.688         8.688         8.484         0.204
RESID 189 (A):        N       125.710       125.710       124.793         0.917
RESID 189 (A):       HA         4.040         4.040         4.066        -0.026
RESID 189 (A):        C       179.646       179.646       179.399         0.247
RESID 189 (A):       CA        55.511        55.511        54.741         0.770
RESID 189 (A):       CB        18.211        18.211        18.465        -0.254
RESID 189 (A):        H         7.716         7.716         7.320         0.396
RESID 190 (M):        N       117.503       117.503       117.244         0.259
RESID 190 (M):       HA         4.060         4.060         4.031         0.029
RESID 190 (M):        C       178.705       178.705       177.730         0.975
RESID 190 (M):       CA        60.473        60.473        58.735         1.738
RESID 190 (M):       CB        33.599        33.599        32.348         1.251
RESID 190 (M):        H         8.569         8.569         8.660        -0.091
RESID 191 (D):        N       119.826       119.826       120.013        -0.187
RESID 191 (D):       HA         4.276         4.276         4.355        -0.079
RESID 191 (D):        C       178.528       178.528       177.919         0.609
RESID 191 (D):       CA        57.152        57.152        57.468        -0.316
RESID 191 (D):       CB        39.009        39.009        41.401        -2.392
RESID 191 (D):        H         8.820         8.820         7.969         0.851
RESID 192 (A):        N       123.880       123.880       122.507         1.373
RESID 192 (A):       HA         3.905         3.905         4.108        -0.203
RESID 192 (A):        C       179.032       179.032       179.377        -0.345
RESID 192 (A):       CA        55.448        55.448        55.228         0.220
RESID 192 (A):       CB        15.703        15.703        18.004        -2.301
RESID 192 (A):        H         7.544         7.544         7.391         0.153
RESID 193 (A):        N       120.855       120.855       120.930        -0.075
RESID 193 (A):       HA         4.358         4.358         4.048         0.310
RESID 193 (A):        C       179.427       179.427       179.647        -0.220
RESID 193 (A):       CA        55.521        55.521        55.084         0.437
RESID 193 (A):       CB        18.361        18.361        18.119         0.242
RESID 193 (A):        H         8.435         8.435         7.917         0.518
RESID 194 (E):        N       122.123       122.123       118.913         3.210
RESID 194 (E):       HA         4.375         4.375         4.068         0.307
RESID 194 (E):        C       178.565       178.565       178.880        -0.315
RESID 194 (E):       CA        58.780        58.780        60.009        -1.229
RESID 194 (E):       CB        27.301        27.301        29.137        -1.835
RESID 194 (E):        H         8.778         8.778         8.012         0.766
RESID 195 (D):        N       121.253       121.253       118.923         2.330
RESID 195 (D):       HA         4.408         4.408         4.410        -0.002
RESID 195 (D):        C       179.882       179.882       178.587         1.295
RESID 195 (D):       CA        57.421        57.421        57.026         0.395
RESID 195 (D):       CB        39.518        39.518        41.028        -1.510
RESID 195 (D):        H         8.213         8.213         8.109         0.104
RESID 196 (H):        N       124.862       124.862       119.593         5.269
RESID 196 (H):       HA         4.172         4.172         4.323        -0.151
RESID 196 (H):        C       177.779       177.779       177.991        -0.212
RESID 196 (H):       CA        61.442        61.442        60.160         1.282
RESID 196 (H):       CB        31.474        31.474        30.246         1.228
RESID 196 (H):        H         8.857         8.857         8.339         0.518
RESID 197 (R):        N       123.019       123.019       119.031         3.988
RESID 197 (R):       HA         3.001         3.001         4.178        -1.177
RESID 197 (R):        C       178.632       178.632       178.997        -0.365
RESID 197 (R):       CA        60.121        60.121        59.923         0.198
RESID 197 (R):       CB        30.529        30.529        30.115         0.414
RESID 197 (R):        H         8.371         8.371         8.872        -0.501
RESID 198 (Q):        N       114.857       114.857       118.180        -3.323
RESID 198 (Q):       HA         3.780         3.780         4.294        -0.514
RESID 198 (Q):        C       179.002       179.002       178.429         0.573
RESID 198 (Q):       CA        58.513        58.513        57.548         0.965
RESID 198 (Q):       CB        27.753        27.753        28.752        -0.999
RESID 198 (Q):        H         8.283         8.283         7.950         0.333
RESID 199 (G):        N       109.227       109.227       109.495        -0.268
RESID 199 (G):        C       175.335       175.335       175.236         0.099
RESID 199 (G):       CA        46.966        46.966        46.474         0.492
RESID 199 (G):        H         8.177         8.177         8.438        -0.261
RESID 200 (I):        N       123.036       123.036       121.345         1.691
RESID 200 (I):       HA         3.493         3.493         3.968        -0.475
RESID 200 (I):        C       178.329       178.329       177.155         1.174
RESID 200 (I):       CA        64.940        64.940        62.987         1.953
RESID 200 (I):       CB        36.330        36.330        38.229        -1.899
RESID 200 (I):        H         7.474         7.474         8.068        -0.594
RESID 201 (A):        N       121.122       121.122       121.101         0.021
RESID 201 (A):       HA         4.501         4.501         4.216         0.285
RESID 201 (A):        C       179.480       179.480       179.209         0.271
RESID 201 (A):       CA        53.082        53.082        54.260        -1.178
RESID 201 (A):       CB        18.054        18.054        18.465        -0.411
RESID 201 (A):        H         7.739         7.739         7.624         0.115
RESID 202 (R):        N       115.981       115.981       116.256        -0.275
RESID 202 (R):       HA         3.853         3.853         4.292        -0.439
RESID 202 (R):        C       177.874       177.874       176.915         0.959
RESID 202 (R):       CA        58.391        58.391        57.309         1.083
RESID 202 (R):       CB        31.163        31.163        30.059         1.104
RESID 202 (R):        H         7.968         7.968         7.785         0.183
RESID 203 (N):        N       111.860       111.860       113.868        -2.008
RESID 203 (N):       HA         4.362         4.362         4.654        -0.292
RESID 203 (N):        C       175.317       175.317       174.945         0.372
RESID 203 (N):       CA        53.644        53.644        53.804        -0.160
RESID 203 (N):       CB        40.307        40.307        40.294         0.013
RESID 203 (N):        H         7.591         7.591         7.472         0.119
RESID 204 (H):        N       118.469       118.469       115.264         3.205
RESID 204 (H):       HA         4.670         4.670         4.917        -0.247
RESID 204 (H):        C       172.483       172.483       173.579        -1.096
RESID 204 (H):       CA        59.079        59.079        57.440         1.639
RESID 204 (H):       CB        33.877        33.877        33.015         0.862
RESID 204 (H):        H         8.389         8.389         7.666         0.723
RESID 205 (Y):        N       111.831       111.831       113.831        -2.000
RESID 205 (Y):       HA         4.363         4.363         4.744        -0.381
RESID 205 (Y):        C       173.387       173.387       173.683        -0.296
RESID 205 (Y):       CA        56.400        56.400        56.160         0.241
RESID 205 (Y):       CB        39.523        39.523        40.148        -0.625
RESID 205 (Y):        H         7.240         7.240         7.412        -0.172
RESID 206 (D):        N       117.047       117.047       121.785        -4.738
RESID 206 (D):       HA         4.033         4.033         4.514        -0.481
RESID 206 (D):        C       175.864       175.864       175.470         0.394
RESID 206 (D):       CA        56.391        56.391        54.608         1.783
RESID 206 (D):       CB        40.166        40.166        40.288        -0.122
RESID 206 (D):        H         8.304         8.304         8.519        -0.215
RESID 207 (C):        N       125.983       125.983       124.877         1.106
RESID 207 (C):       HA         4.694         4.694         4.721        -0.027
RESID 207 (C):        C       172.708       172.708       174.731        -2.023
RESID 207 (C):       CA        57.910        57.910        57.337         0.573
RESID 207 (C):       CB        26.861        26.861        30.610        -3.749
RESID 207 (C):        H         7.581         7.581         7.725        -0.144
RESID 208 (G):        N       113.288       113.288       111.131         2.157
RESID 208 (G):        C       173.509       173.509       173.980        -0.471
RESID 208 (G):       CA        44.579        44.579        44.767        -0.188
RESID 208 (G):        H         8.359         8.359         8.154         0.205
RESID 209 (Y):        N       116.731       116.731       118.721        -1.990
RESID 209 (Y):       HA         3.965         3.965         4.557        -0.592
RESID 209 (Y):        C       177.981       177.981       176.807         1.174
RESID 209 (Y):       CA        64.964        64.964        56.489         8.475
RESID 209 (Y):       CB        38.046        38.046        37.664         0.382
RESID 209 (Y):        H         8.283         8.283         8.160         0.123
RESID 210 (E):        N       119.927       119.927       123.164        -3.237
RESID 210 (E):       HA         4.089         4.089         3.966         0.123
RESID 210 (E):        C       178.511       178.511       178.282         0.229
RESID 210 (E):       CA        60.166        60.166        59.465         0.701
RESID 210 (E):       CB        28.747        28.747        30.104        -1.357
RESID 210 (E):        H         8.870         8.870         7.838         1.032
RESID 211 (M):        N       120.242       120.242       117.499         2.743
RESID 211 (M):       HA         3.914         3.914         4.159        -0.245
RESID 211 (M):       CA        57.257        57.257        58.341        -1.084
RESID 211 (M):       CB        31.938        31.938        31.265         0.673
RESID 211 (M):        H         8.047         8.047         7.584         0.463
RESID 212 (H):        N       120.018       120.018       119.751         0.267
RESID 212 (H):       HA         3.977         3.977         4.023        -0.046
RESID 212 (H):        C       178.034       178.034       177.307         0.727
RESID 212 (H):       CA        59.099        59.099        59.112        -0.013
RESID 212 (H):       CB        33.381        33.381        29.564         3.817
RESID 212 (H):        H         8.647         8.647         8.373         0.274
RESID 213 (T):        N       107.780       107.780       113.664        -5.884
RESID 213 (T):       HA         3.775         3.775         3.926        -0.151
RESID 213 (T):        C       176.569       176.569       176.531         0.038
RESID 213 (T):       CA        65.841        65.841        66.840        -0.998
RESID 213 (T):       CB        68.584        68.584        69.022        -0.438
RESID 213 (T):        H         8.140         8.140         7.775         0.365
RESID 214 (C):        N       120.727       120.727       120.728        -0.001
RESID 214 (C):       HA         4.039         4.039         4.485        -0.446
RESID 214 (C):       CA        63.078        63.078        62.154         0.924
RESID 214 (C):        H         7.337         7.337         7.996        -0.659
RESID 215 (L):        N       121.760       121.760       121.975        -0.215
RESID 215 (L):       HA         3.406         3.406         3.885        -0.479
RESID 215 (L):        C       176.549       176.549       178.944        -2.395
RESID 215 (L):       CA        57.581        57.581        57.582        -0.001
RESID 215 (L):       CB        40.459        40.459        41.132        -0.673
RESID 215 (L):        H         7.696         7.696         8.881        -1.185
RESID 216 (G):        N       101.717       101.717       106.047        -4.330
RESID 216 (G):        C       174.717       174.717       176.133        -1.416
RESID 216 (G):       CA        47.445        47.445        47.358         0.088
RESID 216 (G):        H         7.849         7.849         8.236        -0.387
RESID 217 (E):        N       115.126       115.126       121.529        -6.403
RESID 217 (E):       HA         4.021         4.021         4.007         0.014
RESID 217 (E):        C       179.892       179.892       179.144         0.748
RESID 217 (E):       CA        58.378        58.378        58.874        -0.496
RESID 217 (E):       CB        28.933        28.933        29.337        -0.404
RESID 217 (E):        H         7.572         7.572         7.777        -0.205
RESID 218 (M):        N       123.032       123.032       118.430         4.602
RESID 218 (M):       HA         3.993         3.993         4.460        -0.467
RESID 218 (M):        C       177.036       177.036       178.423        -1.387
RESID 218 (M):       CA        58.596        58.596        57.569         1.027
RESID 218 (M):       CB        32.582        32.582        32.412         0.170
RESID 218 (M):        H         7.495         7.495         8.227        -0.732
RESID 219 (Y):        N       115.483       115.483       121.792        -6.309
RESID 219 (Y):       HA         4.174         4.174         4.177        -0.003
RESID 219 (Y):        C       176.350       176.350       176.360        -0.010
RESID 219 (Y):       CA        56.530        56.530        61.276        -4.747
RESID 219 (Y):       CB        35.854        35.854        38.775        -2.921
RESID 219 (Y):        H         7.521         7.521         8.149        -0.628
RESID 220 (V):        N       109.054       109.054       115.757        -6.703
RESID 220 (V):       HA         4.022         4.022         4.255        -0.233
RESID 220 (V):        C       176.266       176.266       178.493        -2.227
RESID 220 (V):       CA        62.095        62.095        63.660        -1.565
RESID 220 (V):       CB        32.980        32.980        32.455         0.525
RESID 220 (V):        H         6.817         6.817         7.539        -0.722
RESID 221 (S):        N       115.276       115.276       116.320        -1.044
RESID 221 (S):       HA         4.368         4.368         4.262         0.106
RESID 221 (S):        C       174.071       174.071       174.674        -0.603
RESID 221 (S):       CA        59.950        59.950        61.577        -1.627
RESID 221 (S):       CB        63.608        63.608        63.359         0.249
RESID 221 (S):        H         8.278         8.278         8.093         0.185
RESID 222 (D):        N       122.686       122.686       122.803        -0.117
RESID 222 (D):       HA         4.962         4.962         4.848         0.114
RESID 222 (D):        C       176.246       176.246       176.688        -0.442
RESID 222 (D):       CA        52.489        52.489        54.094        -1.605
RESID 222 (D):       CB        41.604        41.604        40.866         0.738
RESID 222 (D):        H         8.238         8.238         7.767         0.471
RESID 223 (E):        N       124.836       124.836       124.599         0.237
RESID 223 (E):       HA         4.306         4.306         3.942         0.364
RESID 223 (E):        C       177.201       177.201       178.393        -1.192
RESID 223 (E):       CA        58.566        58.566        59.854        -1.288
RESID 223 (E):       CB        29.326        29.326        29.570        -0.244
RESID 223 (E):        H         8.932         8.932         8.579         0.353
RESID 224 (R):        N       117.537       117.537       118.164        -0.627
RESID 224 (R):       HA         4.102         4.102         4.009         0.093
RESID 224 (R):        C       181.161       181.161       178.754         2.407
RESID 224 (R):       CA        58.642        58.642        59.155        -0.513
RESID 224 (R):       CB        30.996        30.996        29.627         1.369
RESID 224 (R):        H         8.429         8.429         8.372         0.057
RESID 225 (F):        N       116.733       116.733       118.822        -2.089
RESID 225 (F):       HA         4.149         4.149         4.573        -0.424
RESID 225 (F):        C       177.880       177.880       178.235        -0.355
RESID 225 (F):       CA        60.916        60.916        61.086        -0.169
RESID 225 (F):       CB        39.728        39.728        39.268         0.460
RESID 225 (F):        H         7.830         7.830         8.571        -0.741
RESID 226 (T):        N       116.162       116.162       116.725        -0.563
RESID 226 (T):       HA         3.637         3.637         4.214        -0.577
RESID 226 (T):        C       176.142       176.142       176.300        -0.158
RESID 226 (T):       CA        67.025        67.025        67.770        -0.745
RESID 226 (T):       CB        68.865        68.865        69.025        -0.160
RESID 226 (T):        H         8.182         8.182         8.216        -0.034
RESID 227 (R):        N       115.469       115.469       121.416        -5.947
RESID 227 (R):       HA         3.984         3.984         4.424        -0.440
RESID 227 (R):        C       178.758       178.758       178.380         0.378
RESID 227 (R):       CA        59.109        59.109        59.442        -0.333
RESID 227 (R):       CB        30.331        30.331        30.331         0.000
RESID 227 (R):        H         8.388         8.388         8.598        -0.210
RESID 228 (N):        N       116.518       116.518       117.035        -0.517
RESID 228 (N):       HA         4.637         4.637         4.619         0.018
RESID 228 (N):        C       177.791       177.791       176.769         1.022
RESID 228 (N):       CA        55.214        55.214        55.560        -0.346
RESID 228 (N):       CB        38.118        38.118        38.182        -0.064
RESID 228 (N):        H         6.883         6.883         7.715        -0.832
RESID 229 (I):        N       122.529       122.529       120.837         1.692
RESID 229 (I):       HA         3.824         3.824         3.932        -0.108
RESID 229 (I):        C       178.564       178.564       177.802         0.762
RESID 229 (I):       CA        65.206        65.206        64.572         0.634
RESID 229 (I):       CB        39.514        39.514        38.610         0.904
RESID 229 (I):        H         8.636         8.636         7.487         1.149
RESID 230 (D):        N       118.458       118.458       120.074        -1.616
RESID 230 (D):       HA         4.686         4.686         4.589         0.097
RESID 230 (D):        C       177.491       177.491       178.146        -0.655
RESID 230 (D):       CA        55.594        55.594        56.172        -0.578
RESID 230 (D):       CB        38.864        38.864        39.880        -1.016
RESID 230 (D):        H         8.866         8.866         8.847         0.019
RESID 231 (A):        N       123.132       123.132       122.192         0.940
RESID 231 (A):       HA         4.053         4.053         4.079        -0.026
RESID 231 (A):        C       179.554       179.554       178.516         1.038
RESID 231 (A):       CA        54.925        54.925        54.519         0.406
RESID 231 (A):       CB        18.199        18.199        17.917         0.282
RESID 231 (A):        H         7.074         7.074         7.666        -0.592
RESID 232 (A):        N       116.232       116.232       118.890        -2.658
RESID 232 (A):       HA         4.203         4.203         4.289        -0.086
RESID 232 (A):        C       178.208       178.208       177.124         1.084
RESID 232 (A):       CA        53.686        53.686        52.627         1.059
RESID 232 (A):       CB        19.446        19.446        20.010        -0.564
RESID 232 (A):        H         7.505         7.505         7.700        -0.195
RESID 233 (K):        N       116.503       116.503       118.529        -2.026
RESID 233 (K):       HA         4.464         4.464         4.675        -0.211
RESID 233 (K):       CA        54.363        54.363        52.899         1.464
RESID 233 (K):       CB        34.836        34.836        33.671         1.165
RESID 233 (K):        H         6.678         6.678         7.885        -1.207
RESID 234 (P):       HA         4.277         4.277         4.444        -0.167
RESID 234 (P):        C       177.398       177.398       177.576        -0.178
RESID 234 (P):       CA        64.067        64.067        64.210        -0.144
RESID 234 (P):       CB        31.749        31.749        31.690         0.059
RESID 235 (G):        N       112.543       112.543       112.333         0.210
RESID 235 (G):        C       174.848       174.848       175.851        -1.003
RESID 235 (G):       CA        45.098        45.098        45.000         0.098
RESID 235 (G):        H         8.705         8.705         8.345         0.360
RESID 236 (L):        N       126.659       126.659       123.646         3.013
RESID 236 (L):       HA         4.270         4.270         4.097         0.173
RESID 236 (L):        C       177.242       177.242       177.368        -0.126
RESID 236 (L):       CA        57.890        57.890        57.683         0.207
RESID 236 (L):       CB        41.658        41.658        41.822        -0.164
RESID 236 (L):        H         7.919         7.919         7.988        -0.069
RESID 237 (A):        N       126.005       126.005       120.815         5.190
RESID 237 (A):       HA         3.745         3.745         3.818        -0.073
RESID 237 (A):        C       179.077       179.077       178.744         0.333
RESID 237 (A):       CA        56.464        56.464        55.213         1.251
RESID 237 (A):       CB        17.932        17.932        17.925         0.007
RESID 237 (A):        H        10.901        10.901         8.590         2.311
RESID 238 (A):        N       118.189       118.189       120.895        -2.706
RESID 238 (A):       HA         3.764         3.764         3.953        -0.189
RESID 238 (A):        C       178.967       178.967       178.688         0.279
RESID 238 (A):       CA        54.549        54.549        54.357         0.192
RESID 238 (A):       CB        17.675        17.675        18.565        -0.890
RESID 238 (A):        H         8.168         8.168         7.677         0.491
RESID 239 (Y):        N       121.259       121.259       120.314         0.945
RESID 239 (Y):       HA         4.073         4.073         4.093        -0.020
RESID 239 (Y):        C       177.802       177.802       177.518         0.284
RESID 239 (Y):       CA        62.144        62.144        61.615         0.529
RESID 239 (Y):       CB        39.874        39.874        38.593         1.281
RESID 239 (Y):        H         7.940         7.940         7.559         0.381
RESID 240 (M):        N       116.383       116.383       118.231        -1.848
RESID 240 (M):       HA         3.300         3.300         3.887        -0.587
RESID 240 (M):        C       177.926       177.926       178.062        -0.136
RESID 240 (M):       CA        60.325        60.325        58.825         1.500
RESID 240 (M):       CB        33.236        33.236        31.356         1.880
RESID 240 (M):        H         9.169         9.169         8.481         0.688
RESID 241 (R):        N       118.201       118.201       120.361        -2.160
RESID 241 (R):       HA         3.397         3.397         3.799        -0.402
RESID 241 (R):        C       178.188       178.188       178.430        -0.242
RESID 241 (R):       CA        60.728        60.728        59.456         1.272
RESID 241 (R):       CB        28.104        28.104        29.436        -1.332
RESID 241 (R):        H         8.479         8.479         7.298         1.181
RESID 242 (D):        N       119.314       119.314       118.200         1.114
RESID 242 (D):       HA         4.165         4.165         4.372        -0.206
RESID 242 (D):        C       178.707       178.707       178.172         0.535
RESID 242 (D):       CA        57.489        57.489        56.854         0.635
RESID 242 (D):       CB        39.827        39.827        40.614        -0.787
