REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1ais_1_B DATA FIRST_RESID 1108 DATA SEQUENCE NLAFALSELD RITAQLKLPR HVEEEAARLY REAVRKGLIR GRSIESVMAA DATA SEQUENCE CVYAACRLLK VPRTLDEIAD IARVDKKEIG RSYRFIARNL NLTPKKLFVK DATA SEQUENCE PTDYVNKFAD ELGLSEKVRR RAIEILDEAY KRGLTSGKSP AGLVAAALYI DATA SEQUENCE ASLLEGEKRT QREVAEVARV TEVTVRNRYK ELVEKLKIKV PIA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1108 N HA 0.000 nan 4.740 nan 0.000 0.220 1108 N C 0.000 175.582 175.510 0.119 0.000 1.280 1108 N CA 0.000 53.116 53.050 0.110 0.000 0.885 1108 N CB 0.000 38.551 38.487 0.107 0.000 1.341 1109 L N 1.827 123.102 121.223 0.087 0.000 2.291 1109 L HA 0.209 4.549 4.340 -0.000 0.000 0.214 1109 L C 2.318 179.176 176.870 -0.020 0.000 1.120 1109 L CA 1.601 56.459 54.840 0.029 0.000 0.799 1109 L CB -0.585 41.513 42.059 0.064 0.000 0.925 1109 L HN 0.292 nan 8.230 nan 0.000 0.446 1110 A N -1.398 121.443 122.820 0.035 0.000 1.898 1110 A HA -0.165 4.155 4.320 -0.000 0.000 0.214 1110 A C 2.192 179.804 177.584 0.048 0.000 1.183 1110 A CA 0.947 53.003 52.037 0.032 0.000 0.622 1110 A CB -0.742 18.292 19.000 0.057 0.000 0.824 1110 A HN 0.332 nan 8.150 nan 0.000 0.444 1111 F N 0.900 120.817 119.950 -0.055 0.000 2.259 1111 F HA 0.060 4.587 4.527 -0.000 0.000 0.298 1111 F C 2.470 178.214 175.800 -0.094 0.000 1.088 1111 F CA 0.582 58.550 58.000 -0.054 0.000 1.358 1111 F CB -0.326 38.656 39.000 -0.030 0.000 1.040 1111 F HN 0.252 nan 8.300 nan 0.000 0.505 1112 A N 0.426 123.189 122.820 -0.094 0.000 1.865 1112 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 1112 A C 2.200 179.575 177.584 -0.348 0.000 1.191 1112 A CA 1.633 53.479 52.037 -0.319 0.000 0.623 1112 A CB -1.281 17.325 19.000 -0.657 0.000 0.826 1112 A HN 0.377 nan 8.150 nan 0.000 0.444 1113 L N 0.368 121.425 121.223 -0.276 0.000 2.191 1113 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 1113 L C 2.322 179.078 176.870 -0.190 0.000 1.103 1113 L CA 2.279 56.996 54.840 -0.204 0.000 0.769 1113 L CB -1.133 40.846 42.059 -0.134 0.000 0.908 1113 L HN 0.393 nan 8.230 nan 0.000 0.438 1114 S N -0.290 115.270 115.700 -0.233 0.000 2.406 1114 S HA -0.132 4.338 4.470 -0.000 0.000 0.228 1114 S C 1.643 176.063 174.600 -0.299 0.000 1.020 1114 S CA 0.960 59.010 58.200 -0.251 0.000 0.965 1114 S CB 0.017 63.046 63.200 -0.284 0.000 0.798 1114 S HN 0.529 nan 8.310 nan 0.000 0.488 1115 E N 1.055 121.025 120.200 -0.384 0.000 2.158 1115 E HA 0.045 4.395 4.350 -0.000 0.000 0.191 1115 E C 1.986 178.477 176.600 -0.182 0.000 0.982 1115 E CA 0.349 56.562 56.400 -0.312 0.000 0.823 1115 E CB -0.172 29.334 29.700 -0.324 0.000 0.766 1115 E HN 0.346 nan 8.360 nan 0.000 0.468 1116 L N 1.350 122.472 121.223 -0.169 0.000 2.131 1116 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 1116 L C 1.447 178.261 176.870 -0.093 0.000 1.092 1116 L CA 1.252 56.025 54.840 -0.111 0.000 0.759 1116 L CB -0.053 41.939 42.059 -0.112 0.000 0.903 1116 L HN 0.110 nan 8.230 nan 0.000 0.435 1117 D N -0.365 119.971 120.400 -0.107 0.000 2.144 1117 D HA -0.159 4.481 4.640 -0.000 0.000 0.200 1117 D C 2.231 178.486 176.300 -0.075 0.000 0.978 1117 D CA 0.985 54.934 54.000 -0.083 0.000 0.833 1117 D CB -0.039 40.710 40.800 -0.084 0.000 0.961 1117 D HN 0.404 nan 8.370 nan 0.000 0.470 1118 R N 0.337 120.783 120.500 -0.090 0.000 2.066 1118 R HA -0.002 4.338 4.340 -0.000 0.000 0.232 1118 R C 2.621 178.889 176.300 -0.055 0.000 1.131 1118 R CA 0.648 56.704 56.100 -0.073 0.000 0.955 1118 R CB -0.262 29.985 30.300 -0.088 0.000 0.851 1118 R HN 0.200 nan 8.270 nan 0.000 0.432 1119 I N -0.002 120.533 120.570 -0.058 0.000 2.127 1119 I HA -0.317 3.853 4.170 -0.000 0.000 0.241 1119 I C 2.668 178.765 176.117 -0.034 0.000 1.075 1119 I CA 1.652 62.928 61.300 -0.039 0.000 1.334 1119 I CB -0.552 37.428 38.000 -0.034 0.000 1.040 1119 I HN 0.227 nan 8.210 nan 0.000 0.405 1120 T N 0.057 114.585 114.554 -0.043 0.000 2.833 1120 T HA -0.099 4.251 4.350 -0.000 0.000 0.269 1120 T C 1.827 176.505 174.700 -0.037 0.000 1.054 1120 T CA 1.443 63.517 62.100 -0.043 0.000 1.135 1120 T CB -0.084 68.753 68.868 -0.052 0.000 0.869 1120 T HN 0.435 nan 8.240 nan 0.000 0.466 1121 A N 0.594 123.392 122.820 -0.036 0.000 1.872 1121 A HA -0.016 4.304 4.320 -0.000 0.000 0.214 1121 A C 2.285 179.857 177.584 -0.021 0.000 1.187 1121 A CA 1.407 53.427 52.037 -0.029 0.000 0.614 1121 A CB -0.579 18.403 19.000 -0.031 0.000 0.826 1121 A HN 0.636 nan 8.150 nan 0.000 0.442 1122 Q N -0.463 119.324 119.800 -0.021 0.000 2.079 1122 Q HA 0.004 4.344 4.340 -0.000 0.000 0.200 1122 Q C 1.825 177.821 176.000 -0.007 0.000 0.974 1122 Q CA 1.298 57.093 55.803 -0.013 0.000 0.840 1122 Q CB -0.223 28.506 28.738 -0.015 0.000 0.898 1122 Q HN 0.639 nan 8.270 nan 0.000 0.430 1123 L N 0.061 121.279 121.223 -0.009 0.000 2.509 1123 L HA 0.040 4.380 4.340 -0.000 0.000 0.222 1123 L C 0.256 177.121 176.870 -0.007 0.000 1.123 1123 L CA 0.231 55.070 54.840 -0.002 0.000 0.856 1123 L CB 0.086 42.144 42.059 -0.002 0.000 0.985 1123 L HN 0.152 nan 8.230 nan 0.000 0.456 1124 K N 0.383 120.774 120.400 -0.016 0.000 3.192 1124 K HA -0.163 4.157 4.320 -0.000 0.000 0.278 1124 K C -0.251 176.328 176.600 -0.035 0.000 1.164 1124 K CA 0.225 56.500 56.287 -0.019 0.000 0.816 1124 K CB -2.071 30.425 32.500 -0.007 0.000 1.256 1124 K HN 0.266 nan 8.250 nan 0.000 0.497 1125 L N 2.371 123.564 121.223 -0.049 0.000 2.499 1125 L HA 0.111 4.451 4.340 -0.000 0.000 0.273 1125 L C -1.027 175.774 176.870 -0.115 0.000 1.195 1125 L CA -1.352 53.437 54.840 -0.085 0.000 0.882 1125 L CB -0.276 41.733 42.059 -0.083 0.000 1.133 1125 L HN -0.019 nan 8.230 nan 0.000 0.483 1126 P HA 0.061 nan 4.420 nan 0.000 0.272 1126 P C 0.142 177.289 177.300 -0.255 0.000 1.240 1126 P CA -0.577 62.401 63.100 -0.203 0.000 0.791 1126 P CB 0.850 32.400 31.700 -0.249 0.000 0.978 1127 R N 1.543 121.980 120.500 -0.104 0.000 2.103 1127 R HA -0.219 4.121 4.340 -0.000 0.000 0.242 1127 R C 2.438 178.712 176.300 -0.043 0.000 1.142 1127 R CA 2.265 58.339 56.100 -0.042 0.000 0.960 1127 R CB -1.565 28.755 30.300 0.034 0.000 0.858 1127 R HN 0.651 nan 8.270 nan 0.000 0.439 1128 H N -1.448 117.616 119.070 -0.011 0.000 2.421 1128 H HA -0.023 4.533 4.556 -0.000 0.000 0.298 1128 H C 1.835 177.158 175.328 -0.008 0.000 1.087 1128 H CA 1.537 57.579 56.048 -0.010 0.000 1.330 1128 H CB -0.704 29.050 29.762 -0.013 0.000 1.388 1128 H HN 0.147 nan 8.280 nan 0.000 0.526 1129 V N 1.536 121.230 119.914 -0.366 0.000 2.346 1129 V HA -0.195 3.925 4.120 -0.000 0.000 0.244 1129 V C 2.767 178.802 176.094 -0.098 0.000 1.037 1129 V CA 1.859 64.041 62.300 -0.197 0.000 1.029 1129 V CB -0.518 31.149 31.823 -0.259 0.000 0.663 1129 V HN 0.446 nan 8.190 nan 0.000 0.454 1130 E N 0.595 120.729 120.200 -0.111 0.000 2.085 1130 E HA -0.322 4.028 4.350 -0.000 0.000 0.194 1130 E C 2.137 178.722 176.600 -0.026 0.000 0.994 1130 E CA 1.767 58.131 56.400 -0.060 0.000 0.801 1130 E CB -0.115 29.547 29.700 -0.064 0.000 0.743 1130 E HN 0.577 nan 8.360 nan 0.000 0.453 1131 E N 0.859 121.049 120.200 -0.016 0.000 2.150 1131 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 