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 2o9i_1_B DATA FIRST_RESID 1142 DATA SEQUENCE GLTEEQRMMI RELMDAQMKT FDTTFSHFKN FRLPGVLXXX XXXXXXXXXX DATA SEQUENCE SREEAAKWSQ VRKDLCSLKV SLQLRGEDGS VWNYKPPADS GGKEIFSLLP DATA SEQUENCE HMADMSTYMF KGIISFAKVI SYFRDLPIED QISLLKGAAF ELSQLRFNTV DATA SEQUENCE FNAETGTWEC GRLSYCLEDT AGGFQQLLLE PMLKFHYMLK KLQLHEEEYV DATA SEQUENCE LMQAISLFSP DRPGVLQHRV VDQLQEQFAI TLKSYIECNR PQPAHRFLFL DATA SEQUENCE KIMAMLTELR SINAQHTQRL LRIQDIHPFA TPLMQELFGI TG 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 1142 G HA2 0.000 nan 3.960 nan 0.000 0.244 1142 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 1142 G C 0.000 174.891 174.900 -0.016 0.000 0.946 1142 G CA 0.000 45.088 45.100 -0.020 0.000 0.502 1143 L N 2.750 123.971 121.223 -0.003 0.000 2.362 1143 L HA 0.653 4.994 4.340 0.001 0.000 0.275 1143 L C 0.753 177.634 176.870 0.020 0.000 0.998 1143 L CA -0.566 54.283 54.840 0.015 0.000 0.820 1143 L CB 1.765 43.846 42.059 0.035 0.000 1.270 1143 L HN 0.270 nan 8.230 nan 0.000 0.415 1144 T N -0.690 113.875 114.554 0.019 0.000 2.940 1144 T HA 0.066 4.417 4.350 0.001 0.000 0.309 1144 T C 1.062 175.778 174.700 0.027 0.000 1.056 1144 T CA -0.164 61.946 62.100 0.016 0.000 1.137 1144 T CB 0.735 69.609 68.868 0.009 0.000 0.976 1144 T HN 0.629 nan 8.240 nan 0.000 0.547 1145 E N 1.481 121.695 120.200 0.022 0.000 2.273 1145 E HA -0.246 4.105 4.350 0.001 0.000 0.198 1145 E C 1.904 178.524 176.600 0.034 0.000 1.002 1145 E CA 2.140 58.557 56.400 0.027 0.000 0.828 1145 E CB -0.304 29.408 29.700 0.020 0.000 0.747 1145 E HN 0.963 nan 8.360 nan 0.000 0.491 1146 E N 0.035 120.252 120.200 0.029 0.000 2.028 1146 E HA -0.282 4.069 4.350 0.001 0.000 0.191 1146 E C 2.105 178.736 176.600 0.052 0.000 0.988 1146 E CA 1.234 57.654 56.400 0.034 0.000 0.799 1146 E CB -0.529 29.181 29.700 0.016 0.000 0.755 1146 E HN 0.387 nan 8.360 nan 0.000 0.447 1147 Q N 0.534 120.367 119.800 0.054 0.000 2.096 1147 Q HA -0.122 4.219 4.340 0.001 0.000 0.204 1147 Q C 2.405 178.468 176.000 0.105 0.000 0.982 1147 Q CA 1.655 57.507 55.803 0.082 0.000 0.850 1147 Q CB -0.211 28.574 28.738 0.079 0.000 0.901 1147 Q HN 0.267 nan 8.270 nan 0.000 0.422 1148 R N -0.117 120.436 120.500 0.088 0.000 2.105 1148 R HA -0.140 4.201 4.340 0.001 0.000 0.239 1148 R C 2.078 178.431 176.300 0.087 0.000 1.135 1148 R CA 1.526 57.683 56.100 0.094 0.000 0.967 1148 R CB -0.203 30.139 30.300 0.070 0.000 0.861 1148 R HN 0.207 nan 8.270 nan 0.000 0.442 1149 M N -0.036 119.607 119.600 0.072 0.000 2.254 1149 M HA -0.029 4.451 4.480 0.001 0.000 0.265 1149 M C 2.085 178.428 176.300 0.072 0.000 1.066 1149 M CA 1.404 56.740 55.300 0.060 0.000 1.123 1149 M CB -0.035 32.592 32.600 0.045 0.000 1.388 1149 M HN 0.111 nan 8.290 nan 0.000 0.425 1150 M N -0.543 119.120 119.600 0.105 0.000 2.059 1150 M HA -0.211 4.270 4.480 0.001 0.000 0.259 1150 M C 1.868 178.263 176.300 0.158 0.000 1.072 1150 M CA 1.860 57.254 55.300 0.156 0.000 1.117 1150 M CB -0.256 32.465 32.600 0.200 0.000 1.320 1150 M HN 0.247 nan 8.290 nan 0.000 0.408 1151 I N -0.244 120.415 120.570 0.149 0.000 2.335 1151 I HA -0.340 3.831 4.170 0.001 0.000 0.251 1151 I C 2.404 178.582 176.117 0.102 0.000 1.129 1151 I CA 1.370 62.745 61.300 0.126 0.000 1.402 1151 I CB -0.510 37.575 38.000 0.141 0.000 1.069 1151 I HN 0.373 nan 8.210 nan 0.000 0.424 1152 R N 0.242 120.796 120.500 0.091 0.000 2.075 1152 R HA -0.119 4.222 4.340 0.001 0.000 0.226 1152 R C 2.259 178.590 176.300 0.052 0.000 1.114 1152 R CA 0.917 57.059 56.100 0.069 0.000 0.972 1152 R CB -0.260 30.075 30.300 0.058 0.000 0.869 1152 R HN 0.365 nan 8.270 nan 0.000 0.437 1153 E N 0.682 120.904 120.200 0.037 0.000 2.153 1153 E HA -0.183 4.168 4.350 0.001 0.000 0.194 1153 E C 1.602 178.205 176.600 0.005 0.000 0.988 1153 E CA 1.000 57.400 56.400 -0.001 0.000 0.811 1153 E CB 0.216 29.885 29.700 -0.051 0.000 0.746 1153 E HN 0.096 nan 8.360 nan 0.000 0.466 1154 L N -0.037 121.216 121.223 0.051 0.000 2.131 1154 L HA -0.084 4.257 4.340 0.001 0.000 0.206 1154 L C 2.349 179.312 176.870 0.156 0.000 1.087 1154 L CA 1.005 55.899 54.840 0.091 0.000 0.767 1154 L CB -0.530 41.606 42.059 0.129 0.000 0.917 1154 L HN 0.195 nan 8.230 nan 0.000 0.441 1155 M N -0.184 119.484 119.600 0.114 0.000 2.117 1155 M HA -0.229 4.252 4.480 0.001 0.000 0.262 1155 M C 1.910 178.270 176.300 0.099 0.000 1.065 1155 M CA 1.638 57.002 55.300 0.107 0.000 1.114 1155 M CB -0.511 32.138 32.600 0.082 0.000 1.361 1155 M HN 0.326 nan 8.290 nan 0.000 0.408 