RESID 242 (D):        H         8.016         8.016         7.698         0.318
RESID 243 (A):        N       127.195       127.195       123.067         4.128
RESID 243 (A):       HA         4.399         4.399         4.183         0.216
RESID 243 (A):        C       179.891       179.891       179.480         0.411
RESID 243 (A):       CA        54.946        54.946        54.434         0.513
RESID 243 (A):       CB        19.100        19.100        18.310         0.790
RESID 243 (A):        H         8.620         8.620         7.617         1.003
RESID 244 (I):        N       120.697       120.697       119.582         1.115
RESID 244 (I):       HA         3.540         3.540         3.331         0.209
RESID 244 (I):        C       179.591       179.591       177.124         2.467
RESID 244 (I):       CA        65.737        65.737        64.382         1.355
RESID 244 (I):       CB        37.579        37.579        38.007        -0.428
RESID 244 (I):        H         8.871         8.871         8.230         0.641
RESID 245 (L):        N       121.753       121.753       120.209         1.544
RESID 245 (L):       HA         3.987         3.987         3.851         0.136
RESID 245 (L):        C       179.065       179.065       178.395         0.670
RESID 245 (L):       CA        58.462        58.462        57.671         0.791
RESID 245 (L):       CB        41.173        41.173        41.807        -0.634
RESID 245 (L):        H         8.311         8.311         7.845         0.466
RESID 246 (A):        N       121.174       121.174       120.236         0.938
RESID 246 (A):       HA         4.081         4.081         3.826         0.255
RESID 246 (A):        C       180.864       180.864       179.221         1.643
RESID 246 (A):       CA        55.306        55.306        55.099         0.207
RESID 246 (A):       CB        16.939        16.939        17.988        -1.049
RESID 246 (A):        H         8.100         8.100         7.723         0.377
RESID 247 (N):        N       117.391       117.391       116.851         0.540
RESID 247 (N):       HA         4.582         4.582         4.307         0.275
RESID 247 (N):        C       177.205       177.205       176.915         0.290
RESID 247 (N):       CA        56.362        56.362        55.997         0.365
RESID 247 (N):       CB        40.264        40.264        38.362         1.902
RESID 247 (N):        H         8.948         8.948         7.710         1.238
RESID 248 (A):        N       124.544       124.544       119.569         4.975
RESID 248 (A):       HA         3.917         3.917         3.968        -0.051
RESID 248 (A):        C       180.931       180.931       178.601         2.330
RESID 248 (A):       CA        55.851        55.851        54.291         1.560
RESID 248 (A):       CB        17.991        17.991        18.593        -0.602
RESID 248 (A):        H         8.432         8.432         7.514         0.918
RESID 249 (V):        N       120.469       120.469       116.588         3.881
RESID 249 (V):       HA         3.575         3.575         3.769        -0.194
RESID 249 (V):        C       179.608       179.608       178.849         0.759
RESID 249 (V):       CA        66.636        66.636        65.442         1.194
RESID 249 (V):       CB        31.449        31.449        31.509        -0.060
RESID 249 (V):        H         8.214         8.214         7.508         0.706
RESID 250 (R):        N       116.667       116.667       117.124        -0.457
RESID 250 (R):       HA         4.269         4.269         4.229         0.040
RESID 250 (R):        C       176.251       176.251       177.257        -1.006
RESID 250 (R):       CA        57.938        57.938        56.708         1.230
RESID 250 (R):       CB        28.897        28.897        29.840        -0.943
RESID 250 (R):        H         7.583         7.583         7.449         0.134
RESID 251 (H):        N       115.928       115.928       114.787         1.141
RESID 251 (H):       HA         4.472         4.472         4.559        -0.087
RESID 251 (H):        C       173.245       173.245       174.274        -1.029
RESID 251 (H):       CA        56.667        56.667        55.438         1.229
RESID 251 (H):       CB        28.543        28.543        29.079        -0.536
RESID 251 (H):        H         7.163         7.163         7.656        -0.493
RESID 252 (T):        N       118.280       118.280       115.166         3.114
RESID 252 (T):       HA         4.517         4.517         4.456         0.061
RESID 252 (T):       CA        60.673        60.673        58.708         1.965
RESID 252 (T):       CB        70.034        70.034        70.025         0.009
RESID 252 (T):        H         7.449         7.449         7.087         0.362

                         N          HA           C          CA          CB           H
RESID 113 (N):      -2.122      -0.111       0.161       0.039      -1.273       0.059
RESID 114 (L):      -3.017       0.320       1.079      -1.097       1.645      -0.148
RESID 115 (T):      -2.512      -0.098       -----       2.497      -3.209       1.026
RESID 116 (P):       -----       0.125       1.324       0.943       0.115       -----
RESID 117 (E):       0.339       0.212       1.143       1.842      -0.539       1.065
RESID 118 (E):       1.131      -0.196      -0.353       0.837       2.077       0.050
RESID 119 (K):      -3.023      -0.493      -1.221       0.496       0.157       0.392
RESID 120 (F):       1.012       0.212       -----       1.044       0.753      -0.266
RESID 121 (E):       0.372      -0.401      -0.585       0.744       0.191      -0.264
RESID 122 (V):      -4.335      -0.082       1.000       1.026       0.328      -0.038
RESID 123 (F):      -0.550       0.140       1.062      -1.759      -1.475      -0.264
RESID 124 (G):       2.256       -----      -0.314      -0.901       -----       0.017
RESID 125 (D):       3.993       0.250       1.432       0.683      -1.666       0.078
RESID 126 (F):      -0.088      -0.553      -0.817       0.618       0.260       0.041
RESID 127 (D):      -3.041       0.393       -----      -0.155      -1.275      -0.276
RESID 128 (P):       -----      -0.179       1.375      -1.288       0.466       -----
RESID 129 (D):      -0.982      -0.080      -0.061      -0.326      -0.630      -0.092
RESID 130 (Q):      -1.273      -0.007      -2.537      -1.536      -0.863      -1.409
RESID 131 (Y):      -1.427      -0.174      -3.225       1.401       2.324      -0.255
RESID 132 (E):      -2.864      -0.061      -0.118       0.012       0.606      -1.546
RESID 133 (E):       0.591       0.069      -1.289      -0.120      -0.742       0.857
RESID 134 (E):       2.646      -0.144      -1.397       0.208      -0.780       0.367
RESID 135 (V):      -1.052      -0.242       0.052      -0.380      -0.173      -0.055
RESID 136 (R):      -1.951      -0.882       1.107       0.505       0.028      -0.291
RESID 137 (E):       1.632      -0.427      -0.132       0.681      -0.210       0.606
RESID 138 (R):      -2.770      -0.456       1.393       0.617      -0.592      -0.017
RESID 139 (W):      -2.809       0.216       0.392      -1.701      -2.540       0.417
RESID 140 (G):       2.439       -----      -0.787      -0.209       -----      -0.367
RESID 141 (N):       4.405       0.292       1.583      -0.437      -0.285       0.263
RESID 142 (T):      -4.199       0.242       0.171       0.403       2.972       0.329
RESID 143 (D):      -4.435       0.257       1.241       0.440       0.969       0.232
RESID 144 (A):       0.434       0.628       0.625       0.812       0.452       0.627
RESID 145 (Y):      -2.133       0.126       0.159       2.416       1.949       0.635
RESID 146 (R):       0.980       0.210       0.608       1.110       0.732       0.059
RESID 147 (Q):       0.156       0.033       0.502       0.365       1.131       0.990
RESID 148 (S):       0.159       0.836       1.712      -0.325       0.617       1.015
RESID 149 (K):       5.306       0.064      -0.307       0.093      -0.029       0.873
RESID 150 (E):      -1.454       0.056       0.588      -0.437       0.019      -0.437
RESID 151 (K):       2.502      -0.295       0.174       1.212       0.521       0.188
RESID 152 (T):      -9.000       0.932       -----      -1.720       1.296       0.143
RESID 153 (A):       0.284      -0.048       0.144       0.326       0.366      -0.215
RESID 154 (S):      -3.050       0.098       0.520      -0.611       -----      -0.185
RESID 155 (Y):       1.129       0.704       2.425      -2.014      -1.681      -0.424
RESID 156 (T):      -0.545       0.103       0.310       0.380       0.992       1.680
RESID 157 (K):       0.238      -0.285      -1.159       1.384      -0.449       0.542
RESID 158 (E):      -2.950       0.050       1.095       0.118       0.559      -0.380
RESID 159 (D):      -0.394       0.011      -1.159       0.006       0.942      -1.029
RESID 160 (W):      -2.646       0.004      -0.168      -0.199       0.071       0.475
RESID 161 (Q):      -1.361       0.021      -0.898      -0.610       0.361      -0.007
RESID 162 (R):      -0.045      -0.056      -0.582       1.362      -0.868      -0.400
RESID 163 (I):      -1.199      -0.595       0.906       0.415       0.447      -0.235
RESID 164 (Q):       2.407       0.291       0.223      -0.833       1.578      -0.146
RESID 165 (D):       3.011       0.079       1.467       0.208      -0.904       0.154
RESID 166 (E):       0.289      -0.124       1.725       0.187       0.142       0.843
RESID 167 (A):       1.234       0.459       1.574      -0.489       0.048      -0.334
RESID 168 (D):       1.291       0.199       0.564       0.068       0.272       0.328
RESID 169 (E):       0.155       0.087       0.127       0.043      -0.764       0.179
RESID 170 (L):       1.154       0.154       0.490       0.511      -0.096      -0.616
RESID 171 (T):       2.194       0.258      -0.595       0.931      -0.266       0.730
RESID 172 (R):      -2.563      -0.033       0.767       0.086      -0.089      -0.334
RESID 173 (R):       1.853      -0.193       0.646       0.454       0.821       0.003
RESID 174 (F):      -1.299      -0.143      -0.074       4.013       2.242       0.461
RESID 175 (V):      -1.483      -0.155      -0.673       0.107       0.152      -0.035
RESID 176 (A):      -1.566       0.076       2.558      -0.042      -1.050      -0.069
RESID 177 (L):       6.297      -0.405       0.337       1.318      -0.571      -0.421
RESID 178 (M):      -1.800      -0.222       3.290       2.068       2.408      -0.457
RESID 179 (D):      -0.088       0.006       0.646       0.356      -0.599       0.887
RESID 180 (A):       0.140       0.096       0.108       0.135       0.531       0.011
RESID 181 (G):       0.304       -----       1.185       0.501       -----       0.029
RESID 182 (E):      -1.760       0.076       -----       0.955      -1.907       0.232
RESID 183 (P):       -----       0.214       0.285      -0.175       0.651       -----
RESID 184 (A):       2.445      -0.471      -3.644       0.383       0.841       0.265
RESID 185 (D):      -5.040      -0.117       0.726      -1.653      -1.274      -0.953
RESID 186 (S):      -1.617      -0.081      -1.035       0.625       0.911       0.154
RESID 187 (E):      -1.111      -0.344      -1.057       0.156       0.214       0.103
RESID 188 (G):      -3.739       -----       1.232       0.579       -----       0.204
RESID 189 (A):       0.917      -0.026       0.247       0.770      -0.254       0.396
RESID 190 (M):       0.259       0.029       0.975       1.738       1.251      -0.091
RESID 191 (D):      -0.187      -0.079       0.609      -0.316      -2.392       0.851
RESID 192 (A):       1.373      -0.203      -0.345       0.220      -2.301       0.153
RESID 193 (A):      -0.075       0.310      -0.220       0.437       0.242       0.518
RESID 194 (E):       3.210       0.307      -0.315      -1.229      -1.835       0.766
RESID 195 (D):       2.330      -0.002       1.295       0.395      -1.510       0.104
RESID 196 (H):       5.269      -0.151      -0.212       1.282       1.228       0.518
RESID 197 (R):       3.988      -1.177      -0.365       0.198       0.414      -0.501
RESID 198 (Q):      -3.323      -0.514       0.573       0.965      -0.999       0.333
RESID 199 (G):      -0.268       -----       0.099       0.492       -----      -0.261
RESID 200 (I):       1.691      -0.475       1.174       1.953      -1.899      -0.594
RESID 201 (A):       0.021       0.285       0.271      -1.178      -0.411       0.115
RESID 202 (R):      -0.275      -0.439       0.959       1.083       1.104       0.183
RESID 203 (N):      -2.008      -0.292       0.372      -0.160       0.013       0.119
RESID 204 (H):       3.205      -0.247      -1.096       1.639       0.862       0.723
RESID 205 (Y):      -2.000      -0.381      -0.296       0.241      -0.625      -0.172
RESID 206 (D):      -4.738      -0.481       0.394       1.783      -0.122      -0.215
RESID 207 (C):       1.106      -0.027      -2.023       0.573      -3.749      -0.144
RESID 208 (G):       2.157       -----      -0.471      -0.188       -----       0.205
RESID 209 (Y):      -1.990      -0.592       1.174       8.475       0.382       0.123
RESID 210 (E):      -3.237       0.123       0.229       0.701      -1.357       1.032
RESID 211 (M):       2.743      -0.245       -----      -1.084       0.673       0.463
RESID 212 (H):       0.267      -0.046       0.727      -0.013       3.817       0.274
RESID 213 (T):      -5.884      -0.151       0.038      -0.998      -0.438       0.365
RESID 214 (C):      -0.001      -0.446       -----       0.924       -----      -0.659
RESID 215 (L):      -0.215      -0.479      -2.395      -0.001      -0.673      -1.185
RESID 216 (G):      -4.330       -----      -1.416       0.088       -----      -0.387
RESID 217 (E):      -6.403       0.014       0.748      -0.496      -0.404      -0.205
RESID 218 (M):       4.602      -0.467      -1.387       1.027       0.170      -0.732
RESID 219 (Y):      -6.309      -0.003      -0.010      -4.747      -2.921      -0.628
RESID 220 (V):      -6.703      -0.233      -2.227      -1.565       0.525      -0.722
RESID 221 (S):      -1.044       0.106      -0.603      -1.627       0.249       0.185
RESID 222 (D):      -0.117       0.114      -0.442      -1.605       0.738       0.471
RESID 223 (E):       0.237       0.364      -1.192      -1.288      -0.244       0.353
RESID 224 (R):      -0.627       0.093       2.407      -0.513       1.369       0.057
RESID 225 (F):      -2.089      -0.424      -0.355      -0.169       0.460      -0.741
RESID 226 (T):      -0.563      -0.577      -0.158      -0.745      -0.160      -0.034
RESID 227 (R):      -5.947      -0.440       0.378      -0.333       0.000      -0.210
RESID 228 (N):      -0.517       0.018       1.022      -0.346      -0.064      -0.832
RESID 229 (I):       1.692      -0.108       0.762       0.634       0.904       1.149
RESID 230 (D):      -1.616       0.097      -0.655      -0.578      -1.016       0.019
RESID 231 (A):       0.940      -0.026       1.038       0.406       0.282      -0.592
RESID 232 (A):      -2.658      -0.086       1.084       1.059      -0.564      -0.195
RESID 233 (K):      -2.026      -0.211       -----       1.464       1.165      -1.207
RESID 234 (P):       -----      -0.167      -0.178      -0.144       0.059       -----
RESID 235 (G):       0.210       -----      -1.003       0.098       -----       0.360
RESID 236 (L):       3.013       0.173      -0.126       0.207      -0.164      -0.069
RESID 237 (A):       5.190      -0.073       0.333       1.251       0.007       2.311
RESID 238 (A):      -2.706      -0.189       0.279       0.192      -0.890       0.491
RESID 239 (Y):       0.945      -0.020       0.284       0.529       1.281       0.381
RESID 240 (M):      -1.848      -0.587      -0.136       1.500       1.880       0.688
RESID 241 (R):      -2.160      -0.402      -0.242       1.272      -1.332       1.181
RESID 242 (D):       1.114      -0.206       0.535       0.635      -0.787       0.318
RESID 243 (A):       4.128       0.216       0.411       0.513       0.790       1.003
RESID 244 (I):       1.115       0.209       2.467       1.355      -0.428       0.641
RESID 245 (L):       1.544       0.136       0.670       0.791      -0.634       0.466
RESID 246 (A):       0.938       0.255       1.643       0.207      -1.049       0.377
RESID 247 (N):       0.540       0.275       0.290       0.365       1.902       1.238
RESID 248 (A):       4.975      -0.051       2.330       1.560      -0.602       0.918
RESID 249 (V):       3.881      -0.194       0.759       1.194      -0.060       0.706
RESID 250 (R):      -0.457       0.040      -1.006       1.230      -0.943       0.134
RESID 251 (H):       1.141      -0.087      -1.029       1.229      -0.536      -0.493
RESID 252 (T):       3.114       0.061       -----       1.965       0.009       0.362

DATA CS_STAT_INFO  N  RMS:   2.721 ppm Count: 137 Average Difference:  0.303 +/- 2.714 ppm
DATA CS_STAT_INFO  HA RMS:   0.323 ppm Count: 149 Average Difference:  0.053 +/- 0.320 ppm
DATA CS_STAT_INFO  C  RMS:   1.123 ppm Count: 132 Average Difference: -0.193 +/- 1.111 ppm
DATA CS_STAT_INFO  CA RMS:   1.300 ppm Count: 141 Average Difference: -0.327 +/- 1.262 ppm
DATA CS_STAT_INFO  CB RMS:   1.176 ppm Count: 131 Average Difference:  0.017 +/- 1.181 ppm
DATA CS_STAT_INFO  HN RMS:   0.598 ppm Count: 137 Average Difference: -0.120 +/- 0.588 ppm


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

                   Atom      Original     Corrected        SPARTA    Difference
RESID 112 (I):        N       120.180       120.180       123.315        -3.135
RESID 112 (I):       HA         4.320         4.320         4.221         0.099
RESID 112 (I):        C       176.436       176.436       175.403         1.033
RESID 112 (I):       CA        61.350        61.350        61.427        -0.077
RESID 112 (I):       CB        38.688        38.688        36.527         2.161
RESID 112 (I):        H         8.735         8.735         8.192         0.543
RESID 113 (N):        N       125.593       125.593       127.945        -2.352
RESID 113 (N):       HA         4.915         4.915         4.932        -0.017
RESID 113 (N):        C       174.326       174.326       174.112         0.214
RESID 113 (N):       CA        52.993        52.993        53.069        -0.076
RESID 113 (N):       CB        37.402        37.402        38.723        -1.321
RESID 113 (N):        H         8.939         8.939         8.898         0.041
RESID 114 (L):        N       120.224       120.224       124.523        -4.299
RESID 114 (L):       HA         4.943         4.943         4.715         0.228
RESID 114 (L):        C       176.954       176.954       176.060         0.894
RESID 114 (L):       CA        53.421        53.421        53.969        -0.548
RESID 114 (L):       CB        46.761        46.761        46.240         0.521
RESID 114 (L):        H         7.667         7.667         7.805        -0.138
RESID 115 (T):        N       114.226       114.226       112.877         1.349
RESID 115 (T):       HA         4.661         4.661         4.692        -0.031
RESID 115 (T):       CA        60.696        60.696        58.482         2.214
RESID 115 (T):       CB        67.843        67.843        69.205        -1.362
RESID 115 (T):        H         9.357         9.357         8.311         1.046
RESID 116 (P):       HA         4.150         4.150         3.993         0.157
RESID 116 (P):        C       179.425       179.425       178.686         0.739
RESID 116 (P):       CA        66.423        66.423        65.881         0.542
RESID 116 (P):       CB        31.661        31.661        31.797        -0.137
RESID 117 (E):        N       116.894       116.894       115.871         1.023
RESID 117 (E):       HA         4.117         4.117         4.307        -0.190
RESID 117 (E):        C       179.580       179.580       179.106         0.474
RESID 117 (E):       CA        60.388        60.388        58.999         1.389
RESID 117 (E):       CB        28.810        28.810        28.864        -0.054
RESID 117 (E):        H         8.731         8.731         8.809        -0.078
RESID 118 (E):        N       120.845       120.845       120.562         0.283
RESID 118 (E):       HA         4.011         4.011         4.152        -0.141
RESID 118 (E):        C       178.520       178.520       178.745        -0.225
RESID 118 (E):       CA        58.955        58.955        58.843         0.112
RESID 118 (E):       CB        31.576        31.576        29.652         1.924
RESID 118 (E):        H         7.779         7.779         7.848        -0.069
RESID 119 (K):        N       117.419       117.419       120.029        -2.610
RESID 119 (K):       HA         3.741         3.741         4.062        -0.321
RESID 119 (K):        C       178.034       178.034       179.187        -1.153
RESID 119 (K):       CA        60.446        60.446        59.667         0.779
RESID 119 (K):       CB        32.524        32.524        32.061         0.463
RESID 119 (K):        H         8.723         8.723         8.495         0.228
RESID 120 (F):        N       117.618       117.618       116.649         0.969
RESID 120 (F):       HA         4.662         4.662         4.353         0.309
RESID 120 (F):       CA        60.444        60.444        60.718        -0.274
RESID 120 (F):       CB        38.788        38.788        37.940         0.848
RESID 120 (F):        H         7.819         7.819         7.370         0.449
RESID 121 (E):        N       119.300       119.300       120.011        -0.711
RESID 121 (E):       HA         3.793         3.793         4.089        -0.296
RESID 121 (E):        C       177.602       177.602       178.311        -0.709
RESID 121 (E):       CA        59.453        59.453        59.321         0.132
RESID 121 (E):       CB        29.815        29.815        29.523         0.292
RESID 121 (E):        H         7.898         7.898         7.733         0.165
RESID 122 (V):        N       112.645       112.645       116.144        -3.499
RESID 122 (V):       HA         3.939         3.939         4.022        -0.083
RESID 122 (V):        C       177.072       177.072       175.650         1.422
RESID 122 (V):       CA        64.288        64.288        62.904         1.384
RESID 122 (V):       CB        33.050        33.050        32.402         0.648
RESID 122 (V):        H         7.668         7.668         7.745        -0.077
RESID 123 (F):        N       116.335       116.335       117.651        -1.316
RESID 123 (F):       HA         5.020         5.020         4.813         0.207
RESID 123 (F):        C       177.796       177.796       176.599         1.197
RESID 123 (F):       CA        56.368        56.368        57.895        -1.527
RESID 123 (F):       CB        40.644        40.644        41.743        -1.099
RESID 123 (F):        H         8.632         8.632         8.433         0.199
RESID 124 (G):        N       112.227       112.227       110.639         1.588
RESID 124 (G):        C       174.159       174.159       175.120        -0.961
RESID 124 (G):       CA        46.478        46.478        47.704        -1.226
RESID 124 (G):        H         7.974         7.974         8.607        -0.633
RESID 125 (D):        N       124.513       124.513       121.498         3.015
RESID 125 (D):       HA         4.613         4.613         5.043        -0.430
RESID 125 (D):        C       175.890       175.890       174.909         0.981
RESID 125 (D):       CA        54.541        54.541        54.273         0.269
RESID 125 (D):       CB        40.610        40.610        42.961        -2.351
RESID 125 (D):        H         8.650         8.650         8.858        -0.208
RESID 126 (F):        N       121.949       121.949       122.918        -0.969
RESID 126 (F):       HA         4.152         4.152         4.491        -0.339
RESID 126 (F):        C       173.533       173.533       173.782        -0.249
RESID 126 (F):       CA        58.831        58.831        58.408         0.423
RESID 126 (F):       CB        39.973        39.973        39.468         0.505
RESID 126 (F):        H         7.640         7.640         7.836        -0.196
RESID 127 (D):        N       125.341       125.341       127.966        -2.625
RESID 127 (D):       HA         4.908         4.908         4.412         0.496
RESID 127 (D):       CA        48.718        48.718        50.228        -1.510