1131 E C 1.786 178.402 176.600 0.027 0.000 0.985 1131 E CA 1.579 57.986 56.400 0.011 0.000 0.814 1131 E CB -0.139 29.576 29.700 0.025 0.000 0.752 1131 E HN 0.327 nan 8.360 nan 0.000 0.466 1132 E N -0.152 120.064 120.200 0.027 0.000 2.107 1132 E HA -0.003 4.347 4.350 -0.000 0.000 0.191 1132 E C 1.810 178.441 176.600 0.050 0.000 0.982 1132 E CA 1.302 57.726 56.400 0.040 0.000 0.809 1132 E CB -0.467 29.256 29.700 0.038 0.000 0.756 1132 E HN 0.279 nan 8.360 nan 0.000 0.459 1133 A N 0.962 123.808 122.820 0.043 0.000 1.877 1133 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 1133 A C 2.469 180.114 177.584 0.101 0.000 1.186 1133 A CA 2.095 54.174 52.037 0.070 0.000 0.620 1133 A CB -1.121 17.905 19.000 0.043 0.000 0.822 1133 A HN 0.397 nan 8.150 nan 0.000 0.443 1134 A N -0.779 122.078 122.820 0.062 0.000 1.902 1134 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 1134 A C 2.287 179.939 177.584 0.113 0.000 1.181 1134 A CA 1.663 53.739 52.037 0.065 0.000 0.623 1134 A CB -0.507 18.501 19.000 0.014 0.000 0.818 1134 A HN 0.377 nan 8.150 nan 0.000 0.443 1135 R N -0.078 120.472 120.500 0.084 0.000 2.096 1135 R HA -0.028 4.312 4.340 -0.000 0.000 0.235 1135 R C 1.980 178.336 176.300 0.093 0.000 1.127 1135 R CA 1.374 57.521 56.100 0.078 0.000 0.968 1135 R CB -0.747 29.586 30.300 0.054 0.000 0.861 1135 R HN 0.594 nan 8.270 nan 0.000 0.440 1136 L N -0.594 120.690 121.223 0.101 0.000 2.056 1136 L HA -0.207 4.133 4.340 -0.000 0.000 0.207 1136 L C 2.365 179.299 176.870 0.106 0.000 1.078 1136 L CA 1.314 56.209 54.840 0.092 0.000 0.749 1136 L CB -0.592 41.526 42.059 0.097 0.000 0.901 1136 L HN 0.166 nan 8.230 nan 0.000 0.433 1137 Y N 0.977 121.303 120.300 0.044 0.000 2.145 1137 Y HA -0.253 4.297 4.550 -0.000 0.000 0.286 1137 Y C 2.713 178.638 175.900 0.041 0.000 1.145 1137 Y CA 1.616 59.743 58.100 0.046 0.000 1.148 1137 Y CB -0.087 38.397 38.460 0.040 0.000 0.981 1137 Y HN 0.003 nan 8.280 nan 0.000 0.507 1138 R N -0.194 120.462 120.500 0.260 0.000 2.148 1138 R HA -0.136 4.204 4.340 -0.000 0.000 0.223 1138 R C 2.146 178.486 176.300 0.067 0.000 1.088 1138 R CA 1.280 57.480 56.100 0.168 0.000 0.985 1138 R CB -0.248 30.134 30.300 0.137 0.000 0.880 1138 R HN 0.463 nan 8.270 nan 0.000 0.451 1139 E N 0.625 120.854 120.200 0.049 0.000 2.208 1139 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 1139 E C 1.649 178.244 176.600 -0.009 0.000 0.988 1139 E CA 0.789 57.202 56.400 0.021 0.000 0.828 1139 E CB 0.147 29.862 29.700 0.025 0.000 0.763 1139 E HN 0.356 nan 8.360 nan 0.000 0.478 1140 A N 0.054 122.843 122.820 -0.052 0.000 1.984 1140 A HA 0.000 4.320 4.320 -0.000 0.000 0.214 1140 A C 2.247 179.767 177.584 -0.107 0.000 1.173 1140 A CA 0.396 52.374 52.037 -0.098 0.000 0.673 1140 A CB -0.186 18.695 19.000 -0.198 0.000 0.830 1140 A HN 0.169 nan 8.150 nan 0.000 0.453 1141 V N 0.681 120.531 119.914 -0.107 0.000 2.287 1141 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 1141 V C 2.542 178.632 176.094 -0.006 0.000 1.053 1141 V CA 2.354 64.628 62.300 -0.043 0.000 1.027 1141 V CB -0.834 31.018 31.823 0.050 0.000 0.646 1141 V HN 0.567 nan 8.190 nan 0.000 0.447 1142 R N 0.192 120.694 120.500 0.004 0.000 2.237 1142 R HA -0.036 4.304 4.340 -0.000 0.000 0.219 1142 R C 1.143 177.447 176.300 0.007 0.000 1.080 1142 R CA 0.714 56.820 56.100 0.011 0.000 0.995 1142 R CB -0.166 30.142 30.300 0.014 0.000 0.875 1142 R HN 0.439 nan 8.270 nan 0.000 0.462 1143 K N 0.146 120.546 120.400 0.001 0.000 3.109 1143 K HA 0.197 4.517 4.320 -0.000 0.000 0.214 1143 K C 0.423 177.037 176.600 0.023 0.000 1.196 1143 K CA 0.232 56.526 56.287 0.012 0.000 1.115 1143 K CB 1.265 33.773 32.500 0.012 0.000 1.103 1143 K HN 0.273 nan 8.250 nan 0.000 0.467 1144 G N 1.289 110.096 108.800 0.013 0.000 2.674 1144 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.236 1144 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.236 1144 G C 0.514 175.405 174.900 -0.015 0.000 1.178 1144 G CA 0.314 45.420 45.100 0.011 0.000 0.721 1144 G HN 0.471 nan 8.290 nan 0.000 0.515 1145 L N -0.230 120.977 121.223 -0.027 0.000 4.040 1145 L HA -0.157 4.183 4.340 -0.000 0.000 0.410 1145 L C 0.693 177.510 176.870 -0.089 0.000 1.187 1145 L CA 1.721 56.512 54.840 -0.082 0.000 0.956 1145 L CB -1.622 40.365 42.059 -0.119 0.000 2.022 1145 L HN 1.425 nan 8.230 nan 0.000 0.897 1146 I N -2.608 117.913 120.570 -0.081 0.000 9.182 1146 I HA -0.417 3.753 4.170 -0.000 0.000 0.126 1146 I C 1.651 177.711 176.117 -0.096 0.000 1.859 1146 I CA 1.029 62.232 61.300 -0.161 0.000 2.053 1146 I CB -0.111 37.661 38.000 -0.380 0.000 3.954 1146 I HN 0.431 nan 8.210 nan 0.000 0.174 1147 R N 3.028 123.476 120.500 -0.087 0.000 2.112 1147 R HA -0.120 4.220 4.340 -0.000 0.000 0.242 1147 R C 1.180 177.451 176.300 -0.048 0.000 1.137 1147 R CA 2.475 58.544 56.100 -0.052 0.000 0.944 1147 R CB -0.268 30.005 30.300 -0.046 0.000 0.857 1147 R HN 0.835 nan 8.270 nan 0.000 0.435 1148 G N -0.972 107.788 108.800 -0.067 0.000 5.252 1148 G HA2 0.155 4.115 3.960 -0.000 0.000 0.214 1148 G HA3 0.155 4.115 3.960 -0.000 0.000 0.214 1148 G C -0.929 173.938 174.900 -0.054 0.000 0.817 1148 G CA -0.635 44.437 45.100 -0.047 0.000 0.715 1148 G HN 0.044 nan 8.290 nan 0.000 0.480 1149 R N 1.455 121.907 120.500 -0.080 0.000 2.296 1149 R HA 0.309 4.649 4.340 -0.000 0.000 0.323 1149 R C 0.905 177.198 176.300 -0.013 0.000 1.067 1149 R CA -0.029 56.025 56.100 -0.075 0.000 0.946 1149 R CB 0.747 30.967 30.300 -0.132 0.000 0.991 1149 R HN 0.328 nan 8.270 nan 0.000 0.448 1150 S N 3.545 119.251 115.700 0.010 0.000 2.631 1150 S HA -0.117 4.353 4.470 -0.000 0.000 0.311 1150 S C 1.750 176.412 174.600 0.103 0.000 1.254 1150 S CA -0.387 57.843 58.200 0.051 0.000 1.039 1150 S CB 0.322 63.551 63.200 0.049 0.000 0.753 1150 S HN 0.479 nan 8.310 nan 0.000 0.494 1151 I N 3.277 123.933 120.570 0.144 0.000 2.830 1151 I HA -0.027 4.143 4.170 -0.000 0.000 0.263 1151 I C 2.401 178.649 176.117 0.218 0.000 1.230 1151 I CA 1.033 62.471 61.300 0.231 0.000 1.480 1151 I CB -1.235 36.917 38.000 0.252 0.000 1.095 1151 I HN 0.773 nan 8.210 nan 0.000 0.455 1152 E N 0.928 121.228 120.200 0.166 0.000 2.190 1152 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 1152 E C 2.065 178.728 176.600 0.105 0.000 0.978 1152 E CA 0.662 57.136 56.400 0.124 0.000 0.839 1152 E CB 0.438 30.206 29.700 0.114 0.000 0.787 1152 E HN 0.314 nan 8.360 nan 0.000 0.473 1153 S N 0.320 116.081 115.700 0.102 0.000 2.355 1153 S HA -0.091 4.379 4.470 -0.000 0.000 0.222 1153 S C 2.166 176.838 174.600 0.120 0.000 1.031 1153 S CA 1.134 59.387 58.200 0.088 0.000 0.993 1153 S CB -0.234 63.003 63.200 0.061 0.000 0.859 1153 S HN 0.103 nan 8.310 nan 0.000 0.453 1154 V N 1.701 121.703 119.914 0.147 0.000 2.407 1154 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 1154 V C 2.334 178.582 176.094 0.257 0.000 1.055 1154 V CA 1.849 64.249 62.300 0.165 0.000 1.049 1154 V CB -0.568 31.303 31.823 0.081 0.000 0.662 1154 V HN 0.396 nan 8.190 nan 0.000 0.455 1155 M N 0.747 120.533 119.600 0.309 0.000 2.200 1155 M HA 0.065 4.545 4.480 -0.000 0.000 0.265 