1156 D N -0.784 119.660 120.400 0.073 0.000 2.117 1156 D HA -0.110 4.530 4.640 0.001 0.000 0.197 1156 D C 1.846 178.186 176.300 0.067 0.000 0.987 1156 D CA 1.601 55.633 54.000 0.054 0.000 0.829 1156 D CB -0.029 40.787 40.800 0.027 0.000 0.961 1156 D HN 0.381 nan 8.370 nan 0.000 0.460 1157 A N -0.083 122.779 122.820 0.070 0.000 1.908 1157 A HA -0.248 4.072 4.320 0.001 0.000 0.218 1157 A C 2.201 179.932 177.584 0.246 0.000 1.181 1157 A CA 1.983 54.067 52.037 0.078 0.000 0.627 1157 A CB -0.958 17.984 19.000 -0.097 0.000 0.818 1157 A HN 0.363 nan 8.150 nan 0.000 0.445 1158 Q N -0.148 119.839 119.800 0.312 0.000 2.050 1158 Q HA -0.203 4.138 4.340 0.001 0.000 0.202 1158 Q C 2.079 178.187 176.000 0.180 0.000 0.980 1158 Q CA 2.490 58.446 55.803 0.254 0.000 0.840 1158 Q CB -0.502 28.337 28.738 0.170 0.000 0.898 1158 Q HN 0.801 nan 8.270 nan 0.000 0.424 1159 M N -0.942 118.729 119.600 0.119 0.000 2.175 1159 M HA -0.050 4.431 4.480 0.001 0.000 0.264 1159 M C 1.546 177.880 176.300 0.056 0.000 1.063 1159 M CA 1.771 57.110 55.300 0.064 0.000 1.119 1159 M CB -0.122 32.502 32.600 0.040 0.000 1.377 1159 M HN -0.097 nan 8.290 nan 0.000 0.415 1160 K N 0.360 120.800 120.400 0.066 0.000 2.288 1160 K HA 0.013 4.334 4.320 0.001 0.000 0.201 1160 K C 1.438 178.064 176.600 0.043 0.000 1.048 1160 K CA 1.607 57.919 56.287 0.043 0.000 0.956 1160 K CB -0.078 32.440 32.500 0.030 0.000 0.746 1160 K HN 0.723 nan 8.250 nan 0.000 0.461 1161 T N -2.969 111.637 114.554 0.086 0.000 3.043 1161 T HA 0.181 4.531 4.350 0.001 0.000 0.272 1161 T C 0.005 174.752 174.700 0.078 0.000 0.990 1161 T CA -0.569 61.568 62.100 0.061 0.000 0.897 1161 T CB -0.082 68.839 68.868 0.089 0.000 1.111 1161 T HN 0.069 nan 8.240 nan 0.000 0.529 1162 F N 2.575 122.456 119.950 -0.116 0.000 2.366 1162 F HA 0.452 4.980 4.527 0.001 0.000 0.366 1162 F C -0.837 174.858 175.800 -0.174 0.000 1.096 1162 F CA -1.257 56.624 58.000 -0.198 0.000 1.060 1162 F CB 0.877 39.754 39.000 -0.205 0.000 1.282 1162 F HN -0.070 nan 8.300 nan 0.000 0.450 1163 D N 4.331 124.669 120.400 -0.103 0.000 2.470 1163 D HA 0.034 4.675 4.640 0.001 0.000 0.226 1163 D C 1.482 177.447 176.300 -0.557 0.000 1.196 1163 D CA 0.057 53.922 54.000 -0.224 0.000 0.979 1163 D CB 0.998 41.810 40.800 0.020 0.000 1.059 1163 D HN 0.632 nan 8.370 nan 0.000 0.515 1164 T N -1.013 113.089 114.554 -0.754 0.000 2.929 1164 T HA -0.216 4.135 4.350 0.001 0.000 0.271 1164 T C 1.715 176.367 174.700 -0.079 0.000 1.085 1164 T CA 1.569 63.262 62.100 -0.678 0.000 1.125 1164 T CB -0.374 68.131 68.868 -0.605 0.000 0.874 1164 T HN 0.368 nan 8.240 nan 0.000 0.494 1165 T N -2.065 112.468 114.554 -0.036 0.000 3.065 1165 T HA 0.221 4.572 4.350 0.001 0.000 0.252 1165 T C 0.993 175.885 174.700 0.319 0.000 1.099 1165 T CA -0.138 62.041 62.100 0.132 0.000 1.063 1165 T CB -0.954 67.936 68.868 0.036 0.000 0.948 1165 T HN 0.377 nan 8.240 nan 0.000 0.506 1166 F N 1.587 121.577 119.950 0.065 0.000 3.021 1166 F HA -0.316 4.212 4.527 0.001 0.000 0.294 1166 F C 1.927 177.789 175.800 0.104 0.000 0.761 1166 F CA 0.589 58.668 58.000 0.131 0.000 1.102 1166 F CB -2.419 36.646 39.000 0.109 0.000 1.380 1166 F HN 0.455 nan 8.300 nan 0.000 0.387 1167 S N -0.745 115.022 115.700 0.112 0.000 2.402 1167 S HA -0.239 4.232 4.470 0.001 0.000 0.233 1167 S C 1.286 175.802 174.600 -0.140 0.000 1.030 1167 S CA 1.865 60.019 58.200 -0.076 0.000 1.003 1167 S CB -0.413 62.620 63.200 -0.278 0.000 0.813 1167 S HN 0.633 nan 8.310 nan 0.000 0.477 1168 H N -0.336 118.878 119.070 0.240 0.000 2.538 1168 H HA 0.332 4.889 4.556 0.001 0.000 0.286 1168 H C -0.636 174.892 175.328 0.333 0.000 1.035 1168 H CA -0.360 55.850 56.048 0.269 0.000 1.169 1168 H CB -0.322 29.608 29.762 0.281 0.000 1.417 1168 H HN 0.492 nan 8.280 nan 0.000 0.567 1169 F N 3.780 123.735 119.950 0.008 0.000 2.303 1169 F HA 0.298 4.826 4.527 0.002 0.000 0.368 1169 F C -0.069 175.819 175.800 0.146 0.000 1.105 1169 F CA -1.091 56.730 58.000 -0.298 0.000 1.153 1169 F CB 0.088 38.595 39.000 -0.822 0.000 1.362 1169 F HN -0.050 nan 8.300 nan 0.000 0.511 1170 K N 2.864 123.171 120.400 -0.155 0.000 2.469 1170 K HA 0.481 4.802 4.320 0.001 0.000 0.268 1170 K C -0.461 175.943 176.600 -0.328 0.000 1.027 1170 K CA -1.111 55.012 56.287 -0.274 0.000 0.893 1170 K CB 1.399 33.812 32.500 -0.145 0.000 1.460 1170 K HN 0.506 nan 8.250 nan 0.000 0.449 1171 N N -0.120 118.257 118.700 -0.539 0.000 2.776 1171 N HA -0.185 4.556 4.740 0.001 0.000 0.249 1171 N C -1.027 174.295 175.510 -0.314 0.000 1.111 1171 