RESID 127 (D):       CB        41.151        41.151        41.977        -0.826
RESID 127 (D):        H         7.764         7.764         7.375         0.389
RESID 128 (P):       HA         3.722         3.722         3.626         0.096
RESID 128 (P):        C       179.160       179.160       177.856         1.304
RESID 128 (P):       CA        63.531        63.531        64.754        -1.223
RESID 128 (P):       CB        32.580        32.580        31.898         0.683
RESID 129 (D):        N       117.916       117.916       117.965        -0.049
RESID 129 (D):       HA         4.352         4.352         4.225         0.127
RESID 129 (D):        C       178.271       178.271       178.120         0.151
RESID 129 (D):       CA        56.905        56.905        57.638        -0.733
RESID 129 (D):       CB        39.712        39.712        40.039        -0.327
RESID 129 (D):        H         7.758         7.758         8.315        -0.557
RESID 130 (Q):        N       116.475       116.475       116.771        -0.296
RESID 130 (Q):       HA         3.827         3.827         3.975        -0.148
RESID 130 (Q):        C       176.033       176.033       178.568        -2.535
RESID 130 (Q):       CA        57.050        57.050        58.698        -1.648
RESID 130 (Q):       CB        27.825        27.825        28.540        -0.714
RESID 130 (Q):        H         7.015         7.015         8.130        -1.115
RESID 131 (Y):        N       114.293       114.293       116.793        -2.500
RESID 131 (Y):       HA         4.716         4.716         4.480         0.236
RESID 131 (Y):        C       174.868       174.868       177.919        -3.051
RESID 131 (Y):       CA        57.346        57.346        56.234         1.111
RESID 131 (Y):       CB        39.648        39.648        37.117         2.531
RESID 131 (Y):        H         6.769         6.769         7.284        -0.515
RESID 132 (E):        N       119.006       119.006       121.028        -2.022
RESID 132 (E):       HA         3.928         3.928         3.984        -0.056
RESID 132 (E):        C       178.378       178.378       178.572        -0.194
RESID 132 (E):       CA        60.171        60.171        59.968         0.203
RESID 132 (E):       CB        30.065        30.065        29.537         0.528
RESID 132 (E):        H         6.833         6.833         8.378        -1.545
RESID 133 (E):        N       119.319       119.319       118.930         0.389
RESID 133 (E):       HA         4.022         4.022         3.953         0.069
RESID 133 (E):        C       177.728       177.728       178.831        -1.103
RESID 133 (E):       CA        59.325        59.325        59.212         0.113
RESID 133 (E):       CB        28.294        28.294        29.058        -0.764
RESID 133 (E):        H         8.611         8.611         7.619         0.992
RESID 134 (E):        N       122.908       122.908       119.439         3.469
RESID 134 (E):       HA         3.826         3.826         3.945        -0.119
RESID 134 (E):        C       177.780       177.780       178.908        -1.128
RESID 134 (E):       CA        59.062        59.062        58.599         0.463
RESID 134 (E):       CB        28.532        28.532        28.892        -0.360
RESID 134 (E):        H         8.094         8.094         7.769         0.325
RESID 135 (V):        N       118.079       118.079       120.233        -2.154
RESID 135 (V):       HA         3.342         3.342         3.531        -0.189
RESID 135 (V):        C       177.633       177.633       177.691        -0.058
RESID 135 (V):       CA        65.657        65.657        65.599         0.058
RESID 135 (V):       CB        31.449        31.449        31.645        -0.196
RESID 135 (V):        H         8.085         8.085         7.531         0.554
RESID 136 (R):        N       117.865       117.865       119.934        -2.069
RESID 136 (R):       HA         3.125         3.125         3.959        -0.834
RESID 136 (R):        C       179.034       179.034       177.687         1.347
RESID 136 (R):       CA        59.253        59.253        58.742         0.510
RESID 136 (R):       CB        29.856        29.856        29.674         0.182
RESID 136 (R):        H         7.456         7.456         7.854        -0.398
RESID 137 (E):        N       120.727       120.727       117.752         2.975
RESID 137 (E):       HA         3.714         3.714         4.068        -0.354
RESID 137 (E):        C       178.690       178.690       178.698        -0.008
RESID 137 (E):       CA        59.274        59.274        58.524         0.750
RESID 137 (E):       CB        29.360        29.360        29.725        -0.365
RESID 137 (E):        H         8.517         8.517         7.656         0.861
RESID 138 (R):        N       115.311       115.311       118.448        -3.137
RESID 138 (R):       HA         3.567         3.567         3.925        -0.358
RESID 138 (R):        C       178.897       178.897       177.584         1.313
RESID 138 (R):       CA        58.754        58.754        58.212         0.542
RESID 138 (R):       CB        29.960        29.960        29.222         0.738
RESID 138 (R):        H         8.090         8.090         7.536         0.554
RESID 139 (W):        N       114.241       114.241       117.655        -3.414
RESID 139 (W):       HA         5.078         5.078         4.811         0.267
RESID 139 (W):        C       177.169       177.169       177.089         0.080
RESID 139 (W):       CA        56.174        56.174        57.667        -1.494
RESID 139 (W):       CB        28.194        28.194        29.876        -1.682
RESID 139 (W):        H         7.805         7.805         7.160         0.645
RESID 140 (G):        N       110.185       110.185       107.031         3.154
RESID 140 (G):        C       173.518       173.518       173.960        -0.442
RESID 140 (G):       CA        46.717        46.717        46.721        -0.004
RESID 140 (G):        H         7.639         7.639         7.974        -0.335
RESID 141 (N):        N       116.211       116.211       112.202         4.009
RESID 141 (N):       HA         5.069         5.069         4.802         0.267
RESID 141 (N):        C       175.838       175.838       174.375         1.463
RESID 141 (N):       CA        52.249        52.249        52.483        -0.234
RESID 141 (N):       CB        38.104        38.104        38.343        -0.239
RESID 141 (N):        H         8.387         8.387         8.146         0.241
RESID 142 (T):        N       110.347       110.347       115.020        -4.673
RESID 142 (T):       HA         4.704         4.704         4.497         0.207
RESID 142 (T):        C       175.832       175.832       175.015         0.817
RESID 142 (T):       CA        61.180        61.180        61.053         0.127
RESID 142 (T):       CB        72.857        72.857        70.022         2.835
RESID 142 (T):        H         7.907         7.907         7.625         0.282
RESID 143 (D):        N       123.392       123.392       127.668        -4.276
RESID 143 (D):       HA         4.565         4.565         4.363         0.202
RESID 143 (D):        C       178.225       178.225       177.384         0.841
RESID 143 (D):       CA        57.387        57.387        57.891        -0.504
RESID 143 (D):       CB        40.346        40.346        40.416        -0.070
RESID 143 (D):        H         8.985         8.985         8.840         0.145
RESID 144 (A):        N       122.309       122.309       121.376         0.933
RESID 144 (A):       HA         3.963         3.963         3.524         0.439
RESID 144 (A):        C       179.688       179.688       178.396         1.292
RESID 144 (A):       CA        55.136        55.136        54.683         0.453
RESID 144 (A):       CB        17.566        17.566        17.523         0.043
RESID 144 (A):        H         8.476         8.476         8.116         0.360
RESID 145 (Y):        N       117.438       117.438       118.891        -1.453
RESID 145 (Y):       HA         4.283         4.283         4.109         0.174
RESID 145 (Y):        C       177.433       177.433       177.310         0.123
RESID 145 (Y):       CA        62.243        62.243        60.161         2.082
RESID 145 (Y):       CB        40.171        40.171        38.322         1.849
RESID 145 (Y):        H         8.432         8.432         7.575         0.857
RESID 146 (R):        N       119.518       119.518       117.815         1.703
RESID 146 (R):       HA         3.847         3.847         3.627         0.220
RESID 146 (R):        C       179.450       179.450       178.993         0.457
RESID 146 (R):       CA        60.242        60.242        58.897         1.345
RESID 146 (R):       CB        30.115        30.115        29.239         0.876
RESID 146 (R):        H         7.787         7.787         7.763         0.024
RESID 147 (Q):        N       118.457       118.457       118.184         0.273
RESID 147 (Q):       HA         4.101         4.101         4.097         0.004
RESID 147 (Q):        C       178.807       178.807       178.096         0.711
RESID 147 (Q):       CA        59.183        59.183        58.456         0.727
RESID 147 (Q):       CB        28.878        28.878        28.300         0.578
RESID 147 (Q):        H         8.960         8.960         7.925         1.035
RESID 148 (S):        N       115.758       115.758       116.278        -0.520
RESID 148 (S):       HA         4.979         4.979         4.121         0.858
RESID 148 (S):        C       178.074       178.074       176.469         1.605
RESID 148 (S):       CA        61.511        61.511        61.683        -0.172
RESID 148 (S):       CB        63.392        63.392        62.850         0.542
RESID 148 (S):        H         8.604         8.604         7.794         0.810
RESID 149 (K):        N       125.190       125.190       119.582         5.608
RESID 149 (K):       HA         4.022         4.022         3.936         0.086
RESID 149 (K):        C       178.788       178.788       179.219        -0.431
RESID 149 (K):       CA        58.707        58.707        58.402         0.305
RESID 149 (K):       CB        31.465        31.465        31.596        -0.131
RESID 149 (K):        H         8.405         8.405         7.425         0.980
RESID 150 (E):        N       118.050       118.050       119.552        -1.502
RESID 150 (E):       HA         4.023         4.023         3.987         0.036
RESID 150 (E):        C       179.065       179.065       178.612         0.453
RESID 150 (E):       CA        58.880        58.880        59.229        -0.349
RESID 150 (E):       CB        29.660        29.660        29.591         0.069
RESID 150 (E):        H         7.509         7.509         7.752        -0.243
RESID 151 (K):        N       118.439       118.439       115.342         3.097
RESID 151 (K):       HA         3.782         3.782         4.089        -0.307
RESID 151 (K):        C       178.865       178.865       178.659         0.206
RESID 151 (K):       CA        59.365        59.365        58.297         1.068
RESID 151 (K):       CB        32.923        32.923        32.198         0.725
RESID 151 (K):        H         8.296         8.296         8.044         0.252
RESID 152 (T):        N       106.470       106.470       115.794        -9.324
RESID 152 (T):       HA         4.407         4.407         3.543         0.864
RESID 152 (T):       CA        63.772        63.772        64.924        -1.152
RESID 152 (T):       CB        70.040        70.040        68.616         1.424
RESID 152 (T):        H         8.304         8.304         8.065         0.239
RESID 153 (A):        N       123.491       123.491       123.523        -0.032
RESID 153 (A):       HA         4.252         4.252         4.134         0.118
RESID 153 (A):        C       178.775       178.775       178.726         0.049
RESID 153 (A):       CA        54.906        54.906        54.552         0.354
RESID 153 (A):       CB        18.604        18.604        18.332         0.272
RESID 153 (A):        H         7.318         7.318         7.469        -0.151
RESID 154 (S):        N       108.783       108.783       111.578        -2.795
RESID 154 (S):       HA         4.569         4.569         4.428         0.141
RESID 154 (S):        C       174.926       174.926       174.252         0.674
RESID 154 (S):       CA        57.983        57.983        58.455        -0.472
RESID 154 (S):        H         7.295         7.295         7.577        -0.282
RESID 155 (Y):        N       121.552       121.552       120.460         1.092
RESID 155 (Y):       HA         5.148         5.148         4.560         0.588
RESID 155 (Y):        C       177.850       177.850       175.952         1.898
RESID 155 (Y):       CA        54.351        54.351        56.504        -2.153
RESID 155 (Y):       CB        36.657        36.657        38.004        -1.347
RESID 155 (Y):        H         7.129         7.129         7.570        -0.441
RESID 156 (T):        N       116.123       116.123       117.043        -0.920
RESID 156 (T):       HA         4.817         4.817         4.697         0.120
RESID 156 (T):        C       175.913       175.913       175.476         0.437
RESID 156 (T):       CA        60.021        60.021        59.268         0.753
RESID 156 (T):       CB        72.051        72.051        71.177         0.874
RESID 156 (T):        H         9.749         9.749         9.154         0.595
RESID 157 (K):        N       121.193       121.193       122.762        -1.569
RESID 157 (K):       HA         3.874         3.874         4.129        -0.255
RESID 157 (K):        C       177.224       177.224       178.486        -1.262
RESID 157 (K):       CA        61.575        61.575        60.552         1.023
RESID 157 (K):       CB        31.986        31.986        32.441        -0.455
RESID 157 (K):        H         9.322         9.322         8.826         0.496
RESID 158 (E):        N       115.842       115.842       118.661        -2.819
RESID 158 (E):       HA         4.015         4.015         3.957         0.058
RESID 158 (E):        C       179.589       179.589       178.606         0.983
RESID 158 (E):       CA        59.880        59.880        60.307        -0.427
RESID 158 (E):       CB        28.939        28.939        28.285         0.654
RESID 158 (E):        H         8.414         8.414         8.843        -0.429
RESID 159 (D):        N       119.833       119.833       119.529         0.304
RESID 159 (D):       HA         4.145         4.145         4.186        -0.041
RESID 159 (D):        C       177.210       177.210       178.439        -1.229
RESID 159 (D):       CA        57.273        57.273        56.982         0.291
RESID 159 (D):       CB        40.562        40.562        39.836         0.726
RESID 159 (D):        H         7.341         7.341         8.177        -0.836
RESID 160 (W):        N       117.696       117.696       120.926        -3.230
RESID 160 (W):       HA         4.227         4.227         4.248        -0.021
RESID 160 (W):        C       178.283       178.283       178.482        -0.199
RESID 160 (W):       CA        60.400        60.400        60.237         0.163
RESID 160 (W):       CB        29.643        29.643        29.422         0.221
RESID 160 (W):        H         7.892         7.892         7.533         0.359
RESID 161 (Q):        N       118.386       118.386       119.305        -0.919
RESID 161 (Q):       HA         3.841         3.841         3.863        -0.022
RESID 161 (Q):        C       177.368       177.368       178.232        -0.864
RESID 161 (Q):       CA        58.701        58.701        58.828        -0.126
RESID 161 (Q):       CB        28.879        28.879        28.229         0.650
RESID 161 (Q):        H         8.665         8.665         8.396         0.269
RESID 162 (R):        N       120.270       120.270       119.793         0.477
RESID 162 (R):       HA         4.039         4.039         4.066        -0.027
RESID 162 (R):        C       178.441       178.441       179.042        -0.601
RESID 162 (R):       CA        59.688        59.688        59.316         0.372
RESID 162 (R):       CB        28.707        28.707        29.963        -1.256
RESID 162 (R):        H         7.530         7.530         7.614        -0.084
RESID 163 (I):        N       119.856       119.856       120.584        -0.728
RESID 163 (I):       HA         3.272         3.272         3.741        -0.469
RESID 163 (I):        C       179.233       179.233       178.206         1.027
RESID 163 (I):       CA        65.686        65.686        65.147         0.539
RESID 163 (I):       CB        38.278        38.278        38.008         0.270
RESID 163 (I):        H         7.971         7.971         8.171        -0.200
RESID 164 (Q):        N       121.268       121.268       118.585         2.683
RESID 164 (Q):       HA         4.266         4.266         3.951         0.315
RESID 164 (Q):        C       178.794       178.794       178.321         0.473
RESID 164 (Q):       CA        58.115        58.115        58.861        -0.746
RESID 164 (Q):       CB        29.475        29.475        27.863         1.612
RESID 164 (Q):        H         8.601         8.601         8.653        -0.052
RESID 165 (D):        N       122.162       122.162       119.449         2.713
RESID 165 (D):       HA         4.428         4.428         4.297         0.131
RESID 165 (D):        C       179.896       179.896       178.380         1.516
RESID 165 (D):       CA        57.546        57.546        57.495         0.052
RESID 165 (D):       CB        39.524        39.524        40.669        -1.145
RESID 165 (D):        H         8.711         8.711         8.463         0.249
RESID 166 (E):        N       121.227       121.227       119.892         1.335
RESID 166 (E):       HA         3.956         3.956         4.037        -0.081
RESID 166 (E):        C       180.125       180.125       178.490         1.635
RESID 166 (E):       CA        59.288        59.288        59.244         0.044
RESID 166 (E):       CB        29.458        29.458        29.448         0.010
RESID 166 (E):        H         8.566         8.566         7.659         0.907
RESID 167 (A):        N       123.246       123.246       122.640         0.606
RESID 167 (A):       HA         4.255         4.255         3.862         0.393
RESID 167 (A):        C       180.675       180.675       179.696         0.979
RESID 167 (A):       CA        55.207        55.207        55.386        -0.179
RESID 167 (A):       CB        18.141        18.141        18.382        -0.241
RESID 167 (A):        H         7.929         7.929         7.896         0.033
RESID 168 (D):        N       120.476       120.476       119.112         1.364
RESID 168 (D):       HA         4.441         4.441         4.137         0.304
RESID 168 (D):        C       178.499       178.499       178.328         0.171
RESID 168 (D):       CA        57.433        57.433        58.535        -1.102
RESID 168 (D):       CB        40.758        40.758        40.118         0.640
RESID 168 (D):        H         8.670         8.670         8.266         0.404
RESID 169 (E):        N       120.325       120.325       120.123         0.202
RESID 169 (E):       HA         4.041         4.041         3.962         0.079
RESID 169 (E):        C       178.994       178.994       178.842         0.152
RESID 169 (E):       CA        59.375        59.375        59.273         0.103
RESID 169 (E):       CB        28.864        28.864        29.652        -0.788
RESID 169 (E):        H         8.079         8.079         7.861         0.218
RESID 170 (L):        N       120.582       120.582       119.043         1.539
RESID 170 (L):       HA         4.131         4.131         3.953         0.178
RESID 170 (L):        C       179.013       179.013       178.618         0.395
RESID 170 (L):       CA        58.045        58.045        57.525         0.520
RESID 170 (L):       CB        41.675        41.675        41.614         0.061
RESID 170 (L):        H         7.615         7.615         8.124        -0.509
RESID 171 (T):        N       118.834       118.834       116.520         2.314
RESID 171 (T):       HA         4.036         4.036         3.730         0.306
RESID 171 (T):        C       175.899       175.899       176.472        -0.573
RESID 171 (T):       CA        68.163        68.163        67.170         0.993
RESID 171 (T):       CB        68.338        68.338        68.555        -0.217
RESID 171 (T):        H         8.815         8.815         8.016         0.799
RESID 172 (R):        N       118.894       118.894       121.328        -2.434
RESID 172 (R):       HA         3.885         3.885         3.914        -0.029
RESID 172 (R):        C       179.660       179.660       178.865         0.795
RESID 172 (R):       CA        60.269        60.269        60.128         0.141
RESID 172 (R):       CB        29.990        29.990        30.100        -0.110
RESID 172 (R):        H         8.249         8.249         8.618        -0.369
RESID 173 (R):        N       120.681       120.681       118.700         1.981
RESID 173 (R):       HA         4.030         4.030         4.232        -0.202
RESID 173 (R):        C       179.645       179.645       178.970         0.675
RESID 173 (R):       CA        59.615        59.615        59.099         0.516
RESID 173 (R):       CB        30.566        30.566        29.746         0.820
RESID 173 (R):        H         7.961         7.961         7.808         0.153
RESID 174 (F):        N       118.546       118.546       120.483        -1.937
RESID 174 (F):       HA         4.292         4.292         4.397        -0.105
RESID 174 (F):        C       178.154       178.154       178.266        -0.112
RESID 174 (F):       CA        63.590        63.590        59.635         3.955
RESID 174 (F):       CB        40.383        40.383        38.129         2.254
RESID 174 (F):        H         8.548         8.548         7.977         0.571
RESID 175 (V):        N       118.935       118.935       120.630        -1.695
RESID 175 (V):       HA         3.373         3.373         3.809        -0.436
RESID 175 (V):        C       177.099       177.099       178.339        -1.240
RESID 175 (V):       CA        67.334        67.334        66.515         0.819
RESID 175 (V):       CB        31.745        31.745        31.187         0.558
RESID 175 (V):        H         8.770         8.770         8.770        -0.000
RESID 176 (A):        N       120.243       120.243       122.010        -1.767
RESID 176 (A):       HA         4.162         4.162         4.069         0.093
RESID 176 (A):        C       181.643       181.643       179.131         2.512
RESID 176 (A):       CA        55.105        55.105        55.172        -0.067
RESID 176 (A):       CB        17.765        17.765        18.729        -0.964
RESID 176 (A):        H         7.967         7.967         7.810         0.157
RESID 177 (L):        N       121.411       121.411       115.463         5.948
RESID 177 (L):       HA         3.938         3.938         4.420        -0.482
RESID 177 (L):        C       178.694       178.694       178.359         0.335
RESID 177 (L):       CA        58.611        58.611        57.323         1.288
RESID 177 (L):       CB        41.513        41.513        42.229        -0.716
RESID 177 (L):        H         7.634         7.634         8.022        -0.388
RESID 178 (M):        N       118.652       118.652       120.432        -1.780
RESID 178 (M):       HA         3.564         3.564         3.753        -0.189
RESID 178 (M):        C       181.569       181.569       178.320         3.249
RESID 178 (M):       CA        59.718        59.718        57.678         2.040
RESID 178 (M):       CB        33.450        33.450        31.143         2.307
RESID 178 (M):        H         7.940         7.940         8.597        -0.657
RESID 179 (D):        N       121.310       121.310       121.239         0.071
RESID 179 (D):       HA         4.371         4.371         4.328         0.043
RESID 179 (D):        C       177.730       177.730       177.850        -0.120
RESID 179 (D):       CA        56.932        56.932        56.693         0.239
RESID 179 (D):       CB        39.826        39.826        39.925        -0.099
RESID 179 (D):        H         9.022         9.022         8.447         0.575
RESID 180 (A):        N       120.199       120.199       119.992         0.207
RESID 180 (A):       HA         4.357         4.357         4.247         0.110