1155 M C 1.988 178.376 176.300 0.147 0.000 1.066 1155 M CA 1.909 57.357 55.300 0.247 0.000 1.127 1155 M CB -0.731 31.926 32.600 0.095 0.000 1.379 1155 M HN 0.241 nan 8.290 nan 0.000 0.420 1156 A N -0.597 122.291 122.820 0.113 0.000 2.066 1156 A HA 0.217 4.537 4.320 -0.000 0.000 0.218 1156 A C 2.258 179.910 177.584 0.114 0.000 1.157 1156 A CA 1.501 53.584 52.037 0.078 0.000 0.670 1156 A CB -1.072 17.952 19.000 0.040 0.000 0.804 1156 A HN 0.573 nan 8.150 nan 0.000 0.453 1157 A N -0.801 122.118 122.820 0.166 0.000 1.854 1157 A HA -0.107 4.213 4.320 -0.000 0.000 0.214 1157 A C 2.275 180.035 177.584 0.293 0.000 1.192 1157 A CA 1.459 53.650 52.037 0.257 0.000 0.611 1157 A CB -1.302 17.865 19.000 0.278 0.000 0.832 1157 A HN 0.546 nan 8.150 nan 0.000 0.442 1158 C N -0.493 118.949 119.300 0.237 0.000 2.398 1158 C HA -0.140 4.320 4.460 -0.000 0.000 0.276 1158 C C 2.898 177.982 174.990 0.158 0.000 1.222 1158 C CA 1.508 60.648 59.018 0.204 0.000 1.746 1158 C CB -1.425 26.445 27.740 0.216 0.000 2.039 1158 C HN 0.670 nan 8.230 nan 0.000 0.470 1159 V N -1.144 118.850 119.914 0.133 0.000 2.594 1159 V HA -0.217 3.903 4.120 -0.000 0.000 0.253 1159 V C 2.106 178.264 176.094 0.106 0.000 1.069 1159 V CA 2.221 64.574 62.300 0.088 0.000 1.082 1159 V CB -1.294 30.564 31.823 0.057 0.000 0.680 1159 V HN 0.554 nan 8.190 nan 0.000 0.469 1160 Y N 2.139 122.427 120.300 -0.019 0.000 2.163 1160 Y HA 0.106 4.656 4.550 -0.000 0.000 0.288 1160 Y C 2.645 178.513 175.900 -0.054 0.000 1.136 1160 Y CA 1.603 59.640 58.100 -0.104 0.000 1.147 1160 Y CB -0.921 37.383 38.460 -0.260 0.000 0.987 1160 Y HN 0.292 nan 8.280 nan 0.000 0.509 1161 A N 0.150 122.993 122.820 0.038 0.000 2.015 1161 A HA -0.011 4.309 4.320 -0.000 0.000 0.219 1161 A C 2.387 179.979 177.584 0.013 0.000 1.163 1161 A CA 1.611 53.708 52.037 0.099 0.000 0.646 1161 A CB -1.285 17.890 19.000 0.292 0.000 0.806 1161 A HN 0.548 nan 8.150 nan 0.000 0.448 1162 A N -0.971 121.862 122.820 0.021 0.000 1.873 1162 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 1162 A C 2.264 179.826 177.584 -0.038 0.000 1.186 1162 A CA 1.554 53.594 52.037 0.006 0.000 0.616 1162 A CB -1.249 17.761 19.000 0.017 0.000 0.823 1162 A HN 0.566 nan 8.150 nan 0.000 0.442 1163 C N -0.772 118.486 119.300 -0.070 0.000 2.422 1163 C HA -0.064 4.396 4.460 -0.000 0.000 0.279 1163 C C 2.907 177.805 174.990 -0.154 0.000 1.305 1163 C CA 1.059 60.013 59.018 -0.106 0.000 1.757 1163 C CB -1.341 26.341 27.740 -0.097 0.000 1.962 1163 C HN 0.564 nan 8.230 nan 0.000 0.499 1164 R N 0.289 120.669 120.500 -0.199 0.000 2.062 1164 R HA 0.017 4.357 4.340 -0.000 0.000 0.229 1164 R C 2.138 178.379 176.300 -0.099 0.000 1.128 1164 R CA 1.033 57.012 56.100 -0.201 0.000 0.960 1164 R CB -0.430 29.719 30.300 -0.252 0.000 0.855 1164 R HN 0.485 nan 8.270 nan 0.000 0.432 1165 L N 0.681 121.872 121.223 -0.054 0.000 2.083 1165 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 1165 L C 1.991 178.853 176.870 -0.014 0.000 1.083 1165 L CA 1.187 56.017 54.840 -0.016 0.000 0.752 1165 L CB -0.203 41.859 42.059 0.005 0.000 0.899 1165 L HN 0.184 nan 8.230 nan 0.000 0.433 1166 L N -0.895 120.318 121.223 -0.017 0.000 2.592 1166 L HA 0.061 4.401 4.340 -0.000 0.000 0.227 1166 L C 0.481 177.338 176.870 -0.023 0.000 1.127 1166 L CA -0.105 54.740 54.840 0.008 0.000 0.884 1166 L CB 0.138 42.240 42.059 0.071 0.000 1.065 1166 L HN 0.103 nan 8.230 nan 0.000 0.457 1167 K N -0.992 119.363 120.400 -0.075 0.000 3.230 1167 K HA -0.127 4.193 4.320 -0.000 0.000 0.285 1167 K C -0.454 176.052 176.600 -0.158 0.000 1.196 1167 K CA 0.364 56.576 56.287 -0.125 0.000 0.838 1167 K CB -2.720 29.725 32.500 -0.092 0.000 1.262 1167 K HN 0.085 nan 8.250 nan 0.000 0.492 1168 V N 2.968 122.797 119.914 -0.142 0.000 2.270 1168 V HA 0.164 4.284 4.120 -0.000 0.000 0.263 1168 V C -1.589 174.374 176.094 -0.219 0.000 1.066 1168 V CA -1.497 60.716 62.300 -0.145 0.000 0.857 1168 V CB 0.934 32.707 31.823 -0.083 0.000 1.099 1168 V HN 0.041 nan 8.190 nan 0.000 0.476 1169 P HA 0.028 nan 4.420 nan 0.000 0.261 1169 P C -0.304 176.890 177.300 -0.177 0.000 1.173 1169 P CA 0.117 62.903 63.100 -0.524 0.000 0.760 1169 P CB 0.635 31.791 31.700 -0.907 0.000 0.783 1170 R N 1.752 122.245 120.500 -0.013 0.000 3.190 1170 R HA 0.155 4.495 4.340 -0.000 0.000 0.244 1170 R C -0.312 176.143 176.300 0.259 0.000 1.788 1170 R CA -0.219 55.958 56.100 0.127 0.000 1.160 1170 R CB 0.065 30.410 30.300 0.075 0.000 1.494 1170 R HN 0.524 nan 8.270 nan 0.000 0.499 1171 T N 0.386 115.130 114.554 0.317 0.000 2.867 1171 T HA -0.098 4.252 4.350 -0.000 0.000 0.290 1171 T C 1.363 176.130 174.700 0.111 0.000 1.025 1171 T CA -0.333 61.922 62.100 0.258 0.000 1.146 1171 T CB 0.571 69.556 68.868 0.195 0.000 1.024 1171 T HN 0.419 nan 8.240 nan 0.000 0.519 1172 L N 1.693 122.904 121.223 -0.020 0.000 2.357 1172 L HA -0.088 4.252 4.340 -0.000 0.000 0.220 1172 L C 1.724 178.491 176.870 -0.171 0.000 1.123 1172 L CA 1.765 56.402 54.840 -0.338 0.000 0.782 1172 L CB -0.934 40.797 42.059 -0.547 0.000 0.910 1172 L HN 0.726 nan 8.230 nan 0.000 0.442 1173 D N -0.536 119.824 120.400 -0.066 0.000 2.077 1173 D HA -0.207 4.433 4.640 -0.000 0.000 0.196 1173 D C 2.008 178.293 176.300 -0.025 0.000 0.986 1173 D CA 1.396 55.372 54.000 -0.041 0.000 0.829 1173 D CB -0.091 40.699 40.800 -0.015 0.000 0.983 1173 D HN 0.492 nan 8.370 nan 0.000 0.453 1174 E N 0.121 120.327 120.200 0.010 0.000 2.097 1174 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 1174 E C 2.112 178.715 176.600 0.005 0.000 1.000 1174 E CA 0.861 57.276 56.400 0.025 0.000 0.804 1174 E CB -0.059 29.683 29.700 0.070 0.000 0.740 1174 E HN 0.282 nan 8.360 nan 0.000 0.454 1175 I N 0.031 120.593 120.570 -0.014 0.000 2.716 1175 I HA -0.107 4.063 4.170 -0.000 0.000 0.259 1175 I C 2.407 178.497 176.117 -0.045 0.000 1.172 1175 I CA 0.500 61.784 61.300 -0.026 0.000 1.478 1175 I CB -0.158 37.823 38.000 -0.032 0.000 1.104 1175 I HN 0.124 nan 8.210 nan 0.000 0.439 1176 A N 1.893 124.673 122.820 -0.066 0.000 1.873 1176 A HA -0.257 4.063 4.320 -0.000 0.000 0.215 1176 A C 1.870 179.434 177.584 -0.033 0.000 1.186 1176 A CA 2.294 54.295 52.037 -0.059 0.000 0.616 1176 A CB -0.787 18.169 19.000 -0.073 0.000 0.823 1176 A HN 0.589 nan 8.150 nan 0.000 0.442 1177 D N 0.565 120.950 120.400 -0.025 0.000 2.103 1177 D HA -0.114 4.526 4.640 -0.000 0.000 0.199 1177 D C 1.584 177.877 176.300 -0.012 0.000 0.978 1177 D CA 1.238 55.228 54.000 -0.016 0.000 0.829 1177 D CB -0.637 40.155 40.800 -0.014 0.000 0.981 1177 D HN 0.559 nan 8.370 nan 0.000 0.464 1178 I N -1.457 119.107 120.570 -0.011 0.000 2.756 1178 I HA 0.126 4.296 4.170 -0.000 0.000 0.262 1178 I C 1.952 178.062 176.117 -0.013 0.000 1.225 1178 I CA 1.041 62.334 61.300 -0.011 0.000 1.472 1178 I CB -0.415 37.580 38.000 -0.009 0.000 1.094 1178 I HN 0.091 nan 8.210 nan 0.000 0.454 1179 A N 0.831 123.644 122.820 -0.013 0.000 2.308 1179 A HA 0.327 4.647 4.320 -0.000 0.000 0.217 1179 A C 0.999 178.582 177.584 -0.001 0.000 1.216 1179 A CA -0.388 51.643 52.037 -0.010 0.000 0.864 1179 A CB -0.416 18.579 19.000 -0.008 0.000 