N CA 0.618 53.442 53.050 -0.377 0.000 0.711 1171 N CB -1.389 37.007 38.487 -0.152 0.000 1.065 1171 N HN 0.480 nan 8.380 nan 0.000 0.556 1172 F N -0.244 119.578 119.950 -0.214 0.000 2.378 1172 F HA 0.580 5.108 4.527 0.002 0.000 0.325 1172 F C 1.007 176.796 175.800 -0.019 0.000 1.097 1172 F CA -1.293 56.630 58.000 -0.129 0.000 1.079 1172 F CB 0.562 39.401 39.000 -0.269 0.000 1.240 1172 F HN -0.210 nan 8.300 nan 0.000 0.519 1173 R N 1.572 122.264 120.500 0.320 0.000 2.582 1173 R HA 0.663 5.004 4.340 0.001 0.000 0.271 1173 R C -0.855 175.655 176.300 0.350 0.000 1.078 1173 R CA -0.514 55.722 56.100 0.227 0.000 1.127 1173 R CB 0.642 31.045 30.300 0.172 0.000 1.038 1173 R HN 0.686 nan 8.270 nan 0.000 0.500 1174 L N 1.700 122.999 121.223 0.126 0.000 2.327 1174 L HA 0.530 4.870 4.340 0.001 0.000 0.258 1174 L C -2.165 174.614 176.870 -0.152 0.000 1.024 1174 L CA -2.462 52.362 54.840 -0.025 0.000 0.825 1174 L CB 1.963 43.953 42.059 -0.115 0.000 1.386 1174 L HN 0.392 nan 8.230 nan 0.000 0.417 1175 P HA 0.138 nan 4.420 nan 0.000 0.270 1175 P C -0.230 176.907 177.300 -0.271 0.000 1.223 1175 P CA -0.234 62.640 63.100 -0.376 0.000 0.785 1175 P CB 0.421 31.555 31.700 -0.943 0.000 0.923 1176 G N 0.085 108.809 108.800 -0.127 0.000 2.599 1176 G HA2 0.370 4.331 3.960 0.001 0.000 0.264 1176 G HA3 0.370 4.331 3.960 0.001 0.000 0.264 1176 G C -0.807 174.057 174.900 -0.060 0.000 1.200 1176 G CA -0.404 44.648 45.100 -0.079 0.000 0.896 1176 G HN 0.488 nan 8.290 nan 0.000 0.536 1177 V N 2.740 122.624 119.914 -0.051 0.000 2.370 1177 V HA 0.627 4.748 4.120 0.001 0.000 0.279 1177 V C 0.445 176.552 176.094 0.022 0.000 1.029 1177 V CA -0.313 61.978 62.300 -0.015 0.000 0.870 1177 V CB -0.537 31.259 31.823 -0.045 0.000 0.984 1177 V HN 0.900 nan 8.190 nan 0.000 0.451 1193 R N 2.049 122.549 120.500 0.000 0.000 2.065 1193 R HA 0.092 4.433 4.340 0.001 0.000 0.224 1193 R C 1.454 177.774 176.300 0.032 0.000 1.161 1193 R CA 1.784 57.890 56.100 0.011 0.000 0.923 1193 R CB -0.864 29.442 30.300 0.010 0.000 0.822 1193 R HN 0.240 nan 8.270 nan 0.000 0.437 1194 E N 0.738 120.956 120.200 0.031 0.000 2.689 1194 E HA -0.282 4.069 4.350 0.001 0.000 0.247 1194 E C 0.765 177.402 176.600 0.061 0.000 1.031 1194 E CA 2.090 58.514 56.400 0.040 0.000 1.400 1194 E CB -0.491 29.230 29.700 0.036 0.000 1.296 1194 E HN 0.545 nan 8.360 nan 0.000 0.475 1195 E N -0.827 119.425 120.200 0.086 0.000 2.434 1195 E HA 0.339 4.690 4.350 0.001 0.000 0.243 1195 E C 0.459 177.183 176.600 0.206 0.000 1.250 1195 E CA 0.310 56.793 56.400 0.138 0.000 1.568 1195 E CB 0.113 29.909 29.700 0.161 0.000 1.435 1195 E HN 0.256 nan 8.360 nan 0.000 0.432 1196 A N 0.067 122.972 122.820 0.142 0.000 2.197 1196 A HA 0.316 4.636 4.320 0.001 0.000 0.210 1196 A C 1.952 179.636 177.584 0.168 0.000 1.180 1196 A CA 0.708 52.832 52.037 0.145 0.000 0.846 1196 A CB 0.295 19.330 19.000 0.059 0.000 0.884 1196 A HN 0.398 nan 8.150 nan 0.000 0.487 1197 A N 0.282 123.179 122.820 0.128 0.000 2.030 1197 A HA 0.071 4.392 4.320 0.001 0.000 0.215 1197 A C 1.956 179.606 177.584 0.110 0.000 1.164 1197 A CA 1.139 53.237 52.037 0.101 0.000 0.697 1197 A CB -0.220 18.818 19.000 0.064 0.000 0.827 1197 A HN 0.406 nan 8.150 nan 0.000 0.457 1198 K N -1.230 119.244 120.400 0.124 0.000 2.057 1198 K HA -0.205 4.115 4.320 0.001 0.000 0.207 1198 K C 1.751 178.387 176.600 0.060 0.000 1.049 1198 K CA 1.603 57.933 56.287 0.071 0.000 0.931 1198 K CB -0.250 32.287 32.500 0.061 0.000 0.714 1198 K HN 0.655 nan 8.250 nan 0.000 0.440 1199 W N 1.101 122.429 121.300 0.047 0.000 2.354 1199 W HA -0.167 4.494 4.660 0.001 0.000 0.315 1199 W C 2.862 179.405 176.519 0.040 0.000 1.206 1199 W CA 1.563 58.944 57.345 0.061 0.000 1.290 1199 W CB -0.840 28.653 29.460 0.055 0.000 1.152 1199 W HN 0.020 nan 8.180 nan 0.000 0.489 1200 S N -0.325 115.531 115.700 0.259 0.000 2.387 1200 S HA -0.319 4.152 4.470 0.001 0.000 0.230 1200 S C 1.867 176.516 174.600 0.082 0.000 1.035 1200 S CA 2.027 60.316 58.200 0.148 0.000 1.014 1200 S CB -0.393 62.871 63.200 0.107 0.000 0.836 1200 S HN 0.300 nan 8.310 nan 0.000 0.466 1201 Q N 0.794 120.628 119.800 0.057 0.000 2.020 1201 Q HA 0.023 4.364 4.340 0.001 0.000 0.198 1201 Q C 2.044 178.040 176.000 -0.007 0.000 0.974 1201 Q CA 2.051 57.864 55.803 0.017 0.000 0.829 1201 Q CB -0.849 27.892 28.738 0.005 0.000 0.894 1201 Q HN 0.386 nan 8.270 nan 0.000 0.433 1202 V N 1.061 120.954 119.914 -0.036 0.000 2.380 1202 V HA -0.282 3.839 4.120 0.001 0.000 0.251 1202 V C 2.520 178.597 176.094 -0.028 0.000 1.063 1202 V CA 2.249 64.512 62.300 -0.062 0.000 1.055 1202 V CB -0.630 31.102 31.823 -0.151 0.000 0.657 1202 V HN 0.388 nan 8.190 nan 0.000 0.455 1203 R N 0.069 120.566 120.500 -0.006 0.000 2.092 1203 R HA -0.169 4.171 4.340 0.001 0.000 0.231 1203 R C 2.419 178.718 176.300 -0.001 0.000 1.119 1203 R CA 1.638 57.739 56.100 0.001 0.000 0.970 1203 R CB -0.192 30.147 30.300 0.066 0.000 0.864 1203 R HN 0.459 nan 8.270 nan 0.000 0.440 1204 K N 0.054 120.459 120.400 0.008 0.000 2.211 1204 K HA -0.121 4.200 4.320 0.001 0.000 0.203 1204 K C 0.938 177.538 176.600 0.000 0.000 1.050 1204 K CA 1.509 57.800 56.287 0.007 0.000 0.945 1204 K CB 0.157 32.663 32.500 0.011 0.000 0.732 1204 K HN 0.232 nan 8.250 nan 0.000 0.451 1205 D N 0.853 121.248 120.400 -0.009 0.000 2.085 1205 D HA -0.124 4.517 4.640 0.001 0.000 0.199 1205 D C 2.009 178.305 176.300 -0.007 0.000 0.981 1205 D CA 1.051 55.043 54.000 -0.013 0.000 0.834 1205 D CB -0.143 40.636 40.800 -0.034 0.000 0.992 1205 D HN 0.195 nan 8.370 nan 0.000 0.457 1206 L N 0.877 122.090 121.223 -0.016 0.000 2.201 1206 L HA -0.129 4.211 4.340 0.001 0.000 0.212 1206 L C 2.829 179.692 176.870 -0.011 0.000 1.105 1206 L CA 0.285 55.114 54.840 -0.019 0.000 0.775 1206 L CB -0.408 41.630 42.059 -0.035 0.000 0.913 1206 L HN 0.180 nan 8.230 nan 0.000 0.440 1207 C N 0.539 119.832 119.300 -0.011 0.000 2.367 1207 C HA -0.255 4.206 4.460 0.001 0.000 0.276 1207 C C 3.236 178.235 174.990 0.015 0.000 1.195 1207 C CA 1.826 60.842 59.018 -0.004 0.000 1.756 1207 C CB -0.749 26.991 27.740 -0.001 0.000 2.046 1207 C HN 0.700 nan 8.230 nan 0.000 0.453 1208 S N 0.476 116.192 115.700 0.026 0.000 2.515 1208 S HA 0.057 4.528 4.470 0.001 0.000 0.231 1208 S C 1.130 175.771 174.600 0.069 0.000 0.987 1208 S CA 1.060 59.286 58.200 0.045 0.000 0.936 1208 S CB -0.535 62.692 63.200 0.046 0.000 0.766 1208 S HN 0.727 nan 8.310 nan 0.000 0.528 1209 L N 0.360 121.618 121.223 0.058 0.000 2.872 1209 L HA 0.384 4.724 4.340 0.001 0.000 0.245 1209 L C 0.503 177.414 176.870 0.067 0.000 1.211 1209 L CA -0.332 54.551 54.840 0.071 0.000 1.013 1209 L CB -0.150 41.932 42.059 0.040 0.000 1.326 1209 L HN 0.085 nan 8.230 nan 0.000 0.525 1210 K N 2.138 122.575 120.400 0.063 0.000 2.350 1210 K HA 0.405 4.726 4.320 0.001 0.000 0.279 1210 K C -0.492 176.168 176.600 0.100 0.000 1.027 1210 K CA -0.187 56.136 56.287 0.059 0.000 0.969 1210 K CB 1.049 33.567 32.500 0.029 0.000 0.954 1210 K HN 0.062 nan 8.250 nan 0.000 0.474 1211 V N 0.010 119.995 119.914 0.118 0.000 3.114 1211 V HA 0.592 4.713 4.120 0.001 0.000 0.308 1211 V C -0.649 175.524 176.094 0.132 0.000 1.168 1211 V CA -1.021 61.377 62.300 0.164 0.000 1.015 1211 V CB 1.687 33.672 31.823 0.270 0.000 1.050 1211 V HN 0.822 nan 8.190 nan 0.000 0.433 1212 S N 2.710 118.473 115.700 0.106 0.000 2.578 1212 S HA 0.800 5.271 4.470 0.001 0.000 0.283 1212 S C -0.616 174.024 174.600 0.068 0.000 1.195 1212 S CA -0.683 57.549 58.200 0.053 0.000 1.050 1212 S CB 1.624 64.826 63.200 0.003 0.000 1.012 1212 S HN 1.181 nan 8.310 nan 0.000 0.511 1213 L N 1.855 123.126 121.223 0.079 0.000 2.322 1213 L HA 0.561 4.902 4.340 0.001 0.000 0.281 1213 L C -0.589 176.256 176.870 -0.041 0.000 1.014 1213 L CA -0.417 54.384 54.840 -0.065 0.000 0.815 1213 L CB 1.655 43.669 42.059 -0.074 0.000 1.247 1213 L HN 0.931 nan 8.230 nan 0.000 0.421 1214 Q N 4.795 124.516 119.800 -0.132 0.000 2.356 1214 Q HA 0.598 4.939 4.340 0.001 0.000 0.270 1214 Q C -1.972 173.999 176.000 -0.048 0.000 1.058 1214 Q CA -0.725 55.055 55.803 -0.039 0.000 0.802 1214 Q CB 2.150 30.870 28.738 -0.030 0.000 1.303 1214 Q HN 0.684 nan 8.270 nan 0.000 0.444 1215 L N 4.030 125.286 121.223 0.054 0.000 2.377 1215 L HA 0.559 4.899 4.340 0.001 0.000 0.270 1215 L C -0.665 176.271 176.870 0.109 0.000 0.991 1215 L CA -0.561 54.330 54.840 0.085 0.000 0.851 1215 L CB 1.669 43.816 42.059 0.146 0.000 1.218 1215 L HN 0.525 nan 8.230 nan 0.000 0.420 1216 R N 1.972 122.511 120.500 0.065 0.000 2.220 1216 R HA 0.367 4.708 4.340 0.001 0.000 0.340 1216 R C 0.628 176.965 176.300 0.063 0.000 1.076 1216 R CA -0.352 55.779 56.100 0.051 0.000 0.920 1216 R CB 1.166 31.482 30.300 0.027 0.000 1.062 1216 R HN 0.717 nan 8.270 nan 0.000 0.469 1217 G N 0.880 109.721 108.800 0.069 0.000 2.594 1217 G HA2 -0.098 3.863 3.960 0.001 0.000 0.243 1217 G HA3 -0.098 3.863 3.960 0.001 0.000 0.243 1217 G C 0.604 175.528 174.900 0.040 0.000 1.229 1217 G CA -0.395 44.745 45.100 0.066 0.000 0.843 1217 G HN 0.613 nan 8.290 nan 0.000 0.578 1218 E