RESID 180 (A):        C       177.935       177.935       178.119        -0.184
RESID 180 (A):       CA        52.276        52.276        52.287        -0.011
RESID 180 (A):       CB        19.028        19.028        18.439         0.589
RESID 180 (A):        H         7.667         7.667         7.643         0.024
RESID 181 (G):        N       107.115       107.115       106.576         0.539
RESID 181 (G):        C       175.650       175.650       174.394         1.256
RESID 181 (G):       CA        45.480        45.480        44.937         0.543
RESID 181 (G):        H         7.916         7.916         7.914         0.002
RESID 182 (E):        N       120.055       120.055       121.642        -1.587
RESID 182 (E):       HA         4.701         4.701         4.647         0.054
RESID 182 (E):       CA        54.158        54.158        53.219         0.939
RESID 182 (E):       CB        28.461        28.461        30.520        -2.059
RESID 182 (E):        H         7.887         7.887         7.640         0.247
RESID 183 (P):       HA         4.729         4.729         4.500         0.229
RESID 183 (P):        C       177.156       177.156       176.981         0.175
RESID 183 (P):       CA        62.595        62.595        62.966        -0.371
RESID 183 (P):       CB        33.002        33.002        32.396         0.606
RESID 184 (A):        N       124.966       124.966       122.909         2.057
RESID 184 (A):       HA         3.372         3.372         3.781        -0.409
RESID 184 (A):        C       173.383       173.383       177.545        -4.162
RESID 184 (A):       CA        54.234        54.234        53.757         0.477
RESID 184 (A):       CB        19.100        19.100        18.293         0.807
RESID 184 (A):        H         9.082         9.082         8.641         0.441
RESID 185 (D):        N       107.028       107.028       112.366        -5.338
RESID 185 (D):       HA         4.474         4.474         4.516        -0.042
RESID 185 (D):        C       176.790       176.790       175.944         0.846
RESID 185 (D):       CA        50.914        50.914        52.767        -1.853
RESID 185 (D):       CB        39.354        39.354        39.994        -0.640
RESID 185 (D):        H         7.364         7.364         8.259        -0.895
RESID 186 (S):        N       113.421       113.421       117.504        -4.083
RESID 186 (S):       HA         4.328         4.328         4.412        -0.084
RESID 186 (S):        C       174.699       174.699       175.742        -1.043
RESID 186 (S):       CA        57.769        57.769        59.316        -1.546
RESID 186 (S):       CB        65.781        65.781        64.679         1.102
RESID 186 (S):        H         7.676         7.676         7.434         0.242
RESID 187 (E):        N       121.832       121.832       125.284        -3.452
RESID 187 (E):       HA         3.698         3.698         4.066        -0.368
RESID 187 (E):        C       178.242       178.242       178.789        -0.547
RESID 187 (E):       CA        60.525        60.525        60.130         0.395
RESID 187 (E):       CB        29.271        29.271        29.372        -0.101
RESID 187 (E):        H         9.064         9.064         8.968         0.096
RESID 188 (G):        N       103.385       103.385       106.425        -3.040
RESID 188 (G):        C       176.865       176.865       175.649         1.216
RESID 188 (G):       CA        47.142        47.142        46.874         0.268
RESID 188 (G):        H         8.688         8.688         8.128         0.560
RESID 189 (A):        N       125.710       125.710       124.960         0.750
RESID 189 (A):       HA         4.040         4.040         4.012         0.028
RESID 189 (A):        C       179.646       179.646       179.206         0.440
RESID 189 (A):       CA        55.511        55.511        54.852         0.659
RESID 189 (A):       CB        18.211        18.211        18.618        -0.407
RESID 189 (A):        H         7.716         7.716         7.262         0.454
RESID 190 (M):        N       117.503       117.503       117.290         0.213
RESID 190 (M):       HA         4.060         4.060         4.065        -0.005
RESID 190 (M):        C       178.705       178.705       177.617         1.088
RESID 190 (M):       CA        60.473        60.473        58.645         1.828
RESID 190 (M):       CB        33.599        33.599        32.512         1.087
RESID 190 (M):        H         8.569         8.569         8.730        -0.161
RESID 191 (D):        N       119.826       119.826       119.422         0.404
RESID 191 (D):       HA         4.276         4.276         4.421        -0.145
RESID 191 (D):        C       178.528       178.528       177.888         0.640
RESID 191 (D):       CA        57.152        57.152        56.746         0.406
RESID 191 (D):       CB        39.009        39.009        39.737        -0.728
RESID 191 (D):        H         8.820         8.820         8.053         0.767
RESID 192 (A):        N       123.880       123.880       122.951         0.929
RESID 192 (A):       HA         3.905         3.905         4.121        -0.216
RESID 192 (A):        C       179.032       179.032       179.484        -0.452
RESID 192 (A):       CA        55.448        55.448        55.165         0.283
RESID 192 (A):       CB        15.703        15.703        18.189        -2.486
RESID 192 (A):        H         7.544         7.544         7.292         0.252
RESID 193 (A):        N       120.855       120.855       121.237        -0.382
RESID 193 (A):       HA         4.358         4.358         4.002         0.356
RESID 193 (A):        C       179.427       179.427       179.620        -0.193
RESID 193 (A):       CA        55.521        55.521        55.207         0.314
RESID 193 (A):       CB        18.361        18.361        18.131         0.230
RESID 193 (A):        H         8.435         8.435         8.052         0.383
RESID 194 (E):        N       122.123       122.123       118.869         3.254
RESID 194 (E):       HA         4.375         4.375         3.905         0.470
RESID 194 (E):        C       178.565       178.565       178.833        -0.268
RESID 194 (E):       CA        58.780        58.780        59.881        -1.101
RESID 194 (E):       CB        27.301        27.301        29.390        -2.088
RESID 194 (E):        H         8.778         8.778         7.923         0.855
RESID 195 (D):        N       121.253       121.253       118.824         2.429
RESID 195 (D):       HA         4.408         4.408         4.400         0.008
RESID 195 (D):        C       179.882       179.882       178.489         1.393
RESID 195 (D):       CA        57.421        57.421        57.009         0.412
RESID 195 (D):       CB        39.518        39.518        40.922        -1.404
RESID 195 (D):        H         8.213         8.213         7.955         0.258
RESID 196 (H):        N       124.862       124.862       120.376         4.486
RESID 196 (H):       HA         4.172         4.172         4.309        -0.137
RESID 196 (H):        C       177.779       177.779       177.638         0.141
RESID 196 (H):       CA        61.442        61.442        60.033         1.409
RESID 196 (H):       CB        31.474        31.474        30.421         1.053
RESID 196 (H):        H         8.857         8.857         8.174         0.683
RESID 197 (R):        N       123.019       123.019       119.734         3.285
RESID 197 (R):       HA         3.001         3.001         4.254        -1.253
RESID 197 (R):        C       178.632       178.632       179.325        -0.693
RESID 197 (R):       CA        60.121        60.121        59.708         0.413
RESID 197 (R):       CB        30.529        30.529        29.371         1.158
RESID 197 (R):        H         8.371         8.371         8.968        -0.597
RESID 198 (Q):        N       114.857       114.857       117.051        -2.194
RESID 198 (Q):       HA         3.780         3.780         4.320        -0.540
RESID 198 (Q):        C       179.002       179.002       178.522         0.480
RESID 198 (Q):       CA        58.513        58.513        57.424         1.089
RESID 198 (Q):       CB        27.753        27.753        28.855        -1.103
RESID 198 (Q):        H         8.283         8.283         8.110         0.173
RESID 199 (G):        N       109.227       109.227       109.473        -0.246
RESID 199 (G):        C       175.335       175.335       174.808         0.527
RESID 199 (G):       CA        46.966        46.966        46.437         0.529
RESID 199 (G):        H         8.177         8.177         8.332        -0.155
RESID 200 (I):        N       123.036       123.036       121.404         1.632
RESID 200 (I):       HA         3.493         3.493         3.653        -0.160
RESID 200 (I):        C       178.329       178.329       176.341         1.988
RESID 200 (I):       CA        64.940        64.940        62.987         1.953
RESID 200 (I):       CB        36.330        36.330        38.390        -2.060
RESID 200 (I):        H         7.474         7.474         8.236        -0.762
RESID 201 (A):        N       121.122       121.122       120.651         0.471
RESID 201 (A):       HA         4.501         4.501         4.091         0.410
RESID 201 (A):        C       179.480       179.480       179.144         0.336
RESID 201 (A):       CA        53.082        53.082        54.145        -1.063
RESID 201 (A):       CB        18.054        18.054        18.454        -0.400
RESID 201 (A):        H         7.739         7.739         7.486         0.253
RESID 202 (R):        N       115.981       115.981       114.475         1.506
RESID 202 (R):       HA         3.853         3.853         4.210        -0.357
RESID 202 (R):        C       177.874       177.874       176.315         1.559
RESID 202 (R):       CA        58.391        58.391        56.478         1.913
RESID 202 (R):       CB        31.163        31.163        29.928         1.235
RESID 202 (R):        H         7.968         7.968         7.658         0.310
RESID 203 (N):        N       111.860       111.860       114.541        -2.681
RESID 203 (N):       HA         4.362         4.362         4.613        -0.251
RESID 203 (N):        C       175.317       175.317       175.091         0.226
RESID 203 (N):       CA        53.644        53.644        53.738        -0.094
RESID 203 (N):       CB        40.307        40.307        40.777        -0.470
RESID 203 (N):        H         7.591         7.591         7.349         0.242
RESID 204 (H):        N       118.469       118.469       113.861         4.608
RESID 204 (H):       HA         4.670         4.670         5.013        -0.343
RESID 204 (H):        C       172.483       172.483       173.852        -1.369
RESID 204 (H):       CA        59.079        59.079        56.126         2.953
RESID 204 (H):       CB        33.877        33.877        31.532         2.345
RESID 204 (H):        H         8.389         8.389         7.251         1.138
RESID 205 (Y):        N       111.831       111.831       115.172        -3.341
RESID 205 (Y):       HA         4.363         4.363         5.007        -0.644
RESID 205 (Y):        C       173.387       173.387       173.242         0.145
RESID 205 (Y):       CA        56.400        56.400        56.109         0.291
RESID 205 (Y):       CB        39.523        39.523        40.079        -0.556
RESID 205 (Y):        H         7.240         7.240         7.870        -0.630
RESID 206 (D):        N       117.047       117.047       121.634        -4.587
RESID 206 (D):       HA         4.033         4.033         4.652        -0.619
RESID 206 (D):        C       175.864       175.864       175.815         0.049
RESID 206 (D):       CA        56.391        56.391        55.049         1.342
RESID 206 (D):       CB        40.166        40.166        41.255        -1.089
RESID 206 (D):        H         8.304         8.304         8.465        -0.161
RESID 207 (C):        N       125.983       125.983       123.705         2.278
RESID 207 (C):       HA         4.694         4.694         4.764        -0.070
RESID 207 (C):        C       172.708       172.708       174.909        -2.201
RESID 207 (C):       CA        57.910        57.910        57.463         0.447
RESID 207 (C):       CB        26.861        26.861        31.621        -4.760
RESID 207 (C):        H         7.581         7.581         8.049        -0.468
RESID 208 (G):        N       113.288       113.288       108.008         5.280
RESID 208 (G):        C       173.509       173.509       173.220         0.289
RESID 208 (G):       CA        44.579        44.579        44.318         0.261
RESID 208 (G):        H         8.359         8.359         8.468        -0.109
RESID 209 (Y):        N       116.731       116.731       119.354        -2.623
RESID 209 (Y):       HA         3.965         3.965         4.629        -0.664
RESID 209 (Y):        C       177.981       177.981       176.723         1.258
RESID 209 (Y):       CA        64.964        64.964        56.527         8.437
RESID 209 (Y):       CB        38.046        38.046        37.582         0.464
RESID 209 (Y):        H         8.283         8.283         7.932         0.351
RESID 210 (E):        N       119.927       119.927       121.638        -1.711
RESID 210 (E):       HA         4.089         4.089         4.011         0.078
RESID 210 (E):        C       178.511       178.511       178.738        -0.227
RESID 210 (E):       CA        60.166        60.166        59.458         0.708
RESID 210 (E):       CB        28.747        28.747        29.064        -0.317
RESID 210 (E):        H         8.870         8.870         8.481         0.389
RESID 211 (M):        N       120.242       120.242       115.327         4.915
RESID 211 (M):       HA         3.914         3.914         4.086        -0.172
RESID 211 (M):       CA        57.257        57.257        59.000        -1.743
RESID 211 (M):       CB        31.938        31.938        31.912         0.026
RESID 211 (M):        H         8.047         8.047         8.200        -0.153
RESID 212 (H):        N       120.018       120.018       119.800         0.218
RESID 212 (H):       HA         3.977         3.977         4.043        -0.066
RESID 212 (H):        C       178.034       178.034       177.601         0.433
RESID 212 (H):       CA        59.099        59.099        59.145        -0.046
RESID 212 (H):       CB        33.381        33.381        29.802         3.579
RESID 212 (H):        H         8.647         8.647         8.578         0.069
RESID 213 (T):        N       107.780       107.780       111.906        -4.126
RESID 213 (T):       HA         3.775         3.775         3.916        -0.141
RESID 213 (T):        C       176.569       176.569       176.472         0.097
RESID 213 (T):       CA        65.841        65.841        66.677        -0.836
RESID 213 (T):       CB        68.584        68.584        68.870        -0.286
RESID 213 (T):        H         8.140         8.140         7.781         0.359
RESID 214 (C):        N       120.727       120.727       121.288        -0.561
RESID 214 (C):       HA         4.039         4.039         4.231        -0.192
RESID 214 (C):       CA        63.078        63.078        63.241        -0.163
RESID 214 (C):        H         7.337         7.337         7.889        -0.552
RESID 215 (L):        N       121.760       121.760       122.220        -0.460
RESID 215 (L):       HA         3.406         3.406         3.882        -0.476
RESID 215 (L):        C       176.549       176.549       178.912        -2.363
RESID 215 (L):       CA        57.581        57.581        57.597        -0.016
RESID 215 (L):       CB        40.459        40.459        41.005        -0.546
RESID 215 (L):        H         7.696         7.696         8.932        -1.236
RESID 216 (G):        N       101.717       101.717       106.228        -4.511
RESID 216 (G):        C       174.717       174.717       176.112        -1.395
RESID 216 (G):       CA        47.445        47.445        47.480        -0.035
RESID 216 (G):        H         7.849         7.849         8.502        -0.653
RESID 217 (E):        N       115.126       115.126       121.478        -6.352
RESID 217 (E):       HA         4.021         4.021         4.066        -0.045
RESID 217 (E):        C       179.892       179.892       179.204         0.688
RESID 217 (E):       CA        58.378        58.378        58.780        -0.402
RESID 217 (E):       CB        28.933        28.933        28.972        -0.039
RESID 217 (E):        H         7.572         7.572         7.901        -0.329
RESID 218 (M):        N       123.032       123.032       118.888         4.144
RESID 218 (M):       HA         3.993         3.993         4.465        -0.472
RESID 218 (M):        C       177.036       177.036       178.306        -1.270
RESID 218 (M):       CA        58.596        58.596        57.644         0.952
RESID 218 (M):       CB        32.582        32.582        32.550         0.032
RESID 218 (M):        H         7.495         7.495         8.344        -0.849
RESID 219 (Y):        N       115.483       115.483       121.836        -6.353
RESID 219 (Y):       HA         4.174         4.174         4.123         0.051
RESID 219 (Y):        C       176.350       176.350       177.163        -0.813
RESID 219 (Y):       CA        56.530        56.530        62.071        -5.541
RESID 219 (Y):       CB        35.854        35.854        38.675        -2.821
RESID 219 (Y):        H         7.521         7.521         8.130        -0.609
RESID 220 (V):        N       109.054       109.054       113.683        -4.629
RESID 220 (V):       HA         4.022         4.022         4.095        -0.073
RESID 220 (V):        C       176.266       176.266       177.266        -1.000
RESID 220 (V):       CA        62.095        62.095        64.482        -2.387
RESID 220 (V):       CB        32.980        32.980        31.645         1.335
RESID 220 (V):        H         6.817         6.817         7.473        -0.656
RESID 221 (S):        N       115.276       115.276       115.587        -0.311
RESID 221 (S):       HA         4.368         4.368         4.251         0.117
RESID 221 (S):        C       174.071       174.071       175.223        -1.152
RESID 221 (S):       CA        59.950        59.950        60.552        -0.602
RESID 221 (S):       CB        63.608        63.608        63.779        -0.171
RESID 221 (S):        H         8.278         8.278         7.592         0.686
RESID 222 (D):        N       122.686       122.686       122.161         0.525
RESID 222 (D):       HA         4.962         4.962         4.943         0.019
RESID 222 (D):        C       176.246       176.246       176.235         0.011
RESID 222 (D):       CA        52.489        52.489        53.754        -1.265
RESID 222 (D):       CB        41.604        41.604        42.307        -0.703
RESID 222 (D):        H         8.238         8.238         7.586         0.652
RESID 223 (E):        N       124.836       124.836       123.598         1.238
RESID 223 (E):       HA         4.306         4.306         4.093         0.213
RESID 223 (E):        C       177.201       177.201       178.338        -1.137
RESID 223 (E):       CA        58.566        58.566        59.445        -0.879
RESID 223 (E):       CB        29.326        29.326        29.342        -0.016
RESID 223 (E):        H         8.932         8.932         9.032        -0.100
RESID 224 (R):        N       117.537       117.537       117.690        -0.153
RESID 224 (R):       HA         4.102         4.102         4.099         0.003
RESID 224 (R):        C       181.161       181.161       178.285         2.876
RESID 224 (R):       CA        58.642        58.642        58.342         0.300
RESID 224 (R):       CB        30.996        30.996        29.276         1.720
RESID 224 (R):        H         8.429         8.429         8.617        -0.188
RESID 225 (F):        N       116.733       116.733       119.354        -2.621
RESID 225 (F):       HA         4.149         4.149         4.454        -0.305
RESID 225 (F):        C       177.880       177.880       177.464         0.416
RESID 225 (F):       CA        60.916        60.916        61.476        -0.560
RESID 225 (F):       CB        39.728        39.728        38.808         0.920
RESID 225 (F):        H         7.830         7.830         7.659         0.171
RESID 226 (T):        N       116.162       116.162       116.188        -0.026
RESID 226 (T):       HA         3.637         3.637         4.140        -0.503
RESID 226 (T):        C       176.142       176.142       176.652        -0.510
RESID 226 (T):       CA        67.025        67.025        67.803        -0.778
RESID 226 (T):       CB        68.865        68.865        68.849         0.016
RESID 226 (T):        H         8.182         8.182         7.948         0.234
RESID 227 (R):        N       115.469       115.469       120.598        -5.129
RESID 227 (R):       HA         3.984         3.984         4.549        -0.565
RESID 227 (R):        C       178.758       178.758       178.399         0.359
RESID 227 (R):       CA        59.109        59.109        58.748         0.361
RESID 227 (R):       CB        30.331        30.331        30.092         0.239
RESID 227 (R):        H         8.388         8.388         8.269         0.119
RESID 228 (N):        N       116.518       116.518       117.765        -1.247
RESID 228 (N):       HA         4.637         4.637         4.628         0.009
RESID 228 (N):        C       177.791       177.791       177.345         0.446
RESID 228 (N):       CA        55.214        55.214        55.671        -0.457
RESID 228 (N):       CB        38.118        38.118        38.671        -0.553
RESID 228 (N):        H         6.883         6.883         7.698        -0.815
RESID 229 (I):        N       122.529       122.529       118.600         3.929
RESID 229 (I):       HA         3.824         3.824         3.897        -0.073
RESID 229 (I):        C       178.564       178.564       177.604         0.960
RESID 229 (I):       CA        65.206        65.206        64.774         0.432
RESID 229 (I):       CB        39.514        39.514        38.537         0.977
RESID 229 (I):        H         8.636         8.636         8.257         0.379
RESID 230 (D):        N       118.458       118.458       120.132        -1.674
RESID 230 (D):       HA         4.686         4.686         4.537         0.149
RESID 230 (D):        C       177.491       177.491       177.842        -0.351
RESID 230 (D):       CA        55.594        55.594        56.113        -0.519
RESID 230 (D):       CB        38.864        38.864        40.056        -1.192
RESID 230 (D):        H         8.866         8.866         8.693         0.173
RESID 231 (A):        N       123.132       123.132       122.730         0.402
RESID 231 (A):       HA         4.053         4.053         4.105        -0.052
RESID 231 (A):        C       179.554       179.554       178.476         1.078
RESID 231 (A):       CA        54.925        54.925        54.568         0.357
RESID 231 (A):       CB        18.199        18.199        18.079         0.120
RESID 231 (A):        H         7.074         7.074         7.882        -0.808
RESID 232 (A):        N       116.232       116.232       118.942        -2.710
RESID 232 (A):       HA         4.203         4.203         4.308        -0.105
RESID 232 (A):        C       178.208       178.208       177.154         1.054
RESID 232 (A):       CA        53.686        53.686        52.644         1.042
RESID 232 (A):       CB        19.446        19.446        20.047        -0.601
RESID 232 (A):        H         7.505         7.505         7.719        -0.214
RESID 233 (K):        N       116.503       116.503       118.521        -2.018
RESID 233 (K):       HA         4.464         4.464         4.760        -0.296
RESID 233 (K):       CA        54.363        54.363        53.136         1.227
RESID 233 (K):       CB        34.836        34.836        33.587         1.249
RESID 233 (K):        H         6.678         6.678         7.767        -1.089
RESID 234 (P):       HA         4.277         4.277         4.414        -0.137
RESID 234 (P):        C       177.398       177.398       177.590        -0.192
RESID 234 (P):       CA        64.067        64.067        63.544         0.523
RESID 234 (P):       CB        31.749        31.749        31.371         0.378