0.902 1179 A HN 0.460 nan 8.150 nan 0.000 0.499 1180 R N -1.513 118.986 120.500 -0.002 0.000 2.994 1180 R HA -0.078 4.262 4.340 -0.000 0.000 0.267 1180 R C -0.653 175.650 176.300 0.006 0.000 0.914 1180 R CA 0.681 56.783 56.100 0.003 0.000 0.668 1180 R CB -2.422 27.885 30.300 0.011 0.000 1.524 1180 R HN 0.628 nan 8.270 nan 0.000 0.478 1181 V N -0.583 119.330 119.914 -0.002 0.000 3.245 1181 V HA 0.359 4.479 4.120 -0.000 0.000 0.297 1181 V C -1.384 174.703 176.094 -0.012 0.000 1.748 1181 V CA -0.715 61.584 62.300 -0.001 0.000 0.993 1181 V CB 2.514 34.340 31.823 0.006 0.000 1.094 1181 V HN 0.407 nan 8.190 nan 0.000 0.485 1182 D N -0.412 119.981 120.400 -0.013 0.000 2.533 1182 D HA 0.521 5.161 4.640 -0.000 0.000 0.247 1182 D C -0.143 176.139 176.300 -0.029 0.000 1.056 1182 D CA -0.510 53.477 54.000 -0.021 0.000 1.054 1182 D CB 1.911 42.703 40.800 -0.013 0.000 1.400 1182 D HN 0.442 nan 8.370 nan 0.000 0.533 1183 K N 0.343 120.721 120.400 -0.037 0.000 2.442 1183 K HA -0.109 4.211 4.320 -0.000 0.000 0.198 1183 K C 1.411 178.003 176.600 -0.012 0.000 1.044 1183 K CA 0.956 57.216 56.287 -0.045 0.000 0.948 1183 K CB -0.098 32.375 32.500 -0.046 0.000 0.762 1183 K HN 0.344 nan 8.250 nan 0.000 0.472 1184 K N 1.163 121.562 120.400 -0.001 0.000 1.978 1184 K HA -0.148 4.172 4.320 -0.000 0.000 0.221 1184 K C 1.773 178.389 176.600 0.025 0.000 1.036 1184 K CA 1.368 57.663 56.287 0.013 0.000 0.996 1184 K CB -0.606 31.900 32.500 0.010 0.000 0.755 1184 K HN 0.050 nan 8.250 nan 0.000 0.445 1185 E N 1.887 122.099 120.200 0.020 0.000 2.160 1185 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 1185 E C 2.118 178.746 176.600 0.046 0.000 0.991 1185 E CA 1.239 57.655 56.400 0.027 0.000 0.810 1185 E CB -0.655 29.056 29.700 0.017 0.000 0.742 1185 E HN 0.536 nan 8.360 nan 0.000 0.466 1186 I N 1.675 122.265 120.570 0.034 0.000 2.099 1186 I HA -0.226 3.944 4.170 -0.000 0.000 0.239 1186 I C 2.651 178.825 176.117 0.094 0.000 1.066 1186 I CA 1.757 63.080 61.300 0.038 0.000 1.324 1186 I CB -0.763 37.217 38.000 -0.033 0.000 1.037 1186 I HN 0.269 nan 8.210 nan 0.000 0.401 1187 G N 0.366 109.212 108.800 0.077 0.000 2.440 1187 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 1187 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 1187 G C 1.771 176.795 174.900 0.207 0.000 1.154 1187 G CA 0.543 45.737 45.100 0.156 0.000 0.767 1187 G HN 0.330 nan 8.290 nan 0.000 0.552 1188 R N 0.706 121.290 120.500 0.140 0.000 2.075 1188 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 1188 R C 3.117 179.524 176.300 0.179 0.000 1.126 1188 R CA 1.620 57.804 56.100 0.140 0.000 0.963 1188 R CB -0.370 29.978 30.300 0.081 0.000 0.858 1188 R HN 0.528 nan 8.270 nan 0.000 0.435 1189 S N 0.280 116.071 115.700 0.151 0.000 2.383 1189 S HA -0.193 4.277 4.470 -0.000 0.000 0.227 1189 S C 1.905 176.651 174.600 0.243 0.000 1.026 1189 S CA 0.854 59.150 58.200 0.159 0.000 0.981 1189 S CB -0.636 62.627 63.200 0.105 0.000 0.818 1189 S HN 0.383 nan 8.310 nan 0.000 0.472 1190 Y N 3.179 123.564 120.300 0.143 0.000 2.036 1190 Y HA -0.082 4.468 4.550 -0.000 0.000 0.273 1190 Y C 2.532 178.527 175.900 0.158 0.000 1.135 1190 Y CA 1.728 59.928 58.100 0.167 0.000 1.106 1190 Y CB -0.825 37.759 38.460 0.207 0.000 0.976 1190 Y HN 0.088 nan 8.280 nan 0.000 0.483 1191 R N -1.092 119.384 120.500 -0.041 0.000 2.154 1191 R HA -0.227 4.113 4.340 -0.000 0.000 0.248 1191 R C 2.240 178.491 176.300 -0.081 0.000 1.155 1191 R CA 1.877 57.889 56.100 -0.147 0.000 0.979 1191 R CB -0.765 29.564 30.300 0.049 0.000 0.869 1191 R HN 0.432 nan 8.270 nan 0.000 0.452 1192 F N 0.751 120.656 119.950 -0.074 0.000 2.053 1192 F HA -0.073 4.454 4.527 -0.000 0.000 0.292 1192 F C 2.209 177.964 175.800 -0.075 0.000 1.125 1192 F CA 1.253 59.220 58.000 -0.055 0.000 1.193 1192 F CB -0.261 38.727 39.000 -0.020 0.000 0.996 1192 F HN -0.133 nan 8.300 nan 0.000 0.470 1193 I N -0.085 120.597 120.570 0.188 0.000 2.530 1193 I HA -0.264 3.906 4.170 -0.000 0.000 0.257 1193 I C 2.180 178.263 176.117 -0.057 0.000 1.179 1193 I CA 1.178 62.527 61.300 0.081 0.000 1.440 1193 I CB -0.426 37.634 38.000 0.101 0.000 1.087 1193 I HN 0.287 nan 8.210 nan 0.000 0.440 1194 A N 1.048 123.769 122.820 -0.164 0.000 1.824 1194 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 1194 A C 2.270 179.749 177.584 -0.175 0.000 1.209 1194 A CA 1.331 53.226 52.037 -0.237 0.000 0.614 1194 A CB -0.638 18.080 19.000 -0.471 0.000 0.852 1194 A HN 0.322 nan 8.150 nan 0.000 0.447 1195 R N -0.192 120.185 120.500 -0.204 0.000 2.307 1195 R HA -0.010 4.330 4.340 -0.000 0.000 0.199 1195 R C 1.482 177.664 176.300 -0.196 0.000 1.000 1195 R CA 0.834 56.828 56.100 -0.177 0.000 1.023 1195 R CB -0.855 29.343 30.300 -0.170 0.000 0.908 1195 R HN 0.652 nan 8.270 nan 0.000 0.473 1196 N N 0.114 118.670 118.700 -0.240 0.000 2.396 1196 N HA -0.013 4.727 4.740 -0.000 0.000 0.180 1196 N C 0.702 176.145 175.510 -0.113 0.000 1.028 1196 N CA 0.709 53.622 53.050 -0.228 0.000 0.893 1196 N CB 0.312 38.661 38.487 -0.230 0.000 0.967 1196 N HN 0.081 nan 8.380 nan 0.000 0.440 1197 L N -0.664 120.505 121.223 -0.090 0.000 2.935 1197 L HA 0.292 4.632 4.340 -0.000 0.000 0.214 1197 L C 1.077 177.916 176.870 -0.053 0.000 1.574 1197 L CA -0.646 54.162 54.840 -0.054 0.000 1.628 1197 L CB 0.151 42.190 42.059 -0.033 0.000 2.455 1197 L HN 0.026 nan 8.230 nan 0.000 0.578 1198 N N 0.147 118.826 118.700 -0.036 0.000 2.336 1198 N HA 0.115 4.855 4.740 -0.000 0.000 0.189 1198 N C -0.519 174.972 175.510 -0.031 0.000 1.113 1198 N CA -0.075 52.956 53.050 -0.031 0.000 0.858 1198 N CB 0.412 38.888 38.487 -0.019 0.000 0.970 1198 N HN 0.135 nan 8.380 nan 0.000 0.471 1199 L N 2.234 123.434 121.223 -0.038 0.000 2.534 1199 L HA 0.027 4.367 4.340 -0.000 0.000 0.271 1199 L C 1.172 178.018 176.870 -0.040 0.000 1.178 1199 L CA 0.495 55.314 54.840 -0.035 0.000 0.907 1199 L CB -0.096 41.935 42.059 -0.046 0.000 1.164 1199 L HN 0.103 nan 8.230 nan 0.000 0.482 1200 T N 1.502 116.045 114.554 -0.019 0.000 2.918 1200 T HA 0.512 4.862 4.350 -0.000 0.000 0.286 1200 T C -1.713 172.996 174.700 0.015 0.000 1.026 1200 T CA -1.891 60.201 62.100 -0.013 0.000 1.031 1200 T CB 1.889 70.749 68.868 -0.013 0.000 1.046 1200 T HN 0.427 nan 8.240 nan 0.000 0.479 1201 P HA -0.118 nan 4.420 nan 0.000 0.219 1201 P C 1.195 178.564 177.300 0.115 0.000 1.146 1201 P CA 0.973 64.122 63.100 0.081 0.000 0.808 1201 P CB 0.240 31.983 31.700 0.072 0.000 0.779 1202 K N 0.837 121.260 120.400 0.039 0.000 2.025 1202 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 1202 K C 2.088 178.729 176.600 0.068 0.000 1.049 1202 K CA 1.470 57.759 56.287 0.005 0.000 0.933 1202 K CB -0.541 31.924 32.500 -0.058 0.000 0.714 1202 K HN -0.174 nan 8.250 nan 0.000 0.438 1203 K N 0.354 120.781 120.400 0.046 0.000 2.148 1203 K HA -0.001 4.319 4.320 -0.000 0.000 0.204 1203 K C 1.854 178.491 176.600 0.063 0.000 1.050 1203 K CA 1.066 57.379 56.287 0.043 0.000 0.942 1203 K CB -0.145 32.366 32.500 0.018 0.000 0.724 1203 K HN 0.240 nan 8.250 nan 0.000 0.446 1204 L N -0.039 121.233 121.223 0.082 0.000 2.591 1204 L HA 0.134 