N 0.532 120.754 120.200 0.037 0.000 2.204 1218 E HA -0.162 4.189 4.350 0.001 0.000 0.195 1218 E C 1.858 178.467 176.600 0.016 0.000 0.990 1218 E CA 1.556 57.971 56.400 0.025 0.000 0.821 1218 E CB -0.054 29.660 29.700 0.023 0.000 0.750 1218 E HN 0.666 nan 8.360 nan 0.000 0.477 1219 D N -1.506 118.903 120.400 0.016 0.000 2.347 1219 D HA 0.011 4.652 4.640 0.001 0.000 0.215 1219 D C 1.356 177.655 176.300 -0.002 0.000 0.976 1219 D CA 1.126 55.130 54.000 0.007 0.000 0.884 1219 D CB -0.107 40.697 40.800 0.007 0.000 0.915 1219 D HN 0.254 nan 8.370 nan 0.000 0.526 1220 G N -0.444 108.355 108.800 -0.002 0.000 2.184 1220 G HA2 -0.213 3.747 3.960 0.001 0.000 0.206 1220 G HA3 -0.213 3.747 3.960 0.001 0.000 0.206 1220 G C 0.333 175.216 174.900 -0.028 0.000 0.995 1220 G CA 0.169 45.262 45.100 -0.012 0.000 0.651 1220 G HN 0.796 nan 8.290 nan 0.000 0.511 1221 S N -0.717 114.964 115.700 -0.033 0.000 2.632 1221 S HA 0.785 5.256 4.470 0.001 0.000 0.267 1221 S C -0.161 174.402 174.600 -0.061 0.000 1.276 1221 S CA -0.171 57.983 58.200 -0.077 0.000 0.998 1221 S CB 2.634 65.771 63.200 -0.104 0.000 0.953 1221 S HN 1.149 nan 8.310 nan 0.000 0.547 1222 V N 1.229 121.072 119.914 -0.118 0.000 2.569 1222 V HA 0.358 4.478 4.120 0.001 0.000 0.301 1222 V C -1.467 174.575 176.094 -0.086 0.000 1.044 1222 V CA -0.626 61.643 62.300 -0.051 0.000 0.874 1222 V CB 1.235 33.038 31.823 -0.035 0.000 1.002 1222 V HN 1.020 nan 8.190 nan 0.000 0.424 1223 W N 4.137 125.437 121.300 0.001 0.000 2.291 1223 W HA 0.487 5.148 4.660 0.001 0.000 0.312 1223 W C 0.462 176.990 176.519 0.015 0.000 1.061 1223 W CA -0.078 57.274 57.345 0.011 0.000 1.296 1223 W CB 1.101 30.569 29.460 0.013 0.000 1.223 1223 W HN 0.472 nan 8.180 nan 0.000 0.421 1224 N N 2.424 121.291 118.700 0.278 0.000 2.492 1224 N HA 0.266 5.007 4.740 0.001 0.000 0.289 1224 N C -1.709 173.959 175.510 0.263 0.000 1.133 1224 N CA -0.481 52.681 53.050 0.186 0.000 0.961 1224 N CB 1.553 40.092 38.487 0.086 0.000 1.186 1224 N HN 0.409 nan 8.380 nan 0.000 0.493 1225 Y N 1.053 121.381 120.300 0.048 0.000 2.315 1225 Y HA 0.284 4.834 4.550 0.001 0.000 0.324 1225 Y C -0.892 175.014 175.900 0.011 0.000 1.062 1225 Y CA -0.822 57.295 58.100 0.028 0.000 1.159 1225 Y CB 0.834 39.283 38.460 -0.018 0.000 1.145 1225 Y HN 0.350 nan 8.280 nan 0.000 0.442 1226 K N 7.994 128.010 120.400 -0.639 0.000 2.185 1226 K HA 0.601 4.922 4.320 0.001 0.000 0.269 1226 K C -2.789 173.330 176.600 -0.801 0.000 0.987 1226 K CA -1.916 54.056 56.287 -0.524 0.000 0.865 1226 K CB 1.268 33.617 32.500 -0.251 0.000 1.090 1226 K HN 0.405 nan 8.250 nan 0.000 0.450 1227 P HA 0.243 nan 4.420 nan 0.000 0.274 1227 P C -2.424 174.766 177.300 -0.183 0.000 1.256 1227 P CA -1.037 61.874 63.100 -0.315 0.000 0.795 1227 P CB 0.185 31.830 31.700 -0.091 0.000 1.038 1228 P HA 0.280 nan 4.420 nan 0.000 0.327 1228 P C -0.938 176.325 177.300 -0.061 0.000 1.342 1228 P CA -0.136 62.923 63.100 -0.068 0.000 0.761 1228 P CB 0.038 31.712 31.700 -0.042 0.000 1.675 1229 A N -0.982 121.809 122.820 -0.048 0.000 2.386 1229 A HA 0.390 4.711 4.320 0.001 0.000 0.308 1229 A C -0.722 176.836 177.584 -0.043 0.000 1.128 1229 A CA -0.469 51.544 52.037 -0.041 0.000 0.789 1229 A CB 0.578 19.558 19.000 -0.032 0.000 1.325 1229 A HN 0.462 nan 8.150 nan 0.000 0.437 1230 D N 0.966 121.343 120.400 -0.038 0.000 2.371 1230 D HA 0.442 5.083 4.640 0.001 0.000 0.256 1230 D C -0.018 176.264 176.300 -0.031 0.000 1.193 1230 D CA 1.661 55.637 54.000 -0.040 0.000 0.881 1230 D CB 0.260 41.043 40.800 -0.029 0.000 1.143 1230 D HN 0.949 nan 8.370 nan 0.000 0.473 1231 S N 0.988 116.666 115.700 -0.036 0.000 2.664 1231 S HA 0.349 4.820 4.470 0.001 0.000 0.271 1231 S C 0.842 175.420 174.600 -0.037 0.000 0.950 1231 S CA -0.143 58.039 58.200 -0.031 0.000 1.008 1231 S CB -0.005 63.179 63.200 -0.027 0.000 1.279 1231 S HN 0.801 nan 8.310 nan 0.000 0.462 1232 G N 0.053 108.829 108.800 -0.039 0.000 2.562 1232 G HA2 0.208 4.168 3.960 0.001 0.000 0.241 1232 G HA3 0.208 4.168 3.960 0.001 0.000 0.241 1232 G C 1.252 176.119 174.900 -0.055 0.000 1.120 1232 G CA 1.580 46.656 45.100 -0.040 0.000 0.673 1232 G HN 2.810 nan 8.290 nan 0.000 0.519 1233 G N -0.069 108.700 108.800 -0.051 0.000 2.130 1233 G HA2 0.321 4.282 3.960 0.001 0.000 0.151 1233 G HA3 0.321 4.282 3.960 0.001 0.000 0.151 1233 G C 0.668 175.596 174.900 0.048 0.000 1.173 1233 G CA 0.823 45.889 45.100 -0.056 0.000 1.278 1233 G HN 1.495 nan 8.290 nan 0.000 0.479 1234 K N 1.518 121.998 120.400 0.133 0.000 2.664 1234 K HA 