RESID 235 (G):        N       112.543       112.543       111.928         0.615
RESID 235 (G):        C       174.848       174.848       173.732         1.116
RESID 235 (G):       CA        45.098        45.098        45.476        -0.378
RESID 235 (G):        H         8.705         8.705         8.667         0.038
RESID 236 (L):        N       126.659       126.659       116.976         9.683
RESID 236 (L):       HA         4.270         4.270         4.581        -0.311
RESID 236 (L):        C       177.242       177.242       176.621         0.621
RESID 236 (L):       CA        57.890        57.890        55.622         2.268
RESID 236 (L):       CB        41.658        41.658        42.928        -1.270
RESID 236 (L):        H         7.919         7.919         7.740         0.179
RESID 237 (A):        N       126.005       126.005       124.477         1.528
RESID 237 (A):       HA         3.745         3.745         3.903        -0.158
RESID 237 (A):        C       179.077       179.077       178.561         0.516
RESID 237 (A):       CA        56.464        56.464        55.211         1.253
RESID 237 (A):       CB        17.932        17.932        17.898         0.034
RESID 237 (A):        H        10.901        10.901         8.718         2.183
RESID 238 (A):        N       118.189       118.189       119.397        -1.208
RESID 238 (A):       HA         3.764         3.764         3.890        -0.126
RESID 238 (A):        C       178.967       178.967       177.987         0.980
RESID 238 (A):       CA        54.549        54.549        54.493         0.056
RESID 238 (A):       CB        17.675        17.675        18.166        -0.491
RESID 238 (A):        H         8.168         8.168         8.255        -0.087
RESID 239 (Y):        N       121.259       121.259       118.898         2.361
RESID 239 (Y):       HA         4.073         4.073         4.143        -0.070
RESID 239 (Y):        C       177.802       177.802       177.044         0.758
RESID 239 (Y):       CA        62.144        62.144        60.940         1.204
RESID 239 (Y):       CB        39.874        39.874        38.203         1.671
RESID 239 (Y):        H         7.940         7.940         7.619         0.321
RESID 240 (M):        N       116.383       116.383       118.315        -1.932
RESID 240 (M):       HA         3.300         3.300         3.814        -0.514
RESID 240 (M):        C       177.926       177.926       177.977        -0.051
RESID 240 (M):       CA        60.325        60.325        59.402         0.923
RESID 240 (M):       CB        33.236        33.236        32.105         1.131
RESID 240 (M):        H         9.169         9.169         8.265         0.904
RESID 241 (R):        N       118.201       118.201       120.242        -2.041
RESID 241 (R):       HA         3.397         3.397         3.771        -0.374
RESID 241 (R):        C       178.188       178.188       178.370        -0.182
RESID 241 (R):       CA        60.728        60.728        59.368         1.360
RESID 241 (R):       CB        28.104        28.104        29.469        -1.365
RESID 241 (R):        H         8.479         8.479         7.278         1.201
RESID 242 (D):        N       119.314       119.314       118.649         0.665
RESID 242 (D):       HA         4.165         4.165         4.377        -0.212
RESID 242 (D):        C       178.707       178.707       178.301         0.406
RESID 242 (D):       CA        57.489        57.489        56.744         0.745
RESID 242 (D):       CB        39.827        39.827        40.184        -0.357
RESID 242 (D):        H         8.016         8.016         7.787         0.229
RESID 243 (A):        N       127.195       127.195       123.538         3.657
RESID 243 (A):       HA         4.399         4.399         4.119         0.280
RESID 243 (A):        C       179.891       179.891       179.433         0.458
RESID 243 (A):       CA        54.946        54.946        54.453         0.493
RESID 243 (A):       CB        19.100        19.100        18.466         0.634
RESID 243 (A):        H         8.620         8.620         7.624         0.996
RESID 244 (I):        N       120.697       120.697       119.703         0.994
RESID 244 (I):       HA         3.540         3.540         3.326         0.214
RESID 244 (I):        C       179.591       179.591       177.084         2.507
RESID 244 (I):       CA        65.737        65.737        64.404         1.333
RESID 244 (I):       CB        37.579        37.579        37.942        -0.363
RESID 244 (I):        H         8.871         8.871         8.294         0.577
RESID 245 (L):        N       121.753       121.753       120.147         1.606
RESID 245 (L):       HA         3.987         3.987         3.859         0.128
RESID 245 (L):        C       179.065       179.065       178.475         0.590
RESID 245 (L):       CA        58.462        58.462        57.675         0.787
RESID 245 (L):       CB        41.173        41.173        41.825        -0.652
RESID 245 (L):        H         8.311         8.311         7.817         0.494
RESID 246 (A):        N       121.174       121.174       120.236         0.938
RESID 246 (A):       HA         4.081         4.081         3.839         0.242
RESID 246 (A):        C       180.864       180.864       179.372         1.492
RESID 246 (A):       CA        55.306        55.306        55.093         0.214
RESID 246 (A):       CB        16.939        16.939        17.886        -0.947
RESID 246 (A):        H         8.100         8.100         7.713         0.387
RESID 247 (N):        N       117.391       117.391       117.107         0.284
RESID 247 (N):       HA         4.582         4.582         4.296         0.286
RESID 247 (N):        C       177.205       177.205       177.174         0.031
RESID 247 (N):       CA        56.362        56.362        55.989         0.373
RESID 247 (N):       CB        40.264        40.264        38.272         1.992
RESID 247 (N):        H         8.948         8.948         7.750         1.198
RESID 248 (A):        N       124.544       124.544       119.984         4.560
RESID 248 (A):       HA         3.917         3.917         3.893         0.024
RESID 248 (A):        C       180.931       180.931       179.186         1.745
RESID 248 (A):       CA        55.851        55.851        54.630         1.221
RESID 248 (A):       CB        17.991        17.991        18.608        -0.617
RESID 248 (A):        H         8.432         8.432         7.649         0.783
RESID 249 (V):        N       120.469       120.469       117.672         2.797
RESID 249 (V):       HA         3.575         3.575         3.705        -0.130
RESID 249 (V):        C       179.608       179.608       177.797         1.811
RESID 249 (V):       CA        66.636        66.636        65.587         1.049
RESID 249 (V):       CB        31.449        31.449        31.469        -0.020
RESID 249 (V):        H         8.214         8.214         7.453         0.761
RESID 250 (R):        N       116.667       116.667       116.177         0.490
RESID 250 (R):       HA         4.269         4.269         4.204         0.065
RESID 250 (R):        C       176.251       176.251       177.230        -0.979
RESID 250 (R):       CA        57.938        57.938        57.487         0.451
RESID 250 (R):       CB        28.897        28.897        30.736        -1.839
RESID 250 (R):        H         7.583         7.583         7.379         0.204
RESID 251 (H):        N       115.928       115.928       114.717         1.211
RESID 251 (H):       HA         4.472         4.472         4.547        -0.075
RESID 251 (H):        C       173.245       173.245       174.694        -1.449
RESID 251 (H):       CA        56.667        56.667        55.986         0.681
RESID 251 (H):       CB        28.543        28.543        29.825        -1.282
RESID 251 (H):        H         7.163         7.163         7.656        -0.493
RESID 252 (T):        N       118.280       118.280       114.977         3.303
RESID 252 (T):       HA         4.517         4.517         4.582        -0.065
RESID 252 (T):       CA        60.673        60.673        58.836         1.837
RESID 252 (T):       CB        70.034        70.034        69.957         0.077
RESID 252 (T):        H         7.449         7.449         7.245         0.204

                         N          HA           C          CA          CB           H
RESID 113 (N):      -2.352      -0.017       0.214      -0.076      -1.321       0.041
RESID 114 (L):      -4.299       0.228       0.894      -0.548       0.521      -0.138
RESID 115 (T):       1.349      -0.031       -----       2.214      -1.362       1.046
RESID 116 (P):       -----       0.157       0.739       0.542      -0.137       -----
RESID 117 (E):       1.023      -0.190       0.474       1.389      -0.054      -0.078
RESID 118 (E):       0.283      -0.141      -0.225       0.112       1.924      -0.069
RESID 119 (K):      -2.610      -0.321      -1.153       0.779       0.463       0.228
RESID 120 (F):       0.969       0.309       -----      -0.274       0.848       0.449
RESID 121 (E):      -0.711      -0.296      -0.709       0.132       0.292       0.165
RESID 122 (V):      -3.499      -0.083       1.422       1.384       0.648      -0.077
RESID 123 (F):      -1.316       0.207       1.197      -1.527      -1.099       0.199
RESID 124 (G):       1.588       -----      -0.961      -1.226       -----      -0.633
RESID 125 (D):       3.015      -0.430       0.981       0.269      -2.351      -0.208
RESID 126 (F):      -0.969      -0.339      -0.249       0.423       0.505      -0.196
RESID 127 (D):      -2.625       0.496       -----      -1.510      -0.826       0.389
RESID 128 (P):       -----       0.096       1.304      -1.223       0.683       -----
RESID 129 (D):      -0.049       0.127       0.151      -0.733      -0.327      -0.557
RESID 130 (Q):      -0.296      -0.148      -2.535      -1.648      -0.714      -1.115
RESID 131 (Y):      -2.500       0.236      -3.051       1.111       2.531      -0.515
RESID 132 (E):      -2.022      -0.056      -0.194       0.203       0.528      -1.545
RESID 133 (E):       0.389       0.069      -1.103       0.113      -0.764       0.992
RESID 134 (E):       3.469      -0.119      -1.128       0.463      -0.360       0.325
RESID 135 (V):      -2.154      -0.189      -0.058       0.058      -0.196       0.554
RESID 136 (R):      -2.069      -0.834       1.347       0.510       0.182      -0.398
RESID 137 (E):       2.975      -0.354      -0.008       0.750      -0.365       0.861
RESID 138 (R):      -3.137      -0.358       1.313       0.542       0.738       0.554
RESID 139 (W):      -3.414       0.267       0.080      -1.494      -1.682       0.645
RESID 140 (G):       3.154       -----      -0.442      -0.004       -----      -0.335
RESID 141 (N):       4.009       0.267       1.463      -0.234      -0.239       0.241
RESID 142 (T):      -4.673       0.207       0.817       0.127       2.835       0.282
RESID 143 (D):      -4.276       0.202       0.841      -0.504      -0.070       0.145
RESID 144 (A):       0.933       0.439       1.292       0.453       0.043       0.360
RESID 145 (Y):      -1.453       0.174       0.123       2.082       1.849       0.857
RESID 146 (R):       1.703       0.220       0.457       1.345       0.876       0.024
RESID 147 (Q):       0.273       0.004       0.711       0.727       0.578       1.035
RESID 148 (S):      -0.520       0.858       1.605      -0.172       0.542       0.810
RESID 149 (K):       5.608       0.086      -0.431       0.305      -0.131       0.980
RESID 150 (E):      -1.502       0.036       0.453      -0.349       0.069      -0.243
RESID 151 (K):       3.097      -0.307       0.206       1.068       0.725       0.252
RESID 152 (T):      -9.324       0.864       -----      -1.152       1.424       0.239
RESID 153 (A):      -0.032       0.118       0.049       0.354       0.272      -0.151
RESID 154 (S):      -2.795       0.141       0.674      -0.472       -----      -0.282
RESID 155 (Y):       1.092       0.588       1.898      -2.153      -1.347      -0.441
RESID 156 (T):      -0.920       0.120       0.437       0.753       0.874       0.595
RESID 157 (K):      -1.569      -0.255      -1.262       1.023      -0.455       0.496
RESID 158 (E):      -2.819       0.058       0.983      -0.427       0.654      -0.429
RESID 159 (D):       0.304      -0.041      -1.229       0.291       0.726      -0.836
RESID 160 (W):      -3.230      -0.021      -0.199       0.163       0.221       0.359
RESID 161 (Q):      -0.919      -0.022      -0.864      -0.126       0.650       0.269
RESID 162 (R):       0.477      -0.027      -0.601       0.372      -1.256      -0.084
RESID 163 (I):      -0.728      -0.469       1.027       0.539       0.270      -0.200
RESID 164 (Q):       2.683       0.315       0.473      -0.746       1.612      -0.052
RESID 165 (D):       2.713       0.131       1.516       0.052      -1.145       0.249
RESID 166 (E):       1.335      -0.081       1.635       0.044       0.010       0.907
RESID 167 (A):       0.606       0.393       0.979      -0.179      -0.241       0.033
RESID 168 (D):       1.364       0.304       0.171      -1.102       0.640       0.404
RESID 169 (E):       0.202       0.079       0.152       0.103      -0.788       0.218
RESID 170 (L):       1.539       0.178       0.395       0.520       0.061      -0.509
RESID 171 (T):       2.314       0.306      -0.573       0.993      -0.217       0.799
RESID 172 (R):      -2.434      -0.029       0.795       0.141      -0.110      -0.369
RESID 173 (R):       1.981      -0.202       0.675       0.516       0.820       0.153
RESID 174 (F):      -1.937      -0.105      -0.112       3.955       2.254       0.571
RESID 175 (V):      -1.695      -0.436      -1.240       0.819       0.558      -0.000
RESID 176 (A):      -1.767       0.093       2.512      -0.067      -0.964       0.157
RESID 177 (L):       5.948      -0.482       0.335       1.288      -0.716      -0.388
RESID 178 (M):      -1.780      -0.189       3.249       2.040       2.307      -0.657
RESID 179 (D):       0.071       0.043      -0.120       0.239      -0.099       0.575
RESID 180 (A):       0.207       0.110      -0.184      -0.011       0.589       0.024
RESID 181 (G):       0.539       -----       1.256       0.543       -----       0.002
RESID 182 (E):      -1.587       0.054       -----       0.939      -2.059       0.247
RESID 183 (P):       -----       0.229       0.175      -0.371       0.606       -----
RESID 184 (A):       2.057      -0.409      -4.162       0.477       0.807       0.441
RESID 185 (D):      -5.338      -0.042       0.846      -1.853      -0.640      -0.895
RESID 186 (S):      -4.083      -0.084      -1.043      -1.546       1.102       0.242
RESID 187 (E):      -3.452      -0.368      -0.547       0.395      -0.101       0.096
RESID 188 (G):      -3.040       -----       1.216       0.268       -----       0.560
RESID 189 (A):       0.750       0.028       0.440       0.659      -0.407       0.454
RESID 190 (M):       0.213      -0.005       1.088       1.828       1.087      -0.161
RESID 191 (D):       0.404      -0.145       0.640       0.406      -0.728       0.767
RESID 192 (A):       0.929      -0.216      -0.452       0.283      -2.486       0.252
RESID 193 (A):      -0.382       0.356      -0.193       0.314       0.230       0.383
RESID 194 (E):       3.254       0.470      -0.268      -1.101      -2.088       0.855
RESID 195 (D):       2.429       0.008       1.393       0.412      -1.404       0.258
RESID 196 (H):       4.486      -0.137       0.141       1.409       1.053       0.683
RESID 197 (R):       3.285      -1.253      -0.693       0.413       1.158      -0.597
RESID 198 (Q):      -2.194      -0.540       0.480       1.089      -1.103       0.173
RESID 199 (G):      -0.246       -----       0.527       0.529       -----      -0.155
RESID 200 (I):       1.632      -0.160       1.988       1.953      -2.060      -0.762
RESID 201 (A):       0.471       0.410       0.336      -1.063      -0.400       0.253
RESID 202 (R):       1.506      -0.357       1.559       1.913       1.235       0.310
RESID 203 (N):      -2.681      -0.251       0.226      -0.094      -0.470       0.242
RESID 204 (H):       4.608      -0.343      -1.369       2.953       2.345       1.138
RESID 205 (Y):      -3.341      -0.644       0.145       0.291      -0.556      -0.630
RESID 206 (D):      -4.587      -0.619       0.049       1.342      -1.089      -0.161
RESID 207 (C):       2.278      -0.070      -2.201       0.447      -4.760      -0.468
RESID 208 (G):       5.280       -----       0.289       0.261       -----      -0.109
RESID 209 (Y):      -2.623      -0.664       1.258       8.437       0.464       0.351
RESID 210 (E):      -1.711       0.078      -0.227       0.708      -0.317       0.389
RESID 211 (M):       4.915      -0.172       -----      -1.743       0.026      -0.153
RESID 212 (H):       0.218      -0.066       0.433      -0.046       3.579       0.069
RESID 213 (T):      -4.126      -0.141       0.097      -0.836      -0.286       0.359
RESID 214 (C):      -0.561      -0.192       -----      -0.163       -----      -0.552
RESID 215 (L):      -0.460      -0.476      -2.363      -0.016      -0.546      -1.236
RESID 216 (G):      -4.511       -----      -1.395      -0.035       -----      -0.653
RESID 217 (E):      -6.352      -0.045       0.688      -0.402      -0.039      -0.329
RESID 218 (M):       4.144      -0.472      -1.270       0.952       0.032      -0.849
RESID 219 (Y):      -6.353       0.051      -0.813      -5.541      -2.821      -0.609
RESID 220 (V):      -4.629      -0.073      -1.000      -2.387       1.335      -0.656
RESID 221 (S):      -0.311       0.117      -1.152      -0.602      -0.171       0.686
RESID 222 (D):       0.525       0.019       0.011      -1.265      -0.703       0.652
RESID 223 (E):       1.238       0.213      -1.137      -0.879      -0.016      -0.100
RESID 224 (R):      -0.153       0.003       2.876       0.300       1.720      -0.188
RESID 225 (F):      -2.621      -0.305       0.416      -0.560       0.920       0.171
RESID 226 (T):      -0.026      -0.503      -0.510      -0.778       0.016       0.234
RESID 227 (R):      -5.129      -0.565       0.359       0.361       0.239       0.119
RESID 228 (N):      -1.247       0.009       0.446      -0.457      -0.553      -0.815
RESID 229 (I):       3.929      -0.073       0.960       0.432       0.977       0.379
RESID 230 (D):      -1.674       0.149      -0.351      -0.519      -1.192       0.173
RESID 231 (A):       0.402      -0.052       1.078       0.357       0.120      -0.808
RESID 232 (A):      -2.710      -0.105       1.054       1.042      -0.601      -0.214
RESID 233 (K):      -2.018      -0.296       -----       1.227       1.249      -1.089
RESID 234 (P):       -----      -0.137      -0.192       0.523       0.378       -----
RESID 235 (G):       0.615       -----       1.116      -0.378       -----       0.038
RESID 236 (L):       9.683      -0.311       0.621       2.268      -1.270       0.179
RESID 237 (A):       1.528      -0.158       0.516       1.253       0.034       2.183
RESID 238 (A):      -1.208      -0.126       0.980       0.056      -0.491      -0.087
RESID 239 (Y):       2.361      -0.070       0.758       1.204       1.671       0.321
RESID 240 (M):      -1.932      -0.514      -0.051       0.923       1.131       0.904
RESID 241 (R):      -2.041      -0.374      -0.182       1.360      -1.365       1.201
RESID 242 (D):       0.665      -0.212       0.406       0.745      -0.357       0.229
RESID 243 (A):       3.657       0.280       0.458       0.493       0.634       0.996
RESID 244 (I):       0.994       0.214       2.507       1.333      -0.363       0.577
RESID 245 (L):       1.606       0.128       0.590       0.787      -0.652       0.494
RESID 246 (A):       0.938       0.242       1.492       0.214      -0.947       0.387
RESID 247 (N):       0.284       0.286       0.031       0.373       1.992       1.198
RESID 248 (A):       4.560       0.024       1.745       1.221      -0.617       0.783
RESID 249 (V):       2.797      -0.130       1.811       1.049      -0.020       0.761
RESID 250 (R):       0.490       0.065      -0.979       0.451      -1.839       0.204
RESID 251 (H):       1.211      -0.075      -1.449       0.681      -1.282      -0.493
RESID 252 (T):       3.303      -0.065       -----       1.837       0.077       0.204

DATA CS_STAT_INFO  N  RMS:   2.853 ppm Count: 137 Average Difference:  0.175 +/- 2.858 ppm
DATA CS_STAT_INFO  HA RMS:   0.319 ppm Count: 149 Average Difference:  0.049 +/- 0.316 ppm
DATA CS_STAT_INFO  C  RMS:   1.137 ppm Count: 132 Average Difference: -0.227 +/- 1.118 ppm
DATA CS_STAT_INFO  CA RMS:   1.322 ppm Count: 141 Average Difference: -0.286 +/- 1.296 ppm
DATA CS_STAT_INFO  CB RMS:   1.190 ppm Count: 131 Average Difference: -0.027 +/- 1.194 ppm
DATA CS_STAT_INFO  HN RMS:   0.579 ppm Count: 137 Average Difference: -0.119 +/- 0.569 ppm


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

                   Atom      Original     Corrected        SPARTA    Difference
RESID 112 (I):        N       120.180       120.180       124.509        -4.329
RESID 112 (I):       HA         4.320         4.320         4.186         0.134
RESID 112 (I):        C       176.436       176.436       176.014         0.422
RESID 112 (I):       CA        61.350        61.350        60.809         0.541
RESID 112 (I):       CB        38.688        38.688        37.317         1.371
RESID 112 (I):        H         8.735         8.735         8.081         0.654
RESID 113 (N):        N       125.593       125.593       128.241        -2.648
RESID 113 (N):       HA         4.915         4.915         5.014        -0.099
RESID 113 (N):        C       174.326       174.326       173.924         0.402
RESID 113 (N):       CA        52.993        52.993        52.747         0.246
RESID 113 (N):       CB        37.402        37.402        38.125        -0.723
RESID 113 (N):        H         8.939         8.939         8.842         0.097
RESID 114 (L):        N       120.224       120.224       122.742        -2.518
RESID 114 (L):       HA         4.943         4.943         4.670         0.273
RESID 114 (L):        C       176.954       176.954       176.366         0.588
RESID 114 (L):       CA        53.421        53.421        54.236        -0.815
RESID 114 (L):       CB        46.761        46.761        45.707         1.054
RESID 114 (L):        H         7.667         7.667         7.889        -0.222
RESID 115 (T):        N       114.226       114.226       117.244        -3.018
RESID 115 (T):       HA         4.661         4.661         4.726        -0.065
RESID 115 (T):       CA        60.696        60.696        58.541         2.155
RESID 115 (T):       CB        67.843        67.843        70.263        -2.420
RESID 115 (T):        H         9.357         9.357         8.540         0.817
RESID 116 (P):       HA         4.150         4.150         4.337        -0.187
RESID 116 (P):        C       179.425       179.425       178.645         0.780
RESID 116 (P):       CA        66.423        66.423        65.871         0.552
RESID 116 (P):       CB        31.661        31.661        31.814        -0.153
RESID 117 (E):        N       116.894       116.894       117.559        -0.665
RESID 117 (E):       HA         4.117         4.117         4.032         0.085
RESID 117 (E):        C       179.580       179.580       178.916         0.664
RESID 117 (E):       CA        60.388        60.388        59.036         1.351
RESID 117 (E):       CB        28.810        28.810        29.360        -0.550
RESID 117 (E):        H         8.731         8.731         7.840         0.891
RESID 118 (E):        N       120.845       120.845       120.004         0.841
RESID 118 (E):       HA         4.011         4.011         4.218        -0.207
RESID 118 (E):        C       178.520       178.520       178.830        -0.310
RESID 118 (E):       CA        58.955        58.955        58.137         0.818
RESID 118 (E):       CB        31.576        31.576        29.260         2.316
RESID 118 (E):        H         7.779         7.779         7.749         0.030
RESID 119 (K):        N       117.419       117.419       120.611        -3.192
RESID 119 (K):       HA         3.741         3.741         4.071        -0.330
RESID 119 (K):        C       178.034       178.034       179.068        -1.034
RESID 119 (K):       CA        60.446        60.446        59.872         0.574