4.474 4.340 -0.000 0.000 0.228 1204 L C 0.661 177.588 176.870 0.095 0.000 1.133 1204 L CA -0.480 54.403 54.840 0.071 0.000 0.880 1204 L CB -0.177 41.936 42.059 0.090 0.000 1.033 1204 L HN -0.075 nan 8.230 nan 0.000 0.450 1205 F N 1.833 121.774 119.950 -0.014 0.000 2.541 1205 F HA 0.216 4.742 4.527 -0.000 0.000 0.378 1205 F C 0.015 175.796 175.800 -0.031 0.000 1.068 1205 F CA -0.341 57.654 58.000 -0.010 0.000 1.199 1205 F CB 0.467 39.459 39.000 -0.013 0.000 1.091 1205 F HN -0.345 nan 8.300 nan 0.000 0.555 1206 V N 6.358 125.954 119.914 -0.530 0.000 2.444 1206 V HA 0.360 4.480 4.120 -0.000 0.000 0.294 1206 V C -0.268 175.501 176.094 -0.542 0.000 1.022 1206 V CA -1.289 60.774 62.300 -0.396 0.000 0.850 1206 V CB 1.398 33.052 31.823 -0.282 0.000 0.992 1206 V HN 0.626 nan 8.190 nan 0.000 0.426 1207 K N 4.327 124.530 120.400 -0.328 0.000 2.126 1207 K HA 0.350 4.670 4.320 -0.000 0.000 0.257 1207 K C -1.792 174.812 176.600 0.007 0.000 1.007 1207 K CA -1.544 54.636 56.287 -0.178 0.000 0.928 1207 K CB 1.068 33.557 32.500 -0.017 0.000 1.013 1207 K HN 0.287 nan 8.250 nan 0.000 0.473 1208 P HA -0.158 nan 4.420 nan 0.000 0.220 1208 P C 0.927 178.339 177.300 0.186 0.000 1.148 1208 P CA 1.261 64.472 63.100 0.183 0.000 0.803 1208 P CB 0.083 31.846 31.700 0.105 0.000 0.782 1209 T N -3.968 110.641 114.554 0.091 0.000 2.929 1209 T HA -0.129 4.221 4.350 -0.000 0.000 0.271 1209 T C 1.380 176.085 174.700 0.008 0.000 1.085 1209 T CA 1.092 63.225 62.100 0.055 0.000 1.125 1209 T CB -0.873 68.014 68.868 0.032 0.000 0.874 1209 T HN 0.072 nan 8.240 nan 0.000 0.494 1210 D N 0.379 120.756 120.400 -0.039 0.000 2.310 1210 D HA -0.005 4.635 4.640 -0.000 0.000 0.212 1210 D C 0.962 177.078 176.300 -0.307 0.000 0.965 1210 D CA 0.826 54.715 54.000 -0.186 0.000 0.879 1210 D CB -0.093 40.538 40.800 -0.282 0.000 0.921 1210 D HN 0.564 nan 8.370 nan 0.000 0.510 1211 Y N -0.325 119.848 120.300 -0.211 0.000 2.497 1211 Y HA 0.023 4.573 4.550 -0.000 0.000 0.265 1211 Y C 2.282 177.943 175.900 -0.399 0.000 1.111 1211 Y CA -0.128 57.713 58.100 -0.433 0.000 1.288 1211 Y CB 0.098 38.269 38.460 -0.481 0.000 1.082 1211 Y HN -0.215 nan 8.280 nan 0.000 0.536 1212 V N 0.646 120.555 119.914 -0.008 0.000 2.324 1212 V HA -0.372 3.748 4.120 -0.000 0.000 0.250 1212 V C 1.638 177.741 176.094 0.015 0.000 1.060 1212 V CA 2.472 64.798 62.300 0.043 0.000 1.042 1212 V CB -0.635 31.223 31.823 0.058 0.000 0.650 1212 V HN 0.519 nan 8.190 nan 0.000 0.450 1213 N N -0.427 118.251 118.700 -0.036 0.000 2.106 1213 N HA -0.204 4.536 4.740 -0.000 0.000 0.188 1213 N C 1.951 177.448 175.510 -0.022 0.000 1.029 1213 N CA 1.352 54.388 53.050 -0.023 0.000 0.848 1213 N CB -0.178 38.284 38.487 -0.042 0.000 1.007 1213 N HN 0.437 nan 8.380 nan 0.000 0.423 1214 K N 0.461 120.800 120.400 -0.101 0.000 2.009 1214 K HA -0.140 4.180 4.320 -0.000 0.000 0.210 1214 K C 1.461 178.122 176.600 0.100 0.000 1.049 1214 K CA 1.371 57.618 56.287 -0.066 0.000 0.929 1214 K CB -0.102 32.283 32.500 -0.191 0.000 0.714 1214 K HN 0.041 nan 8.250 nan 0.000 0.440 1215 F N 0.794 120.789 119.950 0.075 0.000 2.216 1215 F HA -0.055 4.471 4.527 -0.000 0.000 0.300 1215 F C 2.415 178.242 175.800 0.045 0.000 1.085 1215 F CA 0.805 58.842 58.000 0.062 0.000 1.326 1215 F CB -1.160 37.883 39.000 0.071 0.000 1.027 1215 F HN 0.157 nan 8.300 nan 0.000 0.497 1216 A N -0.367 122.578 122.820 0.208 0.000 1.968 1216 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 1216 A C 2.053 179.693 177.584 0.094 0.000 1.169 1216 A CA 1.537 53.650 52.037 0.127 0.000 0.638 1216 A CB -0.608 18.445 19.000 0.087 0.000 0.812 1216 A HN 0.199 nan 8.150 nan 0.000 0.446 1217 D N 0.010 120.464 120.400 0.089 0.000 2.117 1217 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 1217 D C 1.866 178.210 176.300 0.073 0.000 0.982 1217 D CA 1.374 55.413 54.000 0.066 0.000 0.828 1217 D CB -0.290 40.541 40.800 0.053 0.000 0.967 1217 D HN 0.630 nan 8.370 nan 0.000 0.464 1218 E N -0.161 120.102 120.200 0.105 0.000 2.204 1218 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 1218 E C 1.616 178.255 176.600 0.065 0.000 0.989 1218 E CA 0.279 56.733 56.400 0.090 0.000 0.824 1218 E CB 0.201 29.974 29.700 0.122 0.000 0.756 1218 E HN 0.117 nan 8.360 nan 0.000 0.477 1219 L N -0.622 120.645 121.223 0.074 0.000 2.509 1219 L HA 0.149 4.489 4.340 -0.000 0.000 0.222 1219 L C 1.053 177.947 176.870 0.040 0.000 1.123 1219 L CA 1.115 55.986 54.840 0.052 0.000 0.856 1219 L CB -0.157 41.939 42.059 0.062 0.000 0.985 1219 L HN 0.206 nan 8.230 nan 0.000 0.456 1220 G N -0.139 108.686 108.800 0.042 0.000 2.754 1220 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.215 1220 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.215 1220 G C 0.390 175.308 174.900 0.030 0.000 1.121 1220 G CA -0.140 44.979 45.100 0.030 0.000 0.954 1220 G HN 0.259 nan 8.290 nan 0.000 0.511 1221 L N -1.989 119.255 121.223 0.035 0.000 5.226 1221 L HA 0.050 4.390 4.340 -0.000 0.000 0.053 1221 L C 1.055 177.941 176.870 0.026 0.000 2.043 1221 L CA 2.147 57.006 54.840 0.032 0.000 1.957 1221 L CB -1.555 40.520 42.059 0.026 0.000 2.409 1221 L HN 2.548 nan 8.230 nan 0.000 0.825 1222 S N -2.010 113.703 115.700 0.020 0.000 2.918 1222 S HA -0.050 4.420 4.470 -0.000 0.000 0.837 1222 S C 0.660 175.270 174.600 0.016 0.000 0.719 1222 S CA 0.417 58.626 58.200 0.015 0.000 1.551 1222 S CB -0.840 62.368 63.200 0.012 0.000 1.093 1222 S HN 0.918 nan 8.310 nan 0.000 0.622 1223 E N 3.601 123.809 120.200 0.013 0.000 2.209 1223 E HA -0.139 4.211 4.350 -0.000 0.000 0.196 1223 E C 1.789 178.397 176.600 0.013 0.000 0.993 1223 E CA 1.548 57.956 56.400 0.013 0.000 0.819 1223 E CB -0.052 29.654 29.700 0.009 0.000 0.745 1223 E HN 0.756 nan 8.360 nan 0.000 0.477 1224 K N 0.118 120.524 120.400 0.011 0.000 2.026 1224 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 1224 K C 2.235 178.842 176.600 0.012 0.000 1.048 1224 K CA 1.215 57.507 56.287 0.009 0.000 0.929 1224 K CB -0.125 32.378 32.500 0.006 0.000 0.713 1224 K HN -0.052 nan 8.250 nan 0.000 0.439 1225 V N 1.519 121.441 119.914 0.013 0.000 2.295 1225 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 1225 V C 2.155 178.265 176.094 0.028 0.000 1.049 1225 V CA 1.711 64.021 62.300 0.017 0.000 1.024 1225 V CB -0.466 31.367 31.823 0.017 0.000 0.648 1225 V HN 0.296 nan 8.190 nan 0.000 0.447 1226 R N -0.468 120.050 120.500 0.030 0.000 2.105 1226 R HA -0.126 4.214 4.340 -0.000 0.000 0.239 1226 R C 2.495 178.814 176.300 0.032 0.000 1.135 1226 R CA 1.049 57.171 56.100 0.036 0.000 0.967 1226 R CB -0.377 29.941 30.300 0.030 0.000 0.861 1226 R HN 0.326 nan 8.270 nan 0.000 0.442 1227 R N 0.658 121.172 120.500 0.024 0.000 2.075 1227 R HA -0.043 4.297 4.340 -0.000 0.000 0.232 1227 R C 2.158 178.474 176.300 0.027 0.000 1.126 1227 R CA 1.176 57.289 56.100 0.022 0.000 0.963 1227 R CB -0.460 29.850 30.300 0.017 0.000 0.858 1227 R HN 0.042 nan 8.270 nan 0.000 0.435 1228 R N 0.862 121.377 120.500 0.025 0.000 2.115 1228 R HA 0.061 4.401 4.340 -0.000 0.000 0.230 1228 R C 1.867 178.190 176.300 0.038 0.000 1.111 1228 R CA 1.531 57.647 56.100 