0.057 4.378 4.320 0.001 0.000 0.193 1234 K C 0.920 177.399 176.600 -0.201 0.000 1.028 1234 K CA 1.405 57.731 56.287 0.065 0.000 1.005 1234 K CB -0.008 32.733 32.500 0.402 0.000 0.815 1234 K HN 0.373 nan 8.250 nan 0.000 0.496 1235 E N 1.075 121.188 120.200 -0.144 0.000 2.482 1235 E HA -0.020 4.330 4.350 0.001 0.000 0.200 1235 E C 0.881 177.354 176.600 -0.211 0.000 1.147 1235 E CA 0.360 56.686 56.400 -0.123 0.000 0.912 1235 E CB -0.500 29.160 29.700 -0.066 0.000 0.938 1235 E HN 0.714 nan 8.360 nan 0.000 0.519 1236 I N -4.576 115.709 120.570 -0.475 0.000 3.658 1236 I HA 0.310 4.481 4.170 0.001 0.000 0.328 1236 I C 0.072 175.873 176.117 -0.527 0.000 1.567 1236 I CA -0.118 60.895 61.300 -0.478 0.000 1.078 1236 I CB -0.030 37.676 38.000 -0.489 0.000 1.267 1236 I HN -0.115 nan 8.210 nan 0.000 0.495 1237 F N 0.456 120.284 119.950 -0.204 0.000 2.798 1237 F HA 0.137 4.664 4.527 0.001 0.000 0.328 1237 F C 2.286 177.973 175.800 -0.190 0.000 1.098 1237 F CA -0.008 57.779 58.000 -0.354 0.000 1.172 1237 F CB 0.693 39.171 39.000 -0.870 0.000 1.072 1237 F HN 0.183 nan 8.300 nan 0.000 0.555 1238 S N 0.393 116.134 115.700 0.067 0.000 2.584 1238 S HA -0.120 4.350 4.470 0.001 0.000 0.240 1238 S C 1.215 175.860 174.600 0.075 0.000 0.975 1238 S CA 0.872 59.127 58.200 0.093 0.000 0.949 1238 S CB -0.159 63.118 63.200 0.128 0.000 0.761 1238 S HN 0.362 nan 8.310 nan 0.000 0.536 1239 L N -0.269 121.000 121.223 0.077 0.000 3.086 1239 L HA 0.553 4.894 4.340 0.001 0.000 0.274 1239 L C 1.321 178.242 176.870 0.085 0.000 1.184 1239 L CA 0.274 55.169 54.840 0.091 0.000 1.002 1239 L CB -0.165 41.977 42.059 0.138 0.000 1.383 1239 L HN 0.249 nan 8.230 nan 0.000 0.582 1240 L N 0.304 121.524 121.223 -0.005 0.000 2.056 1240 L HA -0.062 4.279 4.340 0.001 0.000 0.207 1240 L C -0.463 176.456 176.870 0.082 0.000 1.078 1240 L CA 1.148 55.903 54.840 -0.143 0.000 0.749 1240 L CB -1.330 40.387 42.059 -0.570 0.000 0.901 1240 L HN 0.214 nan 8.230 nan 0.000 0.433 1241 P HA -0.158 nan 4.420 nan 0.000 0.223 1241 P C 1.124 178.554 177.300 0.216 0.000 1.151 1241 P CA 1.287 64.520 63.100 0.222 0.000 0.787 1241 P CB 0.045 31.859 31.700 0.190 0.000 0.788 1242 H N -0.970 118.177 119.070 0.128 0.000 2.372 1242 H HA 0.038 4.594 4.556 0.001 0.000 0.301 1242 H C 1.860 177.270 175.328 0.138 0.000 1.065 1242 H CA 1.422 57.558 56.048 0.146 0.000 1.364 1242 H CB -0.474 29.350 29.762 0.102 0.000 1.406 1242 H HN -0.185 nan 8.280 nan 0.000 0.521 1243 M N 0.396 120.037 119.600 0.069 0.000 2.213 1243 M HA -0.071 4.410 4.480 0.001 0.000 0.263 1243 M C 2.485 178.781 176.300 -0.006 0.000 1.062 1243 M CA 1.324 56.599 55.300 -0.041 0.000 1.105 1243 M CB -1.191 31.398 32.600 -0.019 0.000 1.385 1243 M HN 0.522 nan 8.290 nan 0.000 0.417 1244 A N 0.480 123.378 122.820 0.129 0.000 1.877 1244 A HA -0.167 4.153 4.320 0.001 0.000 0.216 1244 A C 1.850 179.513 177.584 0.133 0.000 1.186 1244 A CA 1.838 53.992 52.037 0.195 0.000 0.620 1244 A CB -0.622 18.551 19.000 0.289 0.000 0.822 1244 A HN 0.405 nan 8.150 nan 0.000 0.443 1245 D N -1.019 119.457 120.400 0.127 0.000 2.178 1245 D HA -0.105 4.535 4.640 0.001 0.000 0.202 1245 D C 1.793 178.224 176.300 0.218 0.000 0.974 1245 D CA 1.537 55.670 54.000 0.222 0.000 0.841 1245 D CB -0.289 40.686 40.800 0.291 0.000 0.953 1245 D HN 0.438 nan 8.370 nan 0.000 0.478 1246 M N 0.760 120.333 119.600 -0.045 0.000 2.098 1246 M HA -0.071 4.410 4.480 0.001 0.000 0.262 1246 M C 2.041 178.229 176.300 -0.187 0.000 1.072 1246 M CA 1.393 56.500 55.300 -0.323 0.000 1.133 1246 M CB -0.445 31.907 32.600 -0.414 0.000 1.344 1246 M HN -0.236 nan 8.290 nan 0.000 0.414 1247 S N -0.004 115.581 115.700 -0.191 0.000 2.365 1247 S HA -0.182 4.288 4.470 0.001 0.000 0.225 1247 S C 1.859 176.200 174.600 -0.432 0.000 1.039 1247 S CA 2.050 60.003 58.200 -0.412 0.000 1.033 1247 S CB -0.957 62.076 63.200 -0.279 0.000 0.887 1247 S HN 0.656 nan 8.310 nan 0.000 0.447 1248 T N 0.712 115.255 114.554 -0.017 0.000 2.759 1248 T HA -0.133 4.218 4.350 0.001 0.000 0.269 1248 T C 1.512 176.309 174.700 0.162 0.000 1.042 1248 T CA 1.494 63.704 62.100 0.183 0.000 1.140 1248 T CB -0.430 68.575 68.868 0.229 0.000 0.864 1248 T HN 0.514 nan 8.240 nan 0.000 0.455 1249 Y N 1.643 121.940 120.300 -0.005 0.000 2.114 1249 Y HA -0.144 4.407 4.550 0.001 0.000 0.284 1249 Y C 2.339 178.178 175.900 -0.101 0.000 1.143 1249 Y CA 1.321 59.416 58.100 -0.009 0.000 1.135 1249 Y CB -0.324 38.072 38.460 -0.107 0.000 0.980 1249 Y HN 0.007 nan 8.280 nan 0.000 0.499 1250 M N -0.559 