RESID 119 (K):       CB        32.524        32.524        32.404         0.120
RESID 119 (K):        H         8.723         8.723         8.323         0.400
RESID 120 (F):        N       117.618       117.618       116.700         0.918
RESID 120 (F):       HA         4.662         4.662         4.304         0.358
RESID 120 (F):       CA        60.444        60.444        60.937        -0.493
RESID 120 (F):       CB        38.788        38.788        38.360         0.428
RESID 120 (F):        H         7.819         7.819         8.361        -0.542
RESID 121 (E):        N       119.300       119.300       117.724         1.576
RESID 121 (E):       HA         3.793         3.793         4.171        -0.378
RESID 121 (E):        C       177.602       177.602       178.062        -0.460
RESID 121 (E):       CA        59.453        59.453        58.955         0.499
RESID 121 (E):       CB        29.815        29.815        29.384         0.431
RESID 121 (E):        H         7.898         7.898         8.162        -0.264
RESID 122 (V):        N       112.645       112.645       115.031        -2.386
RESID 122 (V):       HA         3.939         3.939         3.942        -0.003
RESID 122 (V):        C       177.072       177.072       176.334         0.738
RESID 122 (V):       CA        64.288        64.288        63.718         0.570
RESID 122 (V):       CB        33.050        33.050        31.843         1.207
RESID 122 (V):        H         7.668         7.668         7.570         0.098
RESID 123 (F):        N       116.335       116.335       117.282        -0.947
RESID 123 (F):       HA         5.020         5.020         4.518         0.502
RESID 123 (F):        C       177.796       177.796       176.297         1.499
RESID 123 (F):       CA        56.368        56.368        58.241        -1.873
RESID 123 (F):       CB        40.644        40.644        40.893        -0.249
RESID 123 (F):        H         8.632         8.632         8.215         0.417
RESID 124 (G):        N       112.227       112.227       106.945         5.282
RESID 124 (G):        C       174.159       174.159       173.537         0.622
RESID 124 (G):       CA        46.478        46.478        45.753         0.725
RESID 124 (G):        H         7.974         7.974         7.694         0.280
RESID 125 (D):        N       124.513       124.513       118.379         6.134
RESID 125 (D):       HA         4.613         4.613         4.261         0.352
RESID 125 (D):        C       175.890       175.890       174.207         1.683
RESID 125 (D):       CA        54.541        54.541        52.971         1.570
RESID 125 (D):       CB        40.610        40.610        41.331        -0.721
RESID 125 (D):        H         8.650         8.650         8.066         0.584
RESID 126 (F):        N       121.949       121.949       120.285         1.664
RESID 126 (F):       HA         4.152         4.152         4.498        -0.346
RESID 126 (F):        C       173.533       173.533       172.992         0.541
RESID 126 (F):       CA        58.831        58.831        56.380         2.450
RESID 126 (F):       CB        39.973        39.973        40.636        -0.663
RESID 126 (F):        H         7.640         7.640         7.616         0.024
RESID 127 (D):        N       125.341       125.341       127.159        -1.818
RESID 127 (D):       HA         4.908         4.908         4.798         0.111
RESID 127 (D):       CA        48.718        48.718        49.592        -0.874
RESID 127 (D):       CB        41.151        41.151        43.382        -2.231
RESID 127 (D):        H         7.764         7.764         8.083        -0.319
RESID 128 (P):       HA         3.722         3.722         3.786        -0.064
RESID 128 (P):        C       179.160       179.160       178.086         1.074
RESID 128 (P):       CA        63.531        63.531        64.421        -0.890
RESID 128 (P):       CB        32.580        32.580        32.339         0.241
RESID 129 (D):        N       117.916       117.916       120.437        -2.521
RESID 129 (D):       HA         4.352         4.352         4.412        -0.060
RESID 129 (D):        C       178.271       178.271       178.942        -0.671
RESID 129 (D):       CA        56.905        56.905        57.505        -0.600
RESID 129 (D):       CB        39.712        39.712        39.953        -0.241
RESID 129 (D):        H         7.758         7.758         8.081        -0.323
RESID 130 (Q):        N       116.475       116.475       118.225        -1.750
RESID 130 (Q):       HA         3.827         3.827         4.034        -0.207
RESID 130 (Q):        C       176.033       176.033       178.688        -2.655
RESID 130 (Q):       CA        57.050        57.050        58.483        -1.433
RESID 130 (Q):       CB        27.825        27.825        28.771        -0.946
RESID 130 (Q):        H         7.015         7.015         8.897        -1.882
RESID 131 (Y):        N       114.293       114.293       117.483        -3.190
RESID 131 (Y):       HA         4.716         4.716         4.403         0.313
RESID 131 (Y):        C       174.868       174.868       177.506        -2.638
RESID 131 (Y):       CA        57.346        57.346        57.993        -0.647
RESID 131 (Y):       CB        39.648        39.648        37.321         2.327
RESID 131 (Y):        H         6.769         6.769         7.683        -0.914
RESID 132 (E):        N       119.006       119.006       121.379        -2.373
RESID 132 (E):       HA         3.928         3.928         3.898         0.030
RESID 132 (E):        C       178.378       178.378       178.674        -0.296
RESID 132 (E):       CA        60.171        60.171        60.306        -0.135
RESID 132 (E):       CB        30.065        30.065        29.471         0.594
RESID 132 (E):        H         6.833         6.833         8.460        -1.627
RESID 133 (E):        N       119.319       119.319       117.674         1.645
RESID 133 (E):       HA         4.022         4.022         4.028        -0.006
RESID 133 (E):        C       177.728       177.728       178.539        -0.811
RESID 133 (E):       CA        59.325        59.325        59.063         0.262
RESID 133 (E):       CB        28.294        28.294        29.016        -0.722
RESID 133 (E):        H         8.611         8.611         7.704         0.907
RESID 134 (E):        N       122.908       122.908       120.867         2.041
RESID 134 (E):       HA         3.826         3.826         3.979        -0.153
RESID 134 (E):        C       177.780       177.780       178.709        -0.929
RESID 134 (E):       CA        59.062        59.062        59.013         0.049
RESID 134 (E):       CB        28.532        28.532        29.802        -1.270
RESID 134 (E):        H         8.094         8.094         7.594         0.500
RESID 135 (V):        N       118.079       118.079       117.434         0.645
RESID 135 (V):       HA         3.342         3.342         3.971        -0.629
RESID 135 (V):        C       177.633       177.633       177.641        -0.008
RESID 135 (V):       CA        65.657        65.657        65.511         0.146
RESID 135 (V):       CB        31.449        31.449        30.446         1.003
RESID 135 (V):        H         8.085         8.085         8.285        -0.200
RESID 136 (R):        N       117.865       117.865       121.426        -3.561
RESID 136 (R):       HA         3.125         3.125         4.135        -1.010
RESID 136 (R):        C       179.034       179.034       177.961         1.073
RESID 136 (R):       CA        59.253        59.253        59.650        -0.397
RESID 136 (R):       CB        29.856        29.856        29.950        -0.094
RESID 136 (R):        H         7.456         7.456         7.561        -0.105
RESID 137 (E):        N       120.727       120.727       117.886         2.841
RESID 137 (E):       HA         3.714         3.714         4.114        -0.401
RESID 137 (E):        C       178.690       178.690       178.819        -0.129
RESID 137 (E):       CA        59.274        59.274        58.411         0.863
RESID 137 (E):       CB        29.360        29.360        29.478        -0.118
RESID 137 (E):        H         8.517         8.517         7.682         0.835
RESID 138 (R):        N       115.311       115.311       118.307        -2.996
RESID 138 (R):       HA         3.567         3.567         3.750        -0.183
RESID 138 (R):        C       178.897       178.897       177.627         1.270
RESID 138 (R):       CA        58.754        58.754        58.632         0.122
RESID 138 (R):       CB        29.960        29.960        30.084        -0.124
RESID 138 (R):        H         8.090         8.090         7.627         0.463
RESID 139 (W):        N       114.241       114.241       115.587        -1.346
RESID 139 (W):       HA         5.078         5.078         4.912         0.166
RESID 139 (W):        C       177.169       177.169       177.581        -0.412
RESID 139 (W):       CA        56.174        56.174        58.041        -1.867
RESID 139 (W):       CB        28.194        28.194        30.377        -2.183
RESID 139 (W):        H         7.805         7.805         7.947        -0.142
RESID 140 (G):        N       110.185       110.185       107.675         2.510
RESID 140 (G):        C       173.518       173.518       174.217        -0.699
RESID 140 (G):       CA        46.717        46.717        46.848        -0.131
RESID 140 (G):        H         7.639         7.639         8.072        -0.433
RESID 141 (N):        N       116.211       116.211       113.238         2.973
RESID 141 (N):       HA         5.069         5.069         4.826         0.243
RESID 141 (N):        C       175.838       175.838       174.112         1.726
RESID 141 (N):       CA        52.249        52.249        53.078        -0.829
RESID 141 (N):       CB        38.104        38.104        40.001        -1.897
RESID 141 (N):        H         8.387         8.387         8.409        -0.022
RESID 142 (T):        N       110.347       110.347       115.006        -4.659
RESID 142 (T):       HA         4.704         4.704         4.521         0.183
RESID 142 (T):        C       175.832       175.832       175.034         0.798
RESID 142 (T):       CA        61.180        61.180        61.180        -0.000
RESID 142 (T):       CB        72.857        72.857        70.362         2.495
RESID 142 (T):        H         7.907         7.907         7.805         0.102
RESID 143 (D):        N       123.392       123.392       128.567        -5.175
RESID 143 (D):       HA         4.565         4.565         4.275         0.290
RESID 143 (D):        C       178.225       178.225       177.419         0.806
RESID 143 (D):       CA        57.387        57.387        58.206        -0.819
RESID 143 (D):       CB        40.346        40.346        40.521        -0.175
RESID 143 (D):        H         8.985         8.985         8.851         0.134
RESID 144 (A):        N       122.309       122.309       121.308         1.001
RESID 144 (A):       HA         3.963         3.963         3.268         0.695
RESID 144 (A):        C       179.688       179.688       178.558         1.130
RESID 144 (A):       CA        55.136        55.136        55.122         0.014
RESID 144 (A):       CB        17.566        17.566        17.559         0.007
RESID 144 (A):        H         8.476         8.476         7.810         0.666
RESID 145 (Y):        N       117.438       117.438       119.312        -1.874
RESID 145 (Y):       HA         4.283         4.283         4.174         0.109
RESID 145 (Y):        C       177.433       177.433       177.546        -0.113
RESID 145 (Y):       CA        62.243        62.243        59.065         3.178
RESID 145 (Y):       CB        40.171        40.171        38.091         2.080
RESID 145 (Y):        H         8.432         8.432         7.651         0.781
RESID 146 (R):        N       119.518       119.518       118.246         1.272
RESID 146 (R):       HA         3.847         3.847         3.530         0.317
RESID 146 (R):        C       179.450       179.450       178.806         0.644
RESID 146 (R):       CA        60.242        60.242        59.675         0.567
RESID 146 (R):       CB        30.115        30.115        29.744         0.371
RESID 146 (R):        H         7.787         7.787         7.764         0.023
RESID 147 (Q):        N       118.457       118.457       117.436         1.021
RESID 147 (Q):       HA         4.101         4.101         4.316        -0.215
RESID 147 (Q):        C       178.807       178.807       178.471         0.336
RESID 147 (Q):       CA        59.183        59.183        58.451         0.732
RESID 147 (Q):       CB        28.878        28.878        27.985         0.893
RESID 147 (Q):        H         8.960         8.960         8.021         0.939
RESID 148 (S):        N       115.758       115.758       116.858        -1.100
RESID 148 (S):       HA         4.979         4.979         4.200         0.779
RESID 148 (S):        C       178.074       178.074       176.144         1.930
RESID 148 (S):       CA        61.511        61.511        61.806        -0.295
RESID 148 (S):       CB        63.392        63.392        62.836         0.556
RESID 148 (S):        H         8.604         8.604         7.986         0.618
RESID 149 (K):        N       125.190       125.190       120.231         4.959
RESID 149 (K):       HA         4.022         4.022         4.014         0.008
RESID 149 (K):        C       178.788       178.788       178.741         0.047
RESID 149 (K):       CA        58.707        58.707        59.033        -0.326
RESID 149 (K):       CB        31.465        31.465        31.885        -0.420
RESID 149 (K):        H         8.405         8.405         7.579         0.826
RESID 150 (E):        N       118.050       118.050       120.323        -2.273
RESID 150 (E):       HA         4.023         4.023         3.973         0.050
RESID 150 (E):        C       179.065       179.065       178.011         1.054
RESID 150 (E):       CA        58.880        58.880        59.148        -0.268
RESID 150 (E):       CB        29.660        29.660        29.517         0.142
RESID 150 (E):        H         7.509         7.509         8.085        -0.576
RESID 151 (K):        N       118.439       118.439       116.249         2.190
RESID 151 (K):       HA         3.782         3.782         4.205        -0.423
RESID 151 (K):        C       178.865       178.865       178.687         0.178
RESID 151 (K):       CA        59.365        59.365        58.140         1.225
RESID 151 (K):       CB        32.923        32.923        33.126        -0.203
RESID 151 (K):        H         8.296         8.296         8.082         0.214
RESID 152 (T):        N       106.470       106.470       115.329        -8.859
RESID 152 (T):       HA         4.407         4.407         3.259         1.148
RESID 152 (T):       CA        63.772        63.772        63.997        -0.225
RESID 152 (T):       CB        70.040        70.040        68.297         1.743
RESID 152 (T):        H         8.304         8.304         8.164         0.140
RESID 153 (A):        N       123.491       123.491       124.375        -0.884
RESID 153 (A):       HA         4.252         4.252         4.061         0.191
RESID 153 (A):        C       178.775       178.775       179.158        -0.383
RESID 153 (A):       CA        54.906        54.906        54.962        -0.056
RESID 153 (A):       CB        18.604        18.604        18.273         0.332
RESID 153 (A):        H         7.318         7.318         7.572        -0.254
RESID 154 (S):        N       108.783       108.783       110.492        -1.709
RESID 154 (S):       HA         4.569         4.569         4.618        -0.049
RESID 154 (S):        C       174.926       174.926       173.742         1.184
RESID 154 (S):       CA        57.983        57.983        57.448         0.535
RESID 154 (S):        H         7.295         7.295         7.577        -0.282
RESID 155 (Y):        N       121.552       121.552       121.844        -0.292
RESID 155 (Y):       HA         5.148         5.148         4.440         0.708
RESID 155 (Y):        C       177.850       177.850       175.858         1.992
RESID 155 (Y):       CA        54.351        54.351        58.394        -4.043
RESID 155 (Y):       CB        36.657        36.657        37.956        -1.299
RESID 155 (Y):        H         7.129         7.129         7.689        -0.560
RESID 156 (T):        N       116.123       116.123       116.706        -0.583
RESID 156 (T):       HA         4.817         4.817         4.755         0.062
RESID 156 (T):        C       175.913       175.913       175.630         0.283
RESID 156 (T):       CA        60.021        60.021        59.004         1.017
RESID 156 (T):       CB        72.051        72.051        70.611         1.440
RESID 156 (T):        H         9.749         9.749         8.725         1.024
RESID 157 (K):        N       121.193       121.193       120.771         0.422
RESID 157 (K):       HA         3.874         3.874         4.163        -0.289
RESID 157 (K):        C       177.224       177.224       178.562        -1.338
RESID 157 (K):       CA        61.575        61.575        59.563         2.012
RESID 157 (K):       CB        31.986        31.986        32.319        -0.333
RESID 157 (K):        H         9.322         9.322         8.905         0.417
RESID 158 (E):        N       115.842       115.842       118.230        -2.388
RESID 158 (E):       HA         4.015         4.015         4.028        -0.013
RESID 158 (E):        C       179.589       179.589       178.456         1.133
RESID 158 (E):       CA        59.880        59.880        59.441         0.439
RESID 158 (E):       CB        28.939        28.939        28.751         0.188
RESID 158 (E):        H         8.414         8.414         7.651         0.763
RESID 159 (D):        N       119.833       119.833       120.760        -0.927
RESID 159 (D):       HA         4.145         4.145         4.125         0.020
RESID 159 (D):        C       177.210       177.210       178.383        -1.173
RESID 159 (D):       CA        57.273        57.273        57.131         0.142
RESID 159 (D):       CB        40.562        40.562        39.649         0.913
RESID 159 (D):        H         7.341         7.341         8.221        -0.880
RESID 160 (W):        N       117.696       117.696       120.725        -3.029
RESID 160 (W):       HA         4.227         4.227         4.284        -0.057
RESID 160 (W):        C       178.283       178.283       178.766        -0.483
RESID 160 (W):       CA        60.400        60.400        59.597         0.803
RESID 160 (W):       CB        29.643        29.643        29.334         0.309
RESID 160 (W):        H         7.892         7.892         7.577         0.315
RESID 161 (Q):        N       118.386       118.386       118.983        -0.597
RESID 161 (Q):       HA         3.841         3.841         3.919        -0.078
RESID 161 (Q):        C       177.368       177.368       178.337        -0.969
RESID 161 (Q):       CA        58.701        58.701        58.928        -0.227
RESID 161 (Q):       CB        28.879        28.879        28.260         0.619
RESID 161 (Q):        H         8.665         8.665         8.117         0.548
RESID 162 (R):        N       120.270       120.270       120.399        -0.129
RESID 162 (R):       HA         4.039         4.039         4.102        -0.063
RESID 162 (R):        C       178.441       178.441       179.108        -0.667
RESID 162 (R):       CA        59.688        59.688        58.334         1.353
RESID 162 (R):       CB        28.707        28.707        29.536        -0.829
RESID 162 (R):        H         7.530         7.530         7.837        -0.307
RESID 163 (I):        N       119.856       119.856       120.475        -0.619
RESID 163 (I):       HA         3.272         3.272         3.641        -0.369
RESID 163 (I):        C       179.233       179.233       178.048         1.185
RESID 163 (I):       CA        65.686        65.686        65.203         0.483
RESID 163 (I):       CB        38.278        38.278        37.804         0.474
RESID 163 (I):        H         7.971         7.971         7.987        -0.016
RESID 164 (Q):        N       121.268       121.268       119.399         1.869
RESID 164 (Q):       HA         4.266         4.266         3.891         0.375
RESID 164 (Q):        C       178.794       178.794       178.155         0.639
RESID 164 (Q):       CA        58.115        58.115        59.729        -1.614
RESID 164 (Q):       CB        29.475        29.475        28.426         1.049
RESID 164 (Q):        H         8.601         8.601         8.805        -0.204
RESID 165 (D):        N       122.162       122.162       119.189         2.973
RESID 165 (D):       HA         4.428         4.428         4.279         0.149
RESID 165 (D):        C       179.896       179.896       178.216         1.680
RESID 165 (D):       CA        57.546        57.546        57.347         0.199
RESID 165 (D):       CB        39.524        39.524        40.530        -1.006
RESID 165 (D):        H         8.711         8.711         8.548         0.163
RESID 166 (E):        N       121.227       121.227       119.992         1.235
RESID 166 (E):       HA         3.956         3.956         4.077        -0.121
RESID 166 (E):        C       180.125       180.125       178.521         1.604
RESID 166 (E):       CA        59.288        59.288        59.161         0.127
RESID 166 (E):       CB        29.458        29.458        29.562        -0.104
RESID 166 (E):        H         8.566         8.566         7.648         0.918
RESID 167 (A):        N       123.246       123.246       122.823         0.423
RESID 167 (A):       HA         4.255         4.255         3.816         0.439
RESID 167 (A):        C       180.675       180.675       179.183         1.492
RESID 167 (A):       CA        55.207        55.207        55.436        -0.229
RESID 167 (A):       CB        18.141        18.141        18.167        -0.026
RESID 167 (A):        H         7.929         7.929         8.407        -0.478
RESID 168 (D):        N       120.476       120.476       118.958         1.518
RESID 168 (D):       HA         4.441         4.441         4.190         0.251
RESID 168 (D):        C       178.499       178.499       177.972         0.527
RESID 168 (D):       CA        57.433        57.433        57.694        -0.261
RESID 168 (D):       CB        40.758        40.758        40.770        -0.012
RESID 168 (D):        H         8.670         8.670         8.525         0.145
RESID 169 (E):        N       120.325       120.325       120.011         0.314
RESID 169 (E):       HA         4.041         4.041         3.949         0.092
RESID 169 (E):        C       178.994       178.994       178.864         0.130
RESID 169 (E):       CA        59.375        59.375        59.281         0.094
RESID 169 (E):       CB        28.864        28.864        29.534        -0.670
RESID 169 (E):        H         8.079         8.079         7.895         0.184
RESID 170 (L):        N       120.582       120.582       119.281         1.301
RESID 170 (L):       HA         4.131         4.131         3.891         0.240
RESID 170 (L):        C       179.013       179.013       178.558         0.455
RESID 170 (L):       CA        58.045        58.045        57.614         0.431
RESID 170 (L):       CB        41.675        41.675        41.604         0.071
RESID 170 (L):        H         7.615         7.615         8.285        -0.670
RESID 171 (T):        N       118.834       118.834       116.211         2.623
RESID 171 (T):       HA         4.036         4.036         3.747         0.289
RESID 171 (T):        C       175.899       175.899       176.574        -0.675
RESID 171 (T):       CA        68.163        68.163        67.130         1.033
RESID 171 (T):       CB        68.338        68.338        68.569        -0.231
RESID 171 (T):        H         8.815         8.815         8.091         0.724
RESID 172 (R):        N       118.894       118.894       121.019        -2.125
RESID 172 (R):       HA         3.885         3.885         3.877         0.008
RESID 172 (R):        C       179.660       179.660       178.900         0.760
RESID 172 (R):       CA        60.269        60.269        60.331        -0.062
RESID 172 (R):       CB        29.990        29.990        30.040        -0.050