0.027 0.000 0.976 1228 R CB -0.556 29.755 30.300 0.018 0.000 0.870 1228 R HN 0.207 nan 8.270 nan 0.000 0.445 1229 A N 0.147 122.993 122.820 0.045 0.000 1.898 1229 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 1229 A C 2.204 179.827 177.584 0.065 0.000 1.181 1229 A CA 1.304 53.378 52.037 0.062 0.000 0.620 1229 A CB -0.445 18.599 19.000 0.073 0.000 0.819 1229 A HN 0.330 nan 8.150 nan 0.000 0.442 1230 I N -0.544 120.059 120.570 0.054 0.000 2.315 1230 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 1230 I C 2.429 178.578 176.117 0.053 0.000 1.117 1230 I CA 1.337 62.669 61.300 0.052 0.000 1.404 1230 I CB -0.367 37.656 38.000 0.037 0.000 1.071 1230 I HN 0.437 nan 8.210 nan 0.000 0.419 1231 E N 0.956 121.185 120.200 0.047 0.000 2.072 1231 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 1231 E C 2.273 178.908 176.600 0.057 0.000 0.985 1231 E CA 1.197 57.625 56.400 0.047 0.000 0.801 1231 E CB -0.016 29.707 29.700 0.037 0.000 0.750 1231 E HN 0.460 nan 8.360 nan 0.000 0.452 1232 I N 0.896 121.502 120.570 0.060 0.000 2.226 1232 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 1232 I C 2.265 178.432 176.117 0.083 0.000 1.100 1232 I CA 0.990 62.331 61.300 0.068 0.000 1.374 1232 I CB -0.147 37.896 38.000 0.072 0.000 1.057 1232 I HN 0.110 nan 8.210 nan 0.000 0.413 1233 L N 0.044 121.320 121.223 0.088 0.000 2.056 1233 L HA -0.222 4.118 4.340 -0.000 0.000 0.207 1233 L C 2.168 179.113 176.870 0.125 0.000 1.078 1233 L CA 1.216 56.119 54.840 0.105 0.000 0.749 1233 L CB -0.648 41.470 42.059 0.098 0.000 0.901 1233 L HN 0.251 nan 8.230 nan 0.000 0.433 1234 D N -0.233 120.229 120.400 0.103 0.000 2.117 1234 D HA -0.212 4.428 4.640 -0.000 0.000 0.198 1234 D C 2.065 178.450 176.300 0.143 0.000 0.982 1234 D CA 1.196 55.266 54.000 0.115 0.000 0.828 1234 D CB 0.049 40.895 40.800 0.076 0.000 0.967 1234 D HN 0.249 nan 8.370 nan 0.000 0.464 1235 E N 0.911 121.174 120.200 0.104 0.000 2.150 1235 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 1235 E C 1.823 178.476 176.600 0.089 0.000 0.985 1235 E CA 1.285 57.738 56.400 0.087 0.000 0.814 1235 E CB -0.217 29.520 29.700 0.062 0.000 0.752 1235 E HN 0.147 nan 8.360 nan 0.000 0.466 1236 A N -0.330 122.551 122.820 0.102 0.000 1.930 1236 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 1236 A C 2.182 179.817 177.584 0.085 0.000 1.175 1236 A CA 1.488 53.576 52.037 0.085 0.000 0.627 1236 A CB -1.012 18.044 19.000 0.094 0.000 0.815 1236 A HN 0.531 nan 8.150 nan 0.000 0.443 1237 Y N 1.059 121.389 120.300 0.050 0.000 2.114 1237 Y HA -0.210 4.340 4.550 -0.000 0.000 0.284 1237 Y C 2.171 178.098 175.900 0.044 0.000 1.143 1237 Y CA 2.246 60.379 58.100 0.056 0.000 1.135 1237 Y CB -0.021 38.481 38.460 0.071 0.000 0.980 1237 Y HN 0.163 nan 8.280 nan 0.000 0.499 1238 K N 0.234 120.700 120.400 0.110 0.000 2.103 1238 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 1238 K C 1.560 178.133 176.600 -0.044 0.000 1.048 1238 K CA 1.283 57.596 56.287 0.043 0.000 0.930 1238 K CB -0.400 32.154 32.500 0.090 0.000 0.716 1238 K HN 0.313 nan 8.250 nan 0.000 0.444 1239 R N 0.417 120.897 120.500 -0.033 0.000 2.335 1239 R HA 0.079 4.418 4.340 -0.000 0.000 0.223 1239 R C 0.329 176.585 176.300 -0.074 0.000 0.940 1239 R CA 0.361 56.439 56.100 -0.038 0.000 1.086 1239 R CB -0.575 29.720 30.300 -0.009 0.000 1.073 1239 R HN 0.381 nan 8.270 nan 0.000 0.504 1240 G N 1.935 110.645 108.800 -0.150 0.000 2.372 1240 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.290 1240 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.290 1240 G C 0.364 175.208 174.900 -0.094 0.000 0.965 1240 G CA 0.229 45.224 45.100 -0.176 0.000 1.263 1240 G HN 0.415 nan 8.290 nan 0.000 0.498 1241 L N -0.222 120.963 121.223 -0.064 0.000 3.016 1241 L HA 0.236 4.576 4.340 -0.000 0.000 0.267 1241 L C 2.067 178.941 176.870 0.005 0.000 1.182 1241 L CA 0.627 55.456 54.840 -0.020 0.000 0.997 1241 L CB 0.371 42.429 42.059 -0.001 0.000 1.354 1241 L HN 0.464 nan 8.230 nan 0.000 0.569 1242 T N -5.582 108.977 114.554 0.008 0.000 2.969 1242 T HA 0.062 4.412 4.350 -0.000 0.000 0.250 1242 T C 1.009 175.748 174.700 0.064 0.000 1.021 1242 T CA -0.045 62.091 62.100 0.060 0.000 1.003 1242 T CB 0.241 69.194 68.868 0.141 0.000 1.040 1242 T HN 0.031 nan 8.240 nan 0.000 0.492 1243 S N 0.976 116.699 115.700 0.039 0.000 2.575 1243 S HA 0.386 4.856 4.470 -0.000 0.000 0.295 1243 S C 1.714 176.341 174.600 0.046 0.000 1.267 1243 S CA 1.041 59.273 58.200 0.053 0.000 1.074 1243 S CB -0.745 62.469 63.200 0.023 0.000 0.829 1243 S HN 1.287 nan 8.310 nan 0.000 0.497 1244 G N 4.293 113.128 108.800 0.059 0.000 2.299 1244 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.237 1244 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.237 1244 G C 0.025 174.948 174.900 0.039 0.000 1.027 1244 G CA 0.430 45.557 45.100 0.045 0.000 0.619 1244 G HN 0.708 nan 8.290 nan 0.000 0.513 1245 K N 1.775 122.199 120.400 0.039 0.000 2.258 1245 K HA 0.561 4.880 4.320 -0.000 0.000 0.264 1245 K C 0.960 177.576 176.600 0.027 0.000 1.007 1245 K CA 0.508 56.812 56.287 0.029 0.000 0.941 1245 K CB 1.066 33.585 32.500 0.031 0.000 0.966 1245 K HN 0.574 nan 8.250 nan 0.000 0.480 1246 S N 1.820 117.526 115.700 0.010 0.000 2.565 1246 S HA 0.222 4.692 4.470 -0.000 0.000 0.276 1246 S C -1.786 172.798 174.600 -0.027 0.000 1.326 1246 S CA -1.058 57.139 58.200 -0.006 0.000 1.045 1246 S CB 1.105 64.295 63.200 -0.018 0.000 0.918 1246 S HN 0.343 nan 8.310 nan 0.000 0.505 1247 P HA -0.091 nan 4.420 nan 0.000 0.215 1247 P C 1.666 178.858 177.300 -0.179 0.000 1.157 1247 P CA 1.957 64.989 63.100 -0.114 0.000 0.874 1247 P CB -0.200 31.396 31.700 -0.174 0.000 0.790 1248 A N -0.261 122.424 122.820 -0.224 0.000 1.908 1248 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 1248 A C 2.498 180.043 177.584 -0.064 0.000 1.181 1248 A CA 2.157 54.109 52.037 -0.142 0.000 0.627 1248 A CB -1.881 17.044 19.000 -0.125 0.000 0.818 1248 A HN 0.293 nan 8.150 nan 0.000 0.445 1249 G N -0.431 108.339 108.800 -0.050 0.000 2.408 1249 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.217 1249 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.217 1249 G C 1.556 176.464 174.900 0.014 0.000 1.150 1249 G CA 1.002 46.089 45.100 -0.022 0.000 0.776 1249 G HN 0.434 nan 8.290 nan 0.000 0.542 1250 L N -0.108 121.128 121.223 0.022 0.000 2.072 1250 L HA 0.015 4.355 4.340 -0.000 0.000 0.205 1250 L C 2.830 179.747 176.870 0.079 0.000 1.079 1250 L CA 0.483 55.356 54.840 0.055 0.000 0.752 1250 L CB -0.416 41.678 42.059 0.058 0.000 0.906 1250 L HN 0.164 nan 8.230 nan 0.000 0.436 1251 V N -0.157 119.803 119.914 0.077 0.000 2.548 1251 V HA -0.192 3.928 4.120 -0.000 0.000 0.249 1251 V C 2.548 178.729 176.094 0.145 0.000 1.055 1251 V CA 1.646 64.026 62.300 0.133 0.000 1.065 1251 V CB 0.034 31.968 31.823 0.185 0.000 0.681 1251 V HN 0.401 nan 8.190 nan 0.000 0.462 1252 A N 0.071 122.943 122.820 0.086 0.000 1.877 1252 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 1252 A C 2.443 180.084 177.584 0.096 0.000 1.186 1252 A CA 2.118 54.180 52.037 0.042 0.000 0.620 1252 A CB -1.059 17.914 19.000 -0.045 0.000 0.822 1252 A HN 0.796 nan 8.150 nan 0.000 0.443 1253 A N -0.186 122.704 122.820 0.116 0.000 1.902 1253 A HA 0.179 4.499 4.320 -0.000 0.000 0.217 1253 A C 2.519 180.238 177.584 0.224 0.000 1.181 1253 A CA 2.119 54.279 52.037 0.204 0.000 0.623 1253 A CB -1.059 18.062 19.000 0.202 0.000 0.818 1253 A HN 1.045 nan 8.150 nan 0.000 0.443 1254 A N -0.241 122.676 122.820 0.162 0.000 1.877 1254 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 1254 A C 2.202 179.859 177.584 0.123 0.000 1.186 1254 A CA 1.554 53.672 52.037 0.135 0.000 0.620 1254 A CB -0.685 18.385 19.000 0.116 0.000 0.822 1254 A HN 0.466 nan 8.150 nan 0.000 0.443 1255 L N -2.058 119.246 121.223 0.135 0.000 2.042 1255 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 1255 L C 2.617 179.554 176.870 0.112 0.000 1.076 1255 L CA 1.899 56.811 54.840 0.121 0.000 0.749 1255 L CB -0.571 41.574 42.059 0.143 0.000 0.893 1255 L HN 0.627 nan 8.230 nan 0.000 0.432 1256 Y N 0.760 121.059 120.300 -0.001 0.000 2.114 1256 Y HA -0.263 4.287 4.550 0.000 0.000 0.284 1256 Y C 2.351 178.220 175.900 -0.051 0.000 1.143 1256 Y CA 1.574 59.641 58.100 -0.055 0.000 1.135 1256 Y CB -0.287 38.105 38.460 -0.113 0.000 0.980 1256 Y HN 0.024 nan 8.280 nan 0.000 0.499 1257 I N 0.128 120.657 120.570 -0.068 0.000 2.226 1257 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 1257 I C 2.660 178.712 176.117 -0.109 0.000 1.100 1257 I CA 1.269 62.499 61.300 -0.116 0.000 1.374 1257 I CB -0.779 37.273 38.000 0.087 0.000 1.057 1257 I HN 0.324 nan 8.210 nan 0.000 0.413 1258 A N 0.798 123.594 122.820 -0.040 0.000 1.898 1258 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 1258 A C 2.525 180.075 177.584 -0.057 0.000 1.181 1258 A CA 2.089 54.111 52.037 -0.026 0.000 0.620 1258 A CB -0.899 18.109 19.000 0.013 0.000 0.819 1258 A HN 0.522 nan 8.150 nan 0.000 0.442 1259 S N 0.083 115.736 115.700 -0.079 0.000 2.383 1259 S HA -0.158 4.312 4.470 -0.000 0.000 0.229 1259 S C 1.900 176.425 174.600 -0.126 0.000 1.030 1259 S CA 1.597 59.747 58.200 -0.084 0.000 1.002 1259 S CB -0.741 62.415 63.200 -0.074 0.000 0.829 1259 S HN 0.434 nan 8.310 nan 0.000 0.467 1260 L N 0.744 121.839 121.223 -0.214 0.000 2.005 1260 L HA 0.007 4.347 4.340 -0.000 0.000 0.207 1260 L C 2.746 179.550 176.870 -0.110 0.000 1.072 1260 L CA 1.286 56.004 54.840 -0.202 0.000 0.744 1260 L CB -0.603 41.272 42.059 -0.306 0.000 0.895 1260 L HN 0.304 nan 8.230 nan 0.000 0.433 1261 L N -0.620 120.551 121.223 -0.088 0.000 2.079 1261 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 1261 L C 2.167 179.017 176.870 -0.034 0.000 1.081 1261 L CA 1.019 55.832 54.840 -0.046 0.000 0.752 1261 L CB -0.487 41.555 42.059 -0.027 0.000 0.896 1261 L HN 0.298 nan 8.230 nan 0.000 0.433 1262 E N 0.058 120.237 120.200 -0.035 0.000 2.489 1262 E HA 0.069 4.419 4.350 -0.000 0.000 0.193 1262 E C 1.390 177.975 176.600 -0.024 0.000 1.057 1262 E CA 0.674 57.061 56.400 -0.023 0.000 0.866 1262 E CB 0.246 29.937 29.700 -0.015 0.000 0.916 1262 E HN 0.469 nan 8.360 nan 0.000 0.500 1263 G N 2.028 110.807 108.800 -0.035 0.000 2.176 1263 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.252 1263 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.252 1263 G C 0.122 175.005 174.900 -0.028 0.000 1.024 1263 G CA 0.364 45.445 45.100 -0.031 0.000 0.755 1263 G HN 0.342 nan 8.290 nan 0.000 0.507 1264 E N -0.160 120.021 120.200 -0.032 0.000 3.659 1264 E HA 0.187 4.536 4.350 -0.000 0.000 0.217 1264 E C 0.522 177.103 176.600 -0.033 0.000 1.141 1264 E CA -0.584 55.803 56.400 -0.023 0.000 1.340 1264 E CB 0.595 30.288 29.700 -0.012 0.000 1.295 1264 E HN 0.480 nan 8.360 nan 0.000 0.434 1265 K N 1.705 122.076 120.400 -0.047 0.000 2.524 1265 K HA 0.042 4.362 4.320 -0.000 0.000 0.279 1265 K C -0.205 176.383 176.600 -0.020 0.000 0.993 1265 K CA 0.481 56.731 56.287 -0.063 0.000 1.030 1265 K CB 0.519 32.980 32.500 -0.064 0.000 0.891 1265 K HN 0.028 nan 8.250 nan 0.000 0.488 1266 R N 1.742 122.243 120.500 0.002 0.000 2.686 1266 R HA 0.212 4.552 4.340 -0.000 0.000 0.283 1266 R C -0.914 175.475 176.300 0.149 0.000 0.978 1266 R CA -0.500 55.634 56.100 0.057 0.000 0.897 1266 R CB 1.662 31.999 30.300 0.062 0.000 1.192 1266 R HN 0.834 nan 8.270 nan 0.000 0.457 1267 T N -0.090 114.528 114.554 0.106 0.000 2.813 1267 T HA 0.070 4.420 4.350 -0.000 0.000 0.297 1267 T C 0.942 175.643 174.700 0.003 0.000 1.036 1267 T CA -0.359 61.805 62.100 0.107 0.000 1.044 1267 T CB 1.013 69.894 68.868 0.021 0.000 0.993 1267 T HN 0.646 nan 8.240 nan 0.000 0.535 1268 Q N 0.026 119.689 119.800 -0.228 0.000 2.170 1268 Q HA -0.145 4.195 4.340 -0.000 0.000 0.203 1268 Q C 2.489 178.347 176.000 -0.237 0.000 0.976 1268 Q CA 1.325 56.833 55.803 -0.491 0.000 0.858 1268 Q CB -0.162 28.233 28.738 -0.572 0.000 0.907 1268 Q HN 0.717 nan 8.270 nan 0.000 0.433 1269 R N 1.102 121.516 120.500 -0.144 0.000 2.092 1269 R HA -0.151 4.189 4.340 -0.000 0.000 0.231 1269 R C 1.718 177.968 176.300 -0.084 0.000 1.119 1269 R CA 1.375 57.415 56.100 -0.100 0.000 0.970 1269 R CB 0.138 30.397 30.300 -0.069 0.000 0.864 1269 R HN 0.281 nan 8.270 nan 0.000 0.440 1270 E N -0.417 119.747 120.200 -0.060 0.000 2.072 1270 E HA -0.141 4.208 4.350 -0.000 0.000 0.191 1270 E C 1.960 178.521 176.600 -0.065 0.000 0.985 1270 E CA 1.454 57.827 56.400 -0.045 0.000 0.801 1270 E CB 0.132 29.824 29.700 -0.012 0.000 0.750 1270 E HN 0.150 nan 8.360 nan 0.000 0.452 1271 V N 1.325 121.200 119.914 -0.065 0.000 2.358 1271 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 1271 V C 2.320 178.321 176.094 -0.157 0.000 1.047 1271 V CA 1.725 63.974 62.300 -0.084 0.000 1.035 1271 V CB -0.692 31.115 31.823 -0.026 0.000 0.658 1271 V HN 0.303 nan 8.190 nan 0.000 0.452 1272 A N -0.128 122.599 122.820 -0.155 0.000 1.940 1272 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 1272 A C 2.170 179.655 177.584 -0.164 0.000 1.176 1272 A CA 1.980 53.921 52.037 -0.159 0.000 0.631 1272 A CB -0.441 18.477 19.000 -0.138 0.000 0.814 1272 A HN 0.647 nan 8.150 nan 0.000 0.446 1273 E N -0.305 119.810 120.200 -0.140 0.000 2.152 1273 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 1273 E C 2.056 178.556 176.600 -0.165 0.000 0.983 1273 E CA 1.350 57.675 56.400 -0.126 0.000 0.818 1273 E CB -0.286 29.363 29.700 -0.086 0.000 0.758 1273 E HN 0.662 nan 8.360 nan 0.000 0.467 1274 V N -1.335 118.448 119.914 -0.219 0.000 2.488 1274 V HA 0.080 4.200 4.120 -0.000 0.000 0.246 1274 V C 2.172 177.872 176.094 -0.658 0.000 1.046 1274 V CA 1.370 63.492 62.300 -0.297 0.000 1.053 1274 V CB -0.351 31.342 31.823 -0.217 0.000 0.679 1274 V HN 0.161 nan 8.190 nan 0.000 0.458 1275 A N -0.543 121.821 122.820 -0.759 0.000 2.119 1275 A HA 0.164 4.484 4.320 -0.000 0.000 0.216 1275 A C 1.555 178.886 177.584 -0.421 0.000 1.152 1275 A CA 0.689 52.160 52.037 -0.944 0.000 0.708 1275 A CB -0.480 18.176 19.000 -0.573 0.000 0.805 1275 A HN 0.647 nan 8.150 nan 0.000 0.460 1276 R N -1.804 118.529 120.500 -0.278 0.000 3.418 1276 R HA -0.134 4.206 4.340 -0.000 0.000 0.274 1276 R C -0.364 175.867 176.300 -0.117 0.000 1.108 1276 R