118.976 119.600 -0.109 0.000 2.080 1250 M HA -0.257 4.224 4.480 0.001 0.000 0.260 1250 M C 2.291 178.491 176.300 -0.165 0.000 1.068 1250 M CA 1.676 56.816 55.300 -0.266 0.000 1.109 1250 M CB -1.749 30.657 32.600 -0.324 0.000 1.342 1250 M HN 0.387 nan 8.290 nan 0.000 0.405 1251 F N 0.567 120.455 119.950 -0.105 0.000 2.161 1251 F HA -0.266 4.261 4.527 0.001 0.000 0.300 1251 F C 2.450 178.171 175.800 -0.131 0.000 1.089 1251 F CA 0.796 58.733 58.000 -0.106 0.000 1.282 1251 F CB -0.337 38.639 39.000 -0.041 0.000 1.010 1251 F HN 0.215 nan 8.300 nan 0.000 0.485 1252 K N 0.129 120.561 120.400 0.053 0.000 2.097 1252 K HA -0.101 4.219 4.320 0.001 0.000 0.205 1252 K C 2.338 178.871 176.600 -0.111 0.000 1.050 1252 K CA 1.110 57.376 56.287 -0.036 0.000 0.938 1252 K CB -0.627 31.836 32.500 -0.061 0.000 0.718 1252 K HN 0.291 nan 8.250 nan 0.000 0.442 1253 G N 1.410 110.084 108.800 -0.210 0.000 2.402 1253 G HA2 -0.188 3.773 3.960 0.001 0.000 0.216 1253 G HA3 -0.188 3.773 3.960 0.001 0.000 0.216 1253 G C 1.397 176.223 174.900 -0.124 0.000 1.162 1253 G CA 0.402 45.377 45.100 -0.207 0.000 0.777 1253 G HN 0.059 nan 8.290 nan 0.000 0.539 1254 I N 1.133 121.624 120.570 -0.132 0.000 2.264 1254 I HA -0.110 4.061 4.170 0.001 0.000 0.248 1254 I C 2.716 178.799 176.117 -0.056 0.000 1.111 1254 I CA 0.895 62.130 61.300 -0.107 0.000 1.382 1254 I CB -0.854 37.088 38.000 -0.097 0.000 1.060 1254 I HN 0.209 nan 8.210 nan 0.000 0.418 1255 I N 0.363 120.890 120.570 -0.072 0.000 2.202 1255 I HA -0.237 3.933 4.170 0.001 0.000 0.242 1255 I C 2.600 178.671 176.117 -0.076 0.000 1.091 1255 I CA 1.037 62.282 61.300 -0.092 0.000 1.368 1255 I CB -0.413 37.554 38.000 -0.056 0.000 1.058 1255 I HN 0.085 nan 8.210 nan 0.000 0.410 1256 S N 1.027 116.699 115.700 -0.045 0.000 2.374 1256 S HA -0.245 4.226 4.470 0.001 0.000 0.227 1256 S C 1.896 176.481 174.600 -0.025 0.000 1.037 1256 S CA 1.713 59.894 58.200 -0.032 0.000 1.024 1256 S CB -0.620 62.561 63.200 -0.032 0.000 0.861 1256 S HN 0.430 nan 8.310 nan 0.000 0.456 1257 F N 2.693 122.548 119.950 -0.158 0.000 2.069 1257 F HA -0.169 4.358 4.527 0.001 0.000 0.298 1257 F C 2.365 178.044 175.800 -0.202 0.000 1.113 1257 F CA 1.156 59.058 58.000 -0.163 0.000 1.214 1257 F CB -0.936 37.945 39.000 -0.199 0.000 0.978 1257 F HN 0.170 nan 8.300 nan 0.000 0.474 1258 A N 0.513 123.106 122.820 -0.379 0.000 1.865 1258 A HA -0.236 4.084 4.320 0.001 0.000 0.217 1258 A C 2.306 179.652 177.584 -0.396 0.000 1.191 1258 A CA 1.995 53.565 52.037 -0.779 0.000 0.623 1258 A CB -0.872 17.361 19.000 -1.278 0.000 0.826 1258 A HN 0.463 nan 8.150 nan 0.000 0.444 1259 K N -0.397 119.912 120.400 -0.152 0.000 2.113 1259 K HA -0.148 4.173 4.320 0.001 0.000 0.208 1259 K C 1.755 178.358 176.600 0.006 0.000 1.047 1259 K CA 1.788 58.103 56.287 0.048 0.000 0.928 1259 K CB -0.471 32.044 32.500 0.025 0.000 0.716 1259 K HN 0.596 nan 8.250 nan 0.000 0.446 1260 V N -0.846 119.011 119.914 -0.095 0.000 3.573 1260 V HA 0.141 4.262 4.120 0.001 0.000 0.270 1260 V C 0.789 176.812 176.094 -0.119 0.000 1.221 1260 V CA 0.241 62.486 62.300 -0.092 0.000 1.163 1260 V CB -0.542 31.224 31.823 -0.095 0.000 0.847 1260 V HN 0.047 nan 8.190 nan 0.000 0.468 1261 I N 2.288 122.777 120.570 -0.135 0.000 2.395 1261 I HA 0.228 4.399 4.170 0.001 0.000 0.289 1261 I C 1.818 177.934 176.117 -0.002 0.000 1.023 1261 I CA 0.348 61.583 61.300 -0.109 0.000 1.350 1261 I CB 1.786 39.739 38.000 -0.078 0.000 1.409 1261 I HN 0.310 nan 8.210 nan 0.000 0.507 1262 S N 5.500 121.123 115.700 -0.128 0.000 2.356 1262 S HA -0.230 4.241 4.470 0.001 0.000 0.223 1262 S C 1.797 176.446 174.600 0.081 0.000 1.032 1262 S CA 1.089 59.242 58.200 -0.078 0.000 1.005 1262 S CB -0.670 62.422 63.200 -0.181 0.000 0.867 1262 S HN 0.684 nan 8.310 nan 0.000 0.449 1263 Y N 0.114 120.483 120.300 0.115 0.000 2.256 1263 Y HA -0.108 4.443 4.550 0.001 0.000 0.288 1263 Y C 2.323 178.389 175.900 0.278 0.000 1.155 1263 Y CA 0.946 59.112 58.100 0.111 0.000 1.203 1263 Y CB -0.386 38.060 38.460 -0.024 0.000 0.980 1263 Y HN 0.328 nan 8.280 nan 0.000 0.530 1264 F N 0.886 121.072 119.950 0.393 0.000 2.149 1264 F HA -0.056 4.471 4.527 0.001 0.000 0.294 1264 F C 2.331 178.216 175.800 0.142 0.000 1.095 1264 F CA 1.066 59.261 58.000 0.325 0.000 1.276 1264 F CB -0.307 38.803 39.000 0.182 0.000 1.023 1264 F HN -0.244 nan 8.300 nan 0.000 0.480 1265 R N 0.378 120.958 120.500 0.133 0.000 2.105 1265 R HA -0.180 4.161 4.340 0.001 0.000 0.239 1265 R C 1.705 177.964 176.300 -0.069 0.000 1.135 1265 R CA 