RESID 172 (R):        H         8.249         8.249         8.582        -0.333
RESID 173 (R):        N       120.681       120.681       118.802         1.879
RESID 173 (R):       HA         4.030         4.030         4.205        -0.175
RESID 173 (R):        C       179.645       179.645       178.937         0.708
RESID 173 (R):       CA        59.615        59.615        59.100         0.515
RESID 173 (R):       CB        30.566        30.566        29.741         0.825
RESID 173 (R):        H         7.961         7.961         7.932         0.029
RESID 174 (F):        N       118.546       118.546       119.861        -1.315
RESID 174 (F):       HA         4.292         4.292         4.362        -0.071
RESID 174 (F):        C       178.154       178.154       177.953         0.201
RESID 174 (F):       CA        63.590        63.590        58.987         4.603
RESID 174 (F):       CB        40.383        40.383        38.002         2.381
RESID 174 (F):        H         8.548         8.548         8.072         0.476
RESID 175 (V):        N       118.935       118.935       120.382        -1.447
RESID 175 (V):       HA         3.373         3.373         3.579        -0.206
RESID 175 (V):        C       177.099       177.099       177.966        -0.867
RESID 175 (V):       CA        67.334        67.334        66.628         0.706
RESID 175 (V):       CB        31.745        31.745        31.030         0.715
RESID 175 (V):        H         8.770         8.770         8.584         0.186
RESID 176 (A):        N       120.243       120.243       121.956        -1.713
RESID 176 (A):       HA         4.162         4.162         4.121         0.041
RESID 176 (A):        C       181.643       181.643       179.043         2.600
RESID 176 (A):       CA        55.105        55.105        54.967         0.138
RESID 176 (A):       CB        17.765        17.765        18.737        -0.972
RESID 176 (A):        H         7.967         7.967         8.086        -0.119
RESID 177 (L):        N       121.411       121.411       115.754         5.657
RESID 177 (L):       HA         3.938         3.938         4.350        -0.412
RESID 177 (L):        C       178.694       178.694       178.129         0.565
RESID 177 (L):       CA        58.611        58.611        57.037         1.574
RESID 177 (L):       CB        41.513        41.513        42.281        -0.768
RESID 177 (L):        H         7.634         7.634         7.879        -0.245
RESID 178 (M):        N       118.652       118.652       119.899        -1.247
RESID 178 (M):       HA         3.564         3.564         3.940        -0.376
RESID 178 (M):        C       181.569       181.569       178.710         2.859
RESID 178 (M):       CA        59.718        59.718        59.262         0.456
RESID 178 (M):       CB        33.450        33.450        32.313         1.137
RESID 178 (M):        H         7.940         7.940         8.099        -0.159
RESID 179 (D):        N       121.310       121.310       120.420         0.890
RESID 179 (D):       HA         4.371         4.371         4.405        -0.034
RESID 179 (D):        C       177.730       177.730       176.889         0.841
RESID 179 (D):       CA        56.932        56.932        56.358         0.574
RESID 179 (D):       CB        39.826        39.826        40.549        -0.723
RESID 179 (D):        H         9.022         9.022         8.338         0.684
RESID 180 (A):        N       120.199       120.199       119.716         0.483
RESID 180 (A):       HA         4.357         4.357         4.354         0.003
RESID 180 (A):        C       177.935       177.935       178.040        -0.105
RESID 180 (A):       CA        52.276        52.276        51.734         0.542
RESID 180 (A):       CB        19.028        19.028        18.354         0.674
RESID 180 (A):        H         7.667         7.667         7.887        -0.220
RESID 181 (G):        N       107.115       107.115       107.467        -0.352
RESID 181 (G):        C       175.650       175.650       174.699         0.951
RESID 181 (G):       CA        45.480        45.480        45.722        -0.242
RESID 181 (G):        H         7.916         7.916         7.763         0.153
RESID 182 (E):        N       120.055       120.055       121.445        -1.390
RESID 182 (E):       HA         4.701         4.701         4.634         0.067
RESID 182 (E):       CA        54.158        54.158        53.763         0.395
RESID 182 (E):       CB        28.461        28.461        31.069        -2.608
RESID 182 (E):        H         7.887         7.887         7.711         0.176
RESID 183 (P):       HA         4.729         4.729         4.547         0.182
RESID 183 (P):        C       177.156       177.156       176.773         0.383
RESID 183 (P):       CA        62.595        62.595        62.421         0.174
RESID 183 (P):       CB        33.002        33.002        32.303         0.699
RESID 184 (A):        N       124.966       124.966       121.856         3.110
RESID 184 (A):       HA         3.372         3.372         3.774        -0.402
RESID 184 (A):        C       173.383       173.383       177.213        -3.830
RESID 184 (A):       CA        54.234        54.234        54.177         0.057
RESID 184 (A):       CB        19.100        19.100        18.236         0.864
RESID 184 (A):        H         9.082         9.082         8.769         0.313
RESID 185 (D):        N       107.028       107.028       111.548        -4.520
RESID 185 (D):       HA         4.474         4.474         4.543        -0.069
RESID 185 (D):        C       176.790       176.790       175.945         0.845
RESID 185 (D):       CA        50.914        50.914        52.674        -1.760
RESID 185 (D):       CB        39.354        39.354        40.346        -0.992
RESID 185 (D):        H         7.364         7.364         8.477        -1.113
RESID 186 (S):        N       113.421       113.421       115.204        -1.783
RESID 186 (S):       HA         4.328         4.328         4.450        -0.122
RESID 186 (S):        C       174.699       174.699       175.774        -1.075
RESID 186 (S):       CA        57.769        57.769        57.106         0.663
RESID 186 (S):       CB        65.781        65.781        65.161         0.620
RESID 186 (S):        H         7.676         7.676         7.482         0.194
RESID 187 (E):        N       121.832       121.832       122.542        -0.710
RESID 187 (E):       HA         3.698         3.698         3.958        -0.260
RESID 187 (E):        C       178.242       178.242       178.954        -0.712
RESID 187 (E):       CA        60.525        60.525        59.691         0.834
RESID 187 (E):       CB        29.271        29.271        28.710         0.561
RESID 187 (E):        H         9.064         9.064         8.869         0.195
RESID 188 (G):        N       103.385       103.385       106.842        -3.457
RESID 188 (G):        C       176.865       176.865       175.879         0.986
RESID 188 (G):       CA        47.142        47.142        46.617         0.525
RESID 188 (G):        H         8.688         8.688         8.567         0.121
RESID 189 (A):        N       125.710       125.710       125.102         0.608
RESID 189 (A):       HA         4.040         4.040         4.191        -0.151
RESID 189 (A):        C       179.646       179.646       179.246         0.400
RESID 189 (A):       CA        55.511        55.511        54.500         1.011
RESID 189 (A):       CB        18.211        18.211        18.701        -0.490
RESID 189 (A):        H         7.716         7.716         7.211         0.505
RESID 190 (M):        N       117.503       117.503       118.125        -0.622
RESID 190 (M):       HA         4.060         4.060         4.038         0.022
RESID 190 (M):        C       178.705       178.705       177.732         0.973
RESID 190 (M):       CA        60.473        60.473        58.713         1.760
RESID 190 (M):       CB        33.599        33.599        32.740         0.859
RESID 190 (M):        H         8.569         8.569         8.593        -0.024
RESID 191 (D):        N       119.826       119.826       118.675         1.151
RESID 191 (D):       HA         4.276         4.276         4.682        -0.406
RESID 191 (D):        C       178.528       178.528       178.022         0.506
RESID 191 (D):       CA        57.152        57.152        56.670         0.482
RESID 191 (D):       CB        39.009        39.009        40.194        -1.185
RESID 191 (D):        H         8.820         8.820         8.269         0.551
RESID 192 (A):        N       123.880       123.880       123.566         0.314
RESID 192 (A):       HA         3.905         3.905         4.431        -0.526
RESID 192 (A):        C       179.032       179.032       179.835        -0.803
RESID 192 (A):       CA        55.448        55.448        55.044         0.404
RESID 192 (A):       CB        15.703        15.703        18.052        -2.349
RESID 192 (A):        H         7.544         7.544         7.346         0.198
RESID 193 (A):        N       120.855       120.855       120.622         0.233
RESID 193 (A):       HA         4.358         4.358         3.966         0.392
RESID 193 (A):        C       179.427       179.427       179.601        -0.174
RESID 193 (A):       CA        55.521        55.521        55.034         0.487
RESID 193 (A):       CB        18.361        18.361        18.020         0.341
RESID 193 (A):        H         8.435         8.435         7.680         0.755
RESID 194 (E):        N       122.123       122.123       118.914         3.209
RESID 194 (E):       HA         4.375         4.375         4.024         0.351
RESID 194 (E):        C       178.565       178.565       179.016        -0.451
RESID 194 (E):       CA        58.780        58.780        59.933        -1.153
RESID 194 (E):       CB        27.301        27.301        29.561        -2.260
RESID 194 (E):        H         8.778         8.778         7.757         1.021
RESID 195 (D):        N       121.253       121.253       118.314         2.939
RESID 195 (D):       HA         4.408         4.408         4.357         0.051
RESID 195 (D):        C       179.882       179.882       178.437         1.445
RESID 195 (D):       CA        57.421        57.421        57.291         0.130
RESID 195 (D):       CB        39.518        39.518        40.284        -0.766
RESID 195 (D):        H         8.213         8.213         8.063         0.150
RESID 196 (H):        N       124.862       124.862       121.717         3.145
RESID 196 (H):       HA         4.172         4.172         4.333        -0.161
RESID 196 (H):        C       177.779       177.779       177.502         0.277
RESID 196 (H):       CA        61.442        61.442        59.769         1.673
RESID 196 (H):       CB        31.474        31.474        30.497         0.977
RESID 196 (H):        H         8.857         8.857         8.017         0.840
RESID 197 (R):        N       123.019       123.019       118.973         4.046
RESID 197 (R):       HA         3.001         3.001         4.310        -1.309
RESID 197 (R):        C       178.632       178.632       178.699        -0.067
RESID 197 (R):       CA        60.121        60.121        59.266         0.855
RESID 197 (R):       CB        30.529        30.529        29.714         0.815
RESID 197 (R):        H         8.371         8.371         8.340         0.031
RESID 198 (Q):        N       114.857       114.857       120.537        -5.680
RESID 198 (Q):       HA         3.780         3.780         4.042        -0.262
RESID 198 (Q):        C       179.002       179.002       178.644         0.358
RESID 198 (Q):       CA        58.513        58.513        58.669        -0.156
RESID 198 (Q):       CB        27.753        27.753        28.092        -0.339
RESID 198 (Q):        H         8.283         8.283         7.993         0.290
RESID 199 (G):        N       109.227       109.227       107.476         1.751
RESID 199 (G):        C       175.335       175.335       175.696        -0.361
RESID 199 (G):       CA        46.966        46.966        46.213         0.753
RESID 199 (G):        H         8.177         8.177         7.738         0.439
RESID 200 (I):        N       123.036       123.036       122.632         0.404
RESID 200 (I):       HA         3.493         3.493         3.740        -0.247
RESID 200 (I):        C       178.329       178.329       176.889         1.440
RESID 200 (I):       CA        64.940        64.940        63.654         1.286
RESID 200 (I):       CB        36.330        36.330        37.973        -1.643
RESID 200 (I):        H         7.474         7.474         7.381         0.093
RESID 201 (A):        N       121.122       121.122       121.655        -0.533
RESID 201 (A):       HA         4.501         4.501         4.132         0.369
RESID 201 (A):        C       179.480       179.480       178.003         1.477
RESID 201 (A):       CA        53.082        53.082        54.604        -1.522
RESID 201 (A):       CB        18.054        18.054        18.694        -0.640
RESID 201 (A):        H         7.739         7.739         7.712         0.027
RESID 202 (R):        N       115.981       115.981       115.785         0.196
RESID 202 (R):       HA         3.853         3.853         4.103        -0.250
RESID 202 (R):        C       177.874       177.874       178.116        -0.242
RESID 202 (R):       CA        58.391        58.391        58.444        -0.053
RESID 202 (R):       CB        31.163        31.163        30.174         0.989
RESID 202 (R):        H         7.968         7.968         7.523         0.445
RESID 203 (N):        N       111.860       111.860       115.029        -3.169
RESID 203 (N):       HA         4.362         4.362         4.530        -0.168
RESID 203 (N):        C       175.317       175.317       175.204         0.113
RESID 203 (N):       CA        53.644        53.644        54.969        -1.325
RESID 203 (N):       CB        40.307        40.307        39.238         1.069
RESID 203 (N):        H         7.591         7.591         7.900        -0.309
RESID 204 (H):        N       118.469       118.469       114.669         3.800
RESID 204 (H):       HA         4.670         4.670         4.715        -0.045
RESID 204 (H):        C       172.483       172.483       173.755        -1.272
RESID 204 (H):       CA        59.079        59.079        57.358         1.721
RESID 204 (H):       CB        33.877        33.877        33.184         0.693
RESID 204 (H):        H         8.389         8.389         7.786         0.603
RESID 205 (Y):        N       111.831       111.831       112.647        -0.816
RESID 205 (Y):       HA         4.363         4.363         4.720        -0.357
RESID 205 (Y):        C       173.387       173.387       173.689        -0.302
RESID 205 (Y):       CA        56.400        56.400        56.056         0.344
RESID 205 (Y):       CB        39.523        39.523        40.326        -0.803
RESID 205 (Y):        H         7.240         7.240         7.181         0.059
RESID 206 (D):        N       117.047       117.047       122.044        -4.997
RESID 206 (D):       HA         4.033         4.033         4.466        -0.433
RESID 206 (D):        C       175.864       175.864       175.306         0.558
RESID 206 (D):       CA        56.391        56.391        55.731         0.660
RESID 206 (D):       CB        40.166        40.166        40.931        -0.765
RESID 206 (D):        H         8.304         8.304         8.735        -0.431
RESID 207 (C):        N       125.983       125.983       125.594         0.389
RESID 207 (C):       HA         4.694         4.694         4.708        -0.014
RESID 207 (C):        C       172.708       172.708       174.889        -2.181
RESID 207 (C):       CA        57.910        57.910        57.701         0.209
RESID 207 (C):       CB        26.861        26.861        28.495        -1.634
RESID 207 (C):        H         7.581         7.581         8.561        -0.980
RESID 208 (G):        N       113.288       113.288       112.412         0.876
RESID 208 (G):        C       173.509       173.509       173.865        -0.356
RESID 208 (G):       CA        44.579        44.579        45.382        -0.803
RESID 208 (G):        H         8.359         8.359         8.424        -0.065
RESID 209 (Y):        N       116.731       116.731       118.219        -1.488
RESID 209 (Y):       HA         3.965         3.965         4.533        -0.568
RESID 209 (Y):        C       177.981       177.981       176.686         1.295
RESID 209 (Y):       CA        64.964        64.964        56.633         8.331
RESID 209 (Y):       CB        38.046        38.046        37.877         0.169
RESID 209 (Y):        H         8.283         8.283         7.899         0.384
RESID 210 (E):        N       119.927       119.927       120.811        -0.884
RESID 210 (E):       HA         4.089         4.089         3.948         0.141
RESID 210 (E):        C       178.511       178.511       178.498         0.013
RESID 210 (E):       CA        60.166        60.166        59.342         0.824
RESID 210 (E):       CB        28.747        28.747        29.442        -0.695
RESID 210 (E):        H         8.870         8.870         8.102         0.768
RESID 211 (M):        N       120.242       120.242       116.997         3.245
RESID 211 (M):       HA         3.914         3.914         4.296        -0.382
RESID 211 (M):       CA        57.257        57.257        58.373        -1.116
RESID 211 (M):       CB        31.938        31.938        31.369         0.569
RESID 211 (M):        H         8.047         8.047         8.345        -0.297
RESID 212 (H):        N       120.018       120.018       118.942         1.076
RESID 212 (H):       HA         3.977         3.977         4.045        -0.068
RESID 212 (H):        C       178.034       178.034       177.595         0.439
RESID 212 (H):       CA        59.099        59.099        59.025         0.074
RESID 212 (H):       CB        33.381        33.381        29.730         3.651
RESID 212 (H):        H         8.647         8.647         8.479         0.168
RESID 213 (T):        N       107.780       107.780       112.873        -5.093
RESID 213 (T):       HA         3.775         3.775         4.059        -0.284
RESID 213 (T):        C       176.569       176.569       176.498         0.071
RESID 213 (T):       CA        65.841        65.841        65.891        -0.050
RESID 213 (T):       CB        68.584        68.584        68.319         0.265
RESID 213 (T):        H         8.140         8.140         7.882         0.258
RESID 214 (C):        N       120.727       120.727       119.692         1.035
RESID 214 (C):       HA         4.039         4.039         4.405        -0.366
RESID 214 (C):       CA        63.078        63.078        61.250         1.828
RESID 214 (C):        H         7.337         7.337         7.688        -0.351
RESID 215 (L):        N       121.760       121.760       123.242        -1.482
RESID 215 (L):       HA         3.406         3.406         3.939        -0.533
RESID 215 (L):        C       176.549       176.549       178.898        -2.349
RESID 215 (L):       CA        57.581        57.581        57.107         0.474
RESID 215 (L):       CB        40.459        40.459        41.322        -0.863
RESID 215 (L):        H         7.696         7.696         8.696        -1.000
RESID 216 (G):        N       101.717       101.717       106.070        -4.353
RESID 216 (G):        C       174.717       174.717       176.262        -1.545
RESID 216 (G):       CA        47.445        47.445        47.228         0.217
RESID 216 (G):        H         7.849         7.849         8.272        -0.423
RESID 217 (E):        N       115.126       115.126       121.876        -6.750
RESID 217 (E):       HA         4.021         4.021         3.991         0.030
RESID 217 (E):        C       179.892       179.892       179.285         0.607
RESID 217 (E):       CA        58.378        58.378        59.260        -0.882
RESID 217 (E):       CB        28.933        28.933        29.652        -0.719
RESID 217 (E):        H         7.572         7.572         7.573        -0.001
RESID 218 (M):        N       123.032       123.032       115.556         7.476
RESID 218 (M):       HA         3.993         3.993         4.510        -0.517
RESID 218 (M):        C       177.036       177.036       177.907        -0.871
RESID 218 (M):       CA        58.596        58.596        57.630         0.966
RESID 218 (M):       CB        32.582        32.582        32.197         0.385
RESID 218 (M):        H         7.495         7.495         7.673        -0.178
RESID 219 (Y):        N       115.483       115.483       121.619        -6.136
RESID 219 (Y):       HA         4.174         4.174         4.091         0.083
RESID 219 (Y):        C       176.350       176.350       177.125        -0.775
RESID 219 (Y):       CA        56.530        56.530        61.880        -5.350
RESID 219 (Y):       CB        35.854        35.854        38.991        -3.137
RESID 219 (Y):        H         7.521         7.521         7.721        -0.200
RESID 220 (V):        N       109.054       109.054       118.906        -9.852
RESID 220 (V):       HA         4.022         4.022         4.120        -0.098
RESID 220 (V):        C       176.266       176.266       177.273        -1.007
RESID 220 (V):       CA        62.095        62.095        63.380        -1.286
RESID 220 (V):       CB        32.980        32.980        32.288         0.693
RESID 220 (V):        H         6.817         6.817         7.488        -0.671
RESID 221 (S):        N       115.276       115.276       114.290         0.986
RESID 221 (S):       HA         4.368         4.368         4.225         0.143
RESID 221 (S):        C       174.071       174.071       174.972        -0.901
RESID 221 (S):       CA        59.950        59.950        61.087        -1.137
RESID 221 (S):       CB        63.608        63.608        63.355         0.253
RESID 221 (S):        H         8.278         8.278         7.916         0.362
RESID 222 (D):        N       122.686       122.686       122.111         0.575
RESID 222 (D):       HA         4.962         4.962         4.873         0.089
RESID 222 (D):        C       176.246       176.246       176.653        -0.407
RESID 222 (D):       CA        52.489        52.489        53.194        -0.705
RESID 222 (D):       CB        41.604        41.604        41.559         0.044
RESID 222 (D):        H         8.238         8.238         7.735         0.503
RESID 223 (E):        N       124.836       124.836       127.527        -2.691
RESID 223 (E):       HA         4.306         4.306         3.956         0.350
RESID 223 (E):        C       177.201       177.201       178.529        -1.328
RESID 223 (E):       CA        58.566        58.566        60.000        -1.434
RESID 223 (E):       CB        29.326        29.326        29.348        -0.021
RESID 223 (E):        H         8.932         8.932         8.523         0.409
RESID 224 (R):        N       117.537       117.537       120.160        -2.623
RESID 224 (R):       HA         4.102         4.102         4.175        -0.073
RESID 224 (R):        C       181.161       181.161       178.443         2.718
RESID 224 (R):       CA        58.642        58.642        58.303         0.339
RESID 224 (R):       CB        30.996        30.996        29.500         1.496
RESID 224 (R):        H         8.429         8.429         8.193         0.236
RESID 225 (F):        N       116.733       116.733       119.279        -2.546
RESID 225 (F):       HA         4.149         4.149         4.449        -0.300
RESID 225 (F):        C       177.880       177.880       177.709         0.171
RESID 225 (F):       CA        60.916        60.916        61.821        -0.905
RESID 225 (F):       CB        39.728        39.728        39.127         0.602
RESID 225 (F):        H         7.830         7.830         9.027        -1.197
RESID 226 (T):        N       116.162       116.162       116.534        -0.372
RESID 226 (T):       HA         3.637         3.637         4.119        -0.482
RESID 226 (T):        C       176.142       176.142       176.670        -0.528
RESID 226 (T):       CA        67.025        67.025        67.495        -0.470
RESID 226 (T):       CB        68.865        68.865        68.684         0.181
RESID 226 (T):        H         8.182         8.182         8.365        -0.183
RESID 227 (R):        N       115.469       115.469       120.984        -5.515