CA 0.567 56.577 56.100 -0.150 0.000 0.741 1276 R CB -2.526 27.717 30.300 -0.095 0.000 1.223 1276 R HN 0.799 nan 8.270 nan 0.000 0.434 1277 V N -3.951 115.887 119.914 -0.126 0.000 3.126 1277 V HA 0.800 4.920 4.120 -0.000 0.000 0.314 1277 V C 0.836 176.877 176.094 -0.087 0.000 1.138 1277 V CA -0.310 61.934 62.300 -0.093 0.000 1.034 1277 V CB 1.974 33.743 31.823 -0.090 0.000 1.075 1277 V HN 0.253 nan 8.190 nan 0.000 0.442 1278 T N -1.928 112.585 114.554 -0.069 0.000 2.816 1278 T HA 0.407 4.757 4.350 -0.000 0.000 0.282 1278 T C 0.729 175.384 174.700 -0.076 0.000 0.993 1278 T CA 0.364 62.425 62.100 -0.065 0.000 0.994 1278 T CB 1.114 69.954 68.868 -0.048 0.000 1.025 1278 T HN 0.816 nan 8.240 nan 0.000 0.529 1279 E N -0.120 120.034 120.200 -0.078 0.000 2.208 1279 E HA -0.050 4.300 4.350 -0.000 0.000 0.193 1279 E C 2.127 178.685 176.600 -0.069 0.000 0.988 1279 E CA 0.509 56.852 56.400 -0.096 0.000 0.828 1279 E CB -0.187 29.457 29.700 -0.094 0.000 0.763 1279 E HN 0.479 nan 8.360 nan 0.000 0.478 1280 V N 0.879 120.765 119.914 -0.046 0.000 2.343 1280 V HA -0.250 3.869 4.120 -0.000 0.000 0.247 1280 V C 2.244 178.326 176.094 -0.020 0.000 1.051 1280 V CA 2.074 64.358 62.300 -0.026 0.000 1.036 1280 V CB -0.595 31.215 31.823 -0.022 0.000 0.654 1280 V HN 0.326 nan 8.190 nan 0.000 0.451 1281 T N -0.084 114.452 114.554 -0.029 0.000 2.746 1281 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 1281 T C 1.933 176.626 174.700 -0.012 0.000 1.039 1281 T CA 1.593 63.680 62.100 -0.022 0.000 1.142 1281 T CB -0.153 68.696 68.868 -0.032 0.000 0.866 1281 T HN 0.281 nan 8.240 nan 0.000 0.444 1282 V N 1.337 121.230 119.914 -0.036 0.000 2.358 1282 V HA -0.127 3.993 4.120 -0.000 0.000 0.246 1282 V C 2.574 178.702 176.094 0.058 0.000 1.047 1282 V CA 1.668 63.947 62.300 -0.034 0.000 1.035 1282 V CB -0.575 31.156 31.823 -0.154 0.000 0.658 1282 V HN 0.361 nan 8.190 nan 0.000 0.452 1283 R N 0.364 120.894 120.500 0.050 0.000 2.081 1283 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 1283 R C 2.229 178.596 176.300 0.113 0.000 1.131 1283 R CA 1.965 58.173 56.100 0.181 0.000 0.960 1283 R CB -0.251 30.099 30.300 0.084 0.000 0.856 1283 R HN 0.518 nan 8.270 nan 0.000 0.436 1284 N N 0.485 119.208 118.700 0.039 0.000 2.058 1284 N HA -0.149 4.591 4.740 -0.000 0.000 0.191 1284 N C 1.744 177.253 175.510 -0.002 0.000 1.037 1284 N CA 1.276 54.326 53.050 0.000 0.000 0.848 1284 N CB -0.308 38.178 38.487 -0.002 0.000 1.021 1284 N HN 0.191 nan 8.380 nan 0.000 0.422 1285 R N 0.363 120.885 120.500 0.035 0.000 2.081 1285 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 1285 R C 2.224 178.571 176.300 0.077 0.000 1.131 1285 R CA 0.853 56.983 56.100 0.049 0.000 0.960 1285 R CB -1.159 29.180 30.300 0.064 0.000 0.856 1285 R HN 0.495 nan 8.270 nan 0.000 0.436 1286 Y N 1.894 122.218 120.300 0.040 0.000 2.181 1286 Y HA -0.117 4.433 4.550 -0.000 0.000 0.288 1286 Y C 1.856 177.800 175.900 0.074 0.000 1.146 1286 Y CA 1.293 59.446 58.100 0.088 0.000 1.164 1286 Y CB -0.259 38.290 38.460 0.148 0.000 0.982 1286 Y HN -0.136 nan 8.280 nan 0.000 0.515 1287 K N 0.269 120.248 120.400 -0.701 0.000 2.097 1287 K HA -0.191 4.129 4.320 -0.000 0.000 0.205 1287 K C 2.204 178.635 176.600 -0.281 0.000 1.050 1287 K CA 1.528 57.426 56.287 -0.647 0.000 0.938 1287 K CB -0.172 32.078 32.500 -0.417 0.000 0.718 1287 K HN 0.546 nan 8.250 nan 0.000 0.442 1288 E N 1.119 121.224 120.200 -0.158 0.000 2.047 1288 E HA -0.152 4.197 4.350 -0.000 0.000 0.191 1288 E C 2.008 178.577 176.600 -0.052 0.000 0.987 1288 E CA 0.716 57.069 56.400 -0.079 0.000 0.799 1288 E CB 0.076 29.751 29.700 -0.041 0.000 0.752 1288 E HN 0.196 nan 8.360 nan 0.000 0.449 1289 L N 0.460 121.668 121.223 -0.026 0.000 2.046 1289 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 1289 L C 2.584 179.459 176.870 0.008 0.000 1.077 1289 L CA 0.741 55.591 54.840 0.017 0.000 0.747 1289 L CB -0.400 41.702 42.059 0.070 0.000 0.896 1289 L HN 0.108 nan 8.230 nan 0.000 0.432 1290 V N 0.770 120.671 119.914 -0.022 0.000 2.295 1290 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 1290 V C 2.524 178.604 176.094 -0.024 0.000 1.049 1290 V CA 2.275 64.569 62.300 -0.010 0.000 1.024 1290 V CB -0.662 31.143 31.823 -0.030 0.000 0.648 1290 V HN 0.646 nan 8.190 nan 0.000 0.447 1291 E N 0.701 120.869 120.200 -0.054 0.000 2.047 1291 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 1291 E C 2.061 178.648 176.600 -0.021 0.000 0.987 1291 E CA 1.345 57.722 56.400 -0.038 0.000 0.799 1291 E CB -0.428 29.241 29.700 -0.051 0.000 0.752 1291 E HN 0.493 nan 8.360 nan 0.000 0.449 1292 K N 0.204 120.592 120.400 -0.020 0.000 2.365 1292 K HA 0.065 4.385 4.320 -0.000 0.000 0.199 1292 K C 1.680 178.279 176.600 -0.001 0.000 1.045 1292 K CA 0.749 57.030 56.287 -0.011 0.000 0.962 1292 K CB 0.117 32.610 32.500 -0.012 0.000 0.759 1292 K HN 0.237 nan 8.250 nan 0.000 0.469 1293 L N 0.287 121.513 121.223 0.005 0.000 2.693 1293 L HA 0.128 4.468 4.340 -0.000 0.000 0.235 1293 L C -0.226 176.652 176.870 0.014 0.000 1.127 1293 L CA -0.240 54.608 54.840 0.015 0.000 0.914 1293 L CB 0.302 42.377 42.059 0.027 0.000 1.193 1293 L HN 0.004 nan 8.230 nan 0.000 0.502 1294 K N 1.723 122.128 120.400 0.008 0.000 3.278 1294 K HA -0.154 4.166 4.320 -0.000 0.000 0.270 1294 K C -0.279 176.330 176.600 0.015 0.000 0.955 1294 K CA 0.759 57.051 56.287 0.008 0.000 0.723 1294 K CB -1.744 30.759 32.500 0.006 0.000 1.382 1294 K HN 0.350 nan 8.250 nan 0.000 0.461 1295 I N 1.613 122.195 120.570 0.021 0.000 2.395 1295 I HA 0.058 4.228 4.170 -0.000 0.000 0.289 1295 I C 0.943 177.076 176.117 0.028 0.000 1.023 1295 I CA -0.426 60.891 61.300 0.028 0.000 1.350 1295 I CB 0.755 38.781 38.000 0.044 0.000 1.409 1295 I HN -0.180 nan 8.210 nan 0.000 0.507 1296 K N 6.458 126.872 120.400 0.022 0.000 2.231 1296 K HA 0.257 4.576 4.320 -0.000 0.000 0.255 1296 K C -0.564 176.047 176.600 0.018 0.000 1.108 1296 K CA -0.430 55.868 56.287 0.020 0.000 0.997 1296 K CB 1.052 33.559 32.500 0.013 0.000 1.549 1296 K HN 0.380 nan 8.250 nan 0.000 0.419 1297 V N 5.199 125.131 119.914 0.029 0.000 2.508 1297 V HA 0.195 4.315 4.120 -0.000 0.000 0.281 1297 V C -1.638 174.460 176.094 0.007 0.000 1.041 1297 V CA -1.378 60.932 62.300 0.018 0.000 1.016 1297 V CB 0.521 32.373 31.823 0.048 0.000 0.984 1297 V HN 0.583 nan 8.190 nan 0.000 0.478 1298 P HA 0.266 nan 4.420 nan 0.000 0.274 1298 P C 0.532 177.825 177.300 -0.011 0.000 1.260 1298 P CA -0.360 62.733 63.100 -0.011 0.000 0.793 1298 P CB 0.843 32.532 31.700 -0.019 0.000 1.048 1299 I N -1.370 119.197 120.570 -0.005 0.000 3.190 1299 I HA 0.526 4.696 4.170 -0.000 0.000 0.163 1299 I C 0.624 176.734 176.117 -0.010 0.000 1.480 1299 I CA -0.794 60.505 61.300 -0.001 0.000 0.670 1299 I CB -0.870 37.133 38.000 0.005 0.000 1.887 1299 I HN 0.354 nan 8.210 nan 0.000 1.011 1300 A N 0.000 122.817 122.820 -0.005 0.000 2.254 1300 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1300 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 1300 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 1300 A HN 0.000 nan 8.150 nan 0.000 0.486