RESID 227 (R):       HA         3.984         3.984         4.085        -0.101
RESID 227 (R):        C       178.758       178.758       178.659         0.099
RESID 227 (R):       CA        59.109        59.109        59.632        -0.523
RESID 227 (R):       CB        30.331        30.331        30.189         0.142
RESID 227 (R):        H         8.388         8.388         8.560        -0.172
RESID 228 (N):        N       116.518       116.518       116.888        -0.370
RESID 228 (N):       HA         4.637         4.637         4.588         0.049
RESID 228 (N):        C       177.791       177.791       177.002         0.789
RESID 228 (N):       CA        55.214        55.214        55.612        -0.398
RESID 228 (N):       CB        38.118        38.118        38.644        -0.526
RESID 228 (N):        H         6.883         6.883         7.616        -0.733
RESID 229 (I):        N       122.529       122.529       120.105         2.424
RESID 229 (I):       HA         3.824         3.824         3.869        -0.045
RESID 229 (I):        C       178.564       178.564       177.667         0.897
RESID 229 (I):       CA        65.206        65.206        64.921         0.285
RESID 229 (I):       CB        39.514        39.514        38.427         1.087
RESID 229 (I):        H         8.636         8.636         7.791         0.845
RESID 230 (D):        N       118.458       118.458       120.012        -1.554
RESID 230 (D):       HA         4.686         4.686         4.537         0.149
RESID 230 (D):        C       177.491       177.491       178.197        -0.706
RESID 230 (D):       CA        55.594        55.594        56.303        -0.709
RESID 230 (D):       CB        38.864        38.864        39.789        -0.925
RESID 230 (D):        H         8.866         8.866         8.823         0.043
RESID 231 (A):        N       123.132       123.132       122.419         0.713
RESID 231 (A):       HA         4.053         4.053         4.121        -0.068
RESID 231 (A):        C       179.554       179.554       178.367         1.187
RESID 231 (A):       CA        54.925        54.925        54.579         0.346
RESID 231 (A):       CB        18.199        18.199        18.035         0.164
RESID 231 (A):        H         7.074         7.074         7.729        -0.655
RESID 232 (A):        N       116.232       116.232       119.007        -2.775
RESID 232 (A):       HA         4.203         4.203         4.298        -0.095
RESID 232 (A):        C       178.208       178.208       177.159         1.049
RESID 232 (A):       CA        53.686        53.686        52.654         1.032
RESID 232 (A):       CB        19.446        19.446        20.088        -0.642
RESID 232 (A):        H         7.505         7.505         7.689        -0.184
RESID 233 (K):        N       116.503       116.503       118.388        -1.885
RESID 233 (K):       HA         4.464         4.464         4.698        -0.234
RESID 233 (K):       CA        54.363        54.363        53.272         1.091
RESID 233 (K):       CB        34.836        34.836        33.253         1.583
RESID 233 (K):        H         6.678         6.678         7.840        -1.162
RESID 234 (P):       HA         4.277         4.277         4.232         0.045
RESID 234 (P):        C       177.398       177.398       177.453        -0.055
RESID 234 (P):       CA        64.067        64.067        64.615        -0.548
RESID 234 (P):       CB        31.749        31.749        31.180         0.569
RESID 235 (G):        N       112.543       112.543       111.873         0.670
RESID 235 (G):        C       174.848       174.848       175.877        -1.029
RESID 235 (G):       CA        45.098        45.098        45.153        -0.055
RESID 235 (G):        H         8.705         8.705         8.533         0.172
RESID 236 (L):        N       126.659       126.659       123.679         2.980
RESID 236 (L):       HA         4.270         4.270         4.276        -0.006
RESID 236 (L):        C       177.242       177.242       178.130        -0.888
RESID 236 (L):       CA        57.890        57.890        57.407         0.483
RESID 236 (L):       CB        41.658        41.658        41.652         0.006
RESID 236 (L):        H         7.919         7.919         8.462        -0.543
RESID 237 (A):        N       126.005       126.005       121.677         4.328
RESID 237 (A):       HA         3.745         3.745         3.938        -0.193
RESID 237 (A):        C       179.077       179.077       179.044         0.033
RESID 237 (A):       CA        56.464        56.464        55.308         1.156
RESID 237 (A):       CB        17.932        17.932        17.948        -0.016
RESID 237 (A):        H        10.901        10.901         8.954         1.947
RESID 238 (A):        N       118.189       118.189       121.100        -2.911
RESID 238 (A):       HA         3.764         3.764         3.956        -0.192
RESID 238 (A):        C       178.967       178.967       178.639         0.328
RESID 238 (A):       CA        54.549        54.549        54.491         0.058
RESID 238 (A):       CB        17.675        17.675        18.532        -0.857
RESID 238 (A):        H         8.168         8.168         7.711         0.457
RESID 239 (Y):        N       121.259       121.259       120.410         0.849
RESID 239 (Y):       HA         4.073         4.073         4.059         0.014
RESID 239 (Y):        C       177.802       177.802       177.465         0.337
RESID 239 (Y):       CA        62.144        62.144        61.318         0.826
RESID 239 (Y):       CB        39.874        39.874        38.368         1.506
RESID 239 (Y):        H         7.940         7.940         7.564         0.376
RESID 240 (M):        N       116.383       116.383       118.612        -2.229
RESID 240 (M):       HA         3.300         3.300         3.894        -0.594
RESID 240 (M):        C       177.926       177.926       178.134        -0.208
RESID 240 (M):       CA        60.325        60.325        59.563         0.762
RESID 240 (M):       CB        33.236        33.236        31.966         1.270
RESID 240 (M):        H         9.169         9.169         8.751         0.418
RESID 241 (R):        N       118.201       118.201       120.095        -1.894
RESID 241 (R):       HA         3.397         3.397         3.754        -0.357
RESID 241 (R):        C       178.188       178.188       178.331        -0.143
RESID 241 (R):       CA        60.728        60.728        59.272         1.456
RESID 241 (R):       CB        28.104        28.104        29.445        -1.341
RESID 241 (R):        H         8.479         8.479         7.466         1.013
RESID 242 (D):        N       119.314       119.314       118.554         0.760
RESID 242 (D):       HA         4.165         4.165         4.342        -0.177
RESID 242 (D):        C       178.707       178.707       177.962         0.745
RESID 242 (D):       CA        57.489        57.489        56.966         0.523
RESID 242 (D):       CB        39.827        39.827        40.617        -0.790
RESID 242 (D):        H         8.016         8.016         8.030        -0.014
RESID 243 (A):        N       127.195       127.195       122.715         4.480
RESID 243 (A):       HA         4.399         4.399         4.071         0.328
RESID 243 (A):        C       179.891       179.891       179.750         0.141
RESID 243 (A):       CA        54.946        54.946        54.436         0.510
RESID 243 (A):       CB        19.100        19.100        18.086         1.014
RESID 243 (A):        H         8.620         8.620         8.099         0.521
RESID 244 (I):        N       120.697       120.697       119.406         1.291
RESID 244 (I):       HA         3.540         3.540         3.340         0.200
RESID 244 (I):        C       179.591       179.591       177.306         2.285
RESID 244 (I):       CA        65.737        65.737        63.746         1.990
RESID 244 (I):       CB        37.579        37.579        37.810        -0.231
RESID 244 (I):        H         8.871         8.871         7.926         0.945
RESID 245 (L):        N       121.753       121.753       120.585         1.168
RESID 245 (L):       HA         3.987         3.987         3.733         0.254
RESID 245 (L):        C       179.065       179.065       179.030         0.035
RESID 245 (L):       CA        58.462        58.462        58.293         0.169
RESID 245 (L):       CB        41.173        41.173        41.446        -0.273
RESID 245 (L):        H         8.311         8.311         7.879         0.432
RESID 246 (A):        N       121.174       121.174       119.728         1.446
RESID 246 (A):       HA         4.081         4.081         3.911         0.170
RESID 246 (A):        C       180.864       180.864       179.734         1.130
RESID 246 (A):       CA        55.306        55.306        54.930         0.376
RESID 246 (A):       CB        16.939        16.939        18.261        -1.322
RESID 246 (A):        H         8.100         8.100         8.218        -0.118
RESID 247 (N):        N       117.391       117.391       118.153        -0.762
RESID 247 (N):       HA         4.582         4.582         4.331         0.251
RESID 247 (N):        C       177.205       177.205       177.020         0.185
RESID 247 (N):       CA        56.362        56.362        55.683         0.679
RESID 247 (N):       CB        40.264        40.264        38.258         2.006
RESID 247 (N):        H         8.948         8.948         7.706         1.242
RESID 248 (A):        N       124.544       124.544       120.671         3.873
RESID 248 (A):       HA         3.917         3.917         3.931        -0.014
RESID 248 (A):        C       180.931       180.931       179.057         1.874
RESID 248 (A):       CA        55.851        55.851        54.410         1.441
RESID 248 (A):       CB        17.991        17.991        18.620        -0.629
RESID 248 (A):        H         8.432         8.432         8.006         0.426
RESID 249 (V):        N       120.469       120.469       117.625         2.844
RESID 249 (V):       HA         3.575         3.575         3.677        -0.102
RESID 249 (V):        C       179.608       179.608       178.604         1.004
RESID 249 (V):       CA        66.636        66.636        66.364         0.272
RESID 249 (V):       CB        31.449        31.449        31.740        -0.291
RESID 249 (V):        H         8.214         8.214         7.385         0.829
RESID 250 (R):        N       116.667       116.667       117.193        -0.526
RESID 250 (R):       HA         4.269         4.269         4.211         0.058
RESID 250 (R):        C       176.251       176.251       177.312        -1.061
RESID 250 (R):       CA        57.938        57.938        56.980         0.958
RESID 250 (R):       CB        28.897        28.897        29.992        -1.095
RESID 250 (R):        H         7.583         7.583         7.593        -0.010
RESID 251 (H):        N       115.928       115.928       114.717         1.211
RESID 251 (H):       HA         4.472         4.472         4.575        -0.103
RESID 251 (H):        C       173.245       173.245       173.953        -0.708
RESID 251 (H):       CA        56.667        56.667        55.595         1.072
RESID 251 (H):       CB        28.543        28.543        29.066        -0.523
RESID 251 (H):        H         7.163         7.163         7.733        -0.570
RESID 252 (T):        N       118.280       118.280       115.114         3.166
RESID 252 (T):       HA         4.517         4.517         4.457         0.060
RESID 252 (T):       CA        60.673        60.673        58.721         1.952
RESID 252 (T):       CB        70.034        70.034        69.976         0.058
RESID 252 (T):        H         7.449         7.449         7.100         0.349

                         N          HA           C          CA          CB           H
RESID 113 (N):      -2.648      -0.099       0.402       0.246      -0.723       0.097
RESID 114 (L):      -2.518       0.273       0.588      -0.815       1.054      -0.222
RESID 115 (T):      -3.018      -0.065       -----       2.155      -2.420       0.817
RESID 116 (P):       -----      -0.187       0.780       0.552      -0.153       -----
RESID 117 (E):      -0.665       0.085       0.664       1.351      -0.550       0.891
RESID 118 (E):       0.841      -0.207      -0.310       0.818       2.316       0.030
RESID 119 (K):      -3.192      -0.330      -1.034       0.574       0.120       0.400
RESID 120 (F):       0.918       0.358       -----      -0.493       0.428      -0.542
RESID 121 (E):       1.576      -0.378      -0.460       0.499       0.431      -0.264
RESID 122 (V):      -2.386      -0.003       0.738       0.570       1.207       0.098
RESID 123 (F):      -0.947       0.502       1.499      -1.873      -0.249       0.417
RESID 124 (G):       5.282       -----       0.622       0.725       -----       0.280
RESID 125 (D):       6.134       0.352       1.683       1.570      -0.721       0.584
RESID 126 (F):       1.664      -0.346       0.541       2.450      -0.663       0.024
RESID 127 (D):      -1.818       0.111       -----      -0.874      -2.231      -0.319
RESID 128 (P):       -----      -0.064       1.074      -0.890       0.241       -----
RESID 129 (D):      -2.521      -0.060      -0.671      -0.600      -0.241      -0.323
RESID 130 (Q):      -1.750      -0.207      -2.655      -1.433      -0.946      -1.882
RESID 131 (Y):      -3.190       0.313      -2.638      -0.647       2.327      -0.914
RESID 132 (E):      -2.373       0.030      -0.296      -0.135       0.594      -1.627
RESID 133 (E):       1.645      -0.006      -0.811       0.262      -0.722       0.907
RESID 134 (E):       2.041      -0.153      -0.929       0.049      -1.270       0.500
RESID 135 (V):       0.645      -0.629      -0.008       0.146       1.003      -0.200
RESID 136 (R):      -3.561      -1.010       1.073      -0.397      -0.094      -0.105
RESID 137 (E):       2.841      -0.401      -0.129       0.863      -0.118       0.835
RESID 138 (R):      -2.996      -0.183       1.270       0.122      -0.124       0.463
RESID 139 (W):      -1.346       0.166      -0.412      -1.867      -2.183      -0.142
RESID 140 (G):       2.510       -----      -0.699      -0.131       -----      -0.433
RESID 141 (N):       2.973       0.243       1.726      -0.829      -1.897      -0.022
RESID 142 (T):      -4.659       0.183       0.798      -0.000       2.495       0.102
RESID 143 (D):      -5.175       0.290       0.806      -0.819      -0.175       0.134
RESID 144 (A):       1.001       0.695       1.130       0.014       0.007       0.666
RESID 145 (Y):      -1.874       0.109      -0.113       3.178       2.080       0.781
RESID 146 (R):       1.272       0.317       0.644       0.567       0.371       0.023
RESID 147 (Q):       1.021      -0.215       0.336       0.732       0.893       0.939
RESID 148 (S):      -1.100       0.779       1.930      -0.295       0.556       0.618
RESID 149 (K):       4.959       0.008       0.047      -0.326      -0.420       0.826
RESID 150 (E):      -2.273       0.050       1.054      -0.268       0.142      -0.576
RESID 151 (K):       2.190      -0.423       0.178       1.225      -0.203       0.214
RESID 152 (T):      -8.859       1.148       -----      -0.225       1.743       0.140
RESID 153 (A):      -0.884       0.191      -0.383      -0.056       0.332      -0.254
RESID 154 (S):      -1.709      -0.049       1.184       0.535       -----      -0.282
RESID 155 (Y):      -0.292       0.708       1.992      -4.043      -1.299      -0.560
RESID 156 (T):      -0.583       0.062       0.283       1.017       1.440       1.024
RESID 157 (K):       0.422      -0.289      -1.338       2.012      -0.333       0.417
RESID 158 (E):      -2.388      -0.013       1.133       0.439       0.188       0.763
RESID 159 (D):      -0.927       0.020      -1.173       0.142       0.913      -0.880
RESID 160 (W):      -3.029      -0.057      -0.483       0.803       0.309       0.315
RESID 161 (Q):      -0.597      -0.078      -0.969      -0.227       0.619       0.548
RESID 162 (R):      -0.129      -0.063      -0.667       1.353      -0.829      -0.307
RESID 163 (I):      -0.619      -0.369       1.185       0.483       0.474      -0.016
RESID 164 (Q):       1.869       0.375       0.639      -1.614       1.049      -0.204
RESID 165 (D):       2.973       0.149       1.680       0.199      -1.006       0.163
RESID 166 (E):       1.235      -0.121       1.604       0.127      -0.104       0.918
RESID 167 (A):       0.423       0.439       1.492      -0.229      -0.026      -0.478
RESID 168 (D):       1.518       0.251       0.527      -0.261      -0.012       0.145
RESID 169 (E):       0.314       0.092       0.130       0.094      -0.670       0.184
RESID 170 (L):       1.301       0.240       0.455       0.431       0.071      -0.670
RESID 171 (T):       2.623       0.289      -0.675       1.033      -0.231       0.724
RESID 172 (R):      -2.125       0.008       0.760      -0.062      -0.050      -0.333
RESID 173 (R):       1.879      -0.175       0.708       0.515       0.825       0.029
RESID 174 (F):      -1.315      -0.071       0.201       4.603       2.381       0.476
RESID 175 (V):      -1.447      -0.206      -0.867       0.706       0.715       0.186
RESID 176 (A):      -1.713       0.041       2.600       0.138      -0.972      -0.119
RESID 177 (L):       5.657      -0.412       0.565       1.574      -0.768      -0.245
RESID 178 (M):      -1.247      -0.376       2.859       0.456       1.137      -0.159
RESID 179 (D):       0.890      -0.034       0.841       0.574      -0.723       0.684
RESID 180 (A):       0.483       0.003      -0.105       0.542       0.674      -0.220
RESID 181 (G):      -0.352       -----       0.951      -0.242       -----       0.153
RESID 182 (E):      -1.390       0.067       -----       0.395      -2.608       0.176
RESID 183 (P):       -----       0.182       0.383       0.174       0.699       -----
RESID 184 (A):       3.110      -0.402      -3.830       0.057       0.864       0.313
RESID 185 (D):      -4.520      -0.069       0.845      -1.760      -0.992      -1.113
RESID 186 (S):      -1.783      -0.122      -1.075       0.663       0.620       0.194
RESID 187 (E):      -0.710      -0.260      -0.712       0.834       0.561       0.195
RESID 188 (G):      -3.457       -----       0.986       0.525       -----       0.121
RESID 189 (A):       0.608      -0.151       0.400       1.011      -0.490       0.505
RESID 190 (M):      -0.622       0.022       0.973       1.760       0.859      -0.024
RESID 191 (D):       1.151      -0.406       0.506       0.482      -1.185       0.551
RESID 192 (A):       0.314      -0.526      -0.803       0.404      -2.349       0.198
RESID 193 (A):       0.233       0.392      -0.174       0.487       0.341       0.755
RESID 194 (E):       3.209       0.351      -0.451      -1.153      -2.260       1.021
RESID 195 (D):       2.939       0.051       1.445       0.130      -0.766       0.150
RESID 196 (H):       3.145      -0.161       0.277       1.673       0.977       0.840
RESID 197 (R):       4.046      -1.309      -0.067       0.855       0.815       0.031
RESID 198 (Q):      -5.680      -0.262       0.358      -0.156      -0.339       0.290
RESID 199 (G):       1.751       -----      -0.361       0.753       -----       0.439
RESID 200 (I):       0.404      -0.247       1.440       1.286      -1.643       0.093
RESID 201 (A):      -0.533       0.369       1.477      -1.522      -0.640       0.027
RESID 202 (R):       0.196      -0.250      -0.242      -0.053       0.989       0.445
RESID 203 (N):      -3.169      -0.168       0.113      -1.325       1.069      -0.309
RESID 204 (H):       3.800      -0.045      -1.272       1.721       0.693       0.603
RESID 205 (Y):      -0.816      -0.357      -0.302       0.344      -0.803       0.059
RESID 206 (D):      -4.997      -0.433       0.558       0.660      -0.765      -0.431
RESID 207 (C):       0.389      -0.014      -2.181       0.209      -1.634      -0.980
RESID 208 (G):       0.876       -----      -0.356      -0.803       -----      -0.065
RESID 209 (Y):      -1.488      -0.568       1.295       8.331       0.169       0.384
RESID 210 (E):      -0.884       0.141       0.013       0.824      -0.695       0.768
RESID 211 (M):       3.245      -0.382       -----      -1.116       0.569      -0.297
RESID 212 (H):       1.076      -0.068       0.439       0.074       3.651       0.168
RESID 213 (T):      -5.093      -0.284       0.071      -0.050       0.265       0.258
RESID 214 (C):       1.035      -0.366       -----       1.828       -----      -0.351
RESID 215 (L):      -1.482      -0.533      -2.349       0.474      -0.863      -1.000
RESID 216 (G):      -4.353       -----      -1.545       0.217       -----      -0.423
RESID 217 (E):      -6.750       0.030       0.607      -0.882      -0.719      -0.001
RESID 218 (M):       7.476      -0.517      -0.871       0.966       0.385      -0.178
RESID 219 (Y):      -6.136       0.083      -0.775      -5.350      -3.137      -0.200
RESID 220 (V):      -9.852      -0.098      -1.007      -1.286       0.693      -0.671
RESID 221 (S):       0.986       0.143      -0.901      -1.137       0.253       0.362
RESID 222 (D):       0.575       0.089      -0.407      -0.705       0.044       0.503
RESID 223 (E):      -2.691       0.350      -1.328      -1.434      -0.021       0.409
RESID 224 (R):      -2.623      -0.073       2.718       0.339       1.496       0.236
RESID 225 (F):      -2.546      -0.300       0.171      -0.905       0.602      -1.197
RESID 226 (T):      -0.372      -0.482      -0.528      -0.470       0.181      -0.183
RESID 227 (R):      -5.515      -0.101       0.099      -0.523       0.142      -0.172
RESID 228 (N):      -0.370       0.049       0.789      -0.398      -0.526      -0.733
RESID 229 (I):       2.424      -0.045       0.897       0.285       1.087       0.845
RESID 230 (D):      -1.554       0.149      -0.706      -0.709      -0.925       0.043
RESID 231 (A):       0.713      -0.068       1.187       0.346       0.164      -0.655
RESID 232 (A):      -2.775      -0.095       1.049       1.032      -0.642      -0.184
RESID 233 (K):      -1.885      -0.234       -----       1.091       1.583      -1.162
RESID 234 (P):       -----       0.045      -0.055      -0.548       0.569       -----
RESID 235 (G):       0.670       -----      -1.029      -0.055       -----       0.172
RESID 236 (L):       2.980      -0.006      -0.888       0.483       0.006      -0.543
RESID 237 (A):       4.328      -0.193       0.033       1.156      -0.016       1.947
RESID 238 (A):      -2.911      -0.192       0.328       0.058      -0.857       0.457
RESID 239 (Y):       0.849       0.014       0.337       0.826       1.506       0.376
RESID 240 (M):      -2.229      -0.594      -0.208       0.762       1.270       0.418
RESID 241 (R):      -1.894      -0.357      -0.143       1.456      -1.341       1.013
RESID 242 (D):       0.760      -0.177       0.745       0.523      -0.790      -0.014
RESID 243 (A):       4.480       0.328       0.141       0.510       1.014       0.521
RESID 244 (I):       1.291       0.200       2.285       1.990      -0.231       0.945
RESID 245 (L):       1.168       0.254       0.035       0.169      -0.273       0.432
RESID 246 (A):       1.446       0.170       1.130       0.376      -1.322      -0.118
RESID 247 (N):      -0.762       0.251       0.185       0.679       2.006       1.242
RESID 248 (A):       3.873      -0.014       1.874       1.441      -0.629       0.426
RESID 249 (V):       2.844      -0.102       1.004       0.272      -0.291       0.829
RESID 250 (R):      -0.526       0.058      -1.061       0.958      -1.095      -0.010
RESID 251 (H):       1.211      -0.103      -0.708       1.072      -0.523      -0.570
RESID 252 (T):       3.166       0.060       -----       1.952       0.058       0.349

DATA CS_STAT_INFO  N  RMS:   2.883 ppm Count: 137 Average Difference:  0.300 +/- 2.878 ppm
DATA CS_STAT_INFO  HA RMS:   0.338 ppm Count: 149 Average Difference:  0.039 +/- 0.336 ppm
DATA CS_STAT_INFO  C  RMS:   1.096 ppm Count: 132 Average Difference: -0.188 +/- 1.084 ppm
DATA CS_STAT_INFO  CA RMS:   1.352 ppm Count: 141 Average Difference: -0.283 +/- 1.327 ppm
DATA CS_STAT_INFO  CB RMS:   1.108 ppm Count: 131 Average Difference: -0.017 +/- 1.112 ppm
DATA CS_STAT_INFO  HN RMS:   0.586 ppm Count: 137 Average Difference: -0.105 +/- 0.578 ppm