1.643 57.744 56.100 0.001 0.000 0.967 1265 R CB -0.648 29.684 30.300 0.054 0.000 0.861 1265 R HN 0.351 nan 8.270 nan 0.000 0.442 1266 D N 0.723 121.116 120.400 -0.013 0.000 2.218 1266 D HA -0.068 4.572 4.640 0.001 0.000 0.204 1266 D C 0.887 177.144 176.300 -0.072 0.000 0.976 1266 D CA 0.698 54.686 54.000 -0.019 0.000 0.853 1266 D CB -0.078 40.742 40.800 0.033 0.000 0.939 1266 D HN 0.166 nan 8.370 nan 0.000 0.481 1267 L N 1.185 122.326 121.223 -0.137 0.000 2.482 1267 L HA 0.098 4.439 4.340 0.001 0.000 0.273 1267 L C -2.011 174.749 176.870 -0.183 0.000 1.228 1267 L CA -1.417 53.320 54.840 -0.172 0.000 0.827 1267 L CB -0.411 41.484 42.059 -0.274 0.000 1.099 1267 L HN -0.270 nan 8.230 nan 0.000 0.494 1268 P HA 0.045 nan 4.420 nan 0.000 0.271 1268 P C 0.670 177.895 177.300 -0.124 0.000 1.220 1268 P CA -0.231 62.806 63.100 -0.106 0.000 0.768 1268 P CB 0.662 32.317 31.700 -0.074 0.000 0.848 1269 I N 3.046 123.556 120.570 -0.100 0.000 2.450 1269 I HA -0.331 3.840 4.170 0.001 0.000 0.260 1269 I C 1.541 177.616 176.117 -0.069 0.000 1.145 1269 I CA 1.966 63.215 61.300 -0.084 0.000 1.413 1269 I CB -0.169 37.800 38.000 -0.052 0.000 1.090 1269 I HN 0.383 nan 8.210 nan 0.000 0.445 1270 E N 0.232 120.394 120.200 -0.063 0.000 2.014 1270 E HA -0.145 4.205 4.350 0.001 0.000 0.190 1270 E C 1.898 178.470 176.600 -0.047 0.000 0.980 1270 E CA 1.460 57.833 56.400 -0.046 0.000 0.807 1270 E CB -0.413 29.265 29.700 -0.036 0.000 0.770 1270 E HN 0.407 nan 8.360 nan 0.000 0.451 1271 D N 0.562 120.928 120.400 -0.057 0.000 2.265 1271 D HA -0.162 4.479 4.640 0.001 0.000 0.208 1271 D C 1.754 178.020 176.300 -0.056 0.000 0.977 1271 D CA 0.815 54.788 54.000 -0.045 0.000 0.871 1271 D CB -0.125 40.648 40.800 -0.045 0.000 0.925 1271 D HN 0.274 nan 8.370 nan 0.000 0.485 1272 Q N -0.156 119.564 119.800 -0.133 0.000 2.046 1272 Q HA -0.035 4.306 4.340 0.001 0.000 0.200 1272 Q C 2.450 178.516 176.000 0.110 0.000 0.975 1272 Q CA 0.653 56.389 55.803 -0.112 0.000 0.836 1272 Q CB 0.068 28.640 28.738 -0.277 0.000 0.896 1272 Q HN 0.362 nan 8.270 nan 0.000 0.428 1273 I N 0.207 120.788 120.570 0.019 0.000 2.286 1273 I HA -0.259 3.912 4.170 0.001 0.000 0.248 1273 I C 2.603 178.712 176.117 -0.014 0.000 1.115 1273 I CA 0.820 62.121 61.300 0.002 0.000 1.392 1273 I CB -0.299 37.688 38.000 -0.022 0.000 1.065 1273 I HN 0.167 nan 8.210 nan 0.000 0.418 1274 S N 1.049 116.743 115.700 -0.009 0.000 2.356 1274 S HA -0.109 4.362 4.470 0.001 0.000 0.223 1274 S C 2.046 176.639 174.600 -0.012 0.000 1.032 1274 S CA 1.234 59.425 58.200 -0.015 0.000 1.005 1274 S CB -0.198 63.000 63.200 -0.005 0.000 0.867 1274 S HN 0.313 nan 8.310 nan 0.000 0.449 1275 L N 0.802 122.040 121.223 0.025 0.000 2.056 1275 L HA -0.021 4.320 4.340 0.001 0.000 0.207 1275 L C 2.485 179.326 176.870 -0.048 0.000 1.078 1275 L CA 0.976 55.825 54.840 0.016 0.000 0.749 1275 L CB -0.560 41.552 42.059 0.088 0.000 0.901 1275 L HN 0.324 nan 8.230 nan 0.000 0.433 1276 L N 0.053 121.258 121.223 -0.031 0.000 2.083 1276 L HA -0.220 4.121 4.340 0.001 0.000 0.209 1276 L C 2.536 179.291 176.870 -0.193 0.000 1.083 1276 L CA 1.276 56.037 54.840 -0.131 0.000 0.752 1276 L CB -0.386 41.614 42.059 -0.098 0.000 0.899 1276 L HN 0.249 nan 8.230 nan 0.000 0.433 1277 K N -0.065 120.239 120.400 -0.160 0.000 2.515 1277 K HA -0.088 4.233 4.320 0.001 0.000 0.196 1277 K C 1.526 178.010 176.600 -0.194 0.000 1.038 1277 K CA 0.906 57.067 56.287 -0.209 0.000 0.967 1277 K CB 0.076 32.489 32.500 -0.145 0.000 0.780 1277 K HN 0.353 nan 8.250 nan 0.000 0.483 1278 G N -1.335 107.380 108.800 -0.141 0.000 2.833 1278 G HA2 0.154 4.115 3.960 0.001 0.000 0.214 1278 G HA3 0.154 4.115 3.960 0.001 0.000 0.214 1278 G C 0.920 175.770 174.900 -0.083 0.000 1.075 1278 G CA 0.342 45.383 45.100 -0.099 0.000 0.799 1278 G HN 0.245 nan 8.290 nan 0.000 0.541 1279 A N 0.270 123.022 122.820 -0.112 0.000 2.211 1279 A HA 0.708 5.029 4.320 0.001 0.000 0.208 1279 A C 2.433 179.958 177.584 -0.098 0.000 1.250 1279 A CA 1.437 53.420 52.037 -0.091 0.000 0.935 1279 A CB -0.244 18.689 19.000 -0.112 0.000 0.982 1279 A HN 0.665 nan 8.150 nan 0.000 0.490 1280 A N 0.381 123.096 122.820 -0.175 0.000 1.883 1280 A HA -0.308 4.013 4.320 0.001 0.000 0.222 1280 A C 1.946 179.587 177.584 0.095 0.000 1.339 1280 A CA 2.246 54.173 52.037 -0.183 0.000 0.692 1280 A CB -1.252 17.357 19.000 -0.652 0.000 0.845 1280 A HN 0.988 nan 8.150 nan 0.000 0.467 1281 F N 1.069 121.015 119.950 -0.005 0.000 2.091 1281 F HA -0.226 4.301 4.527 0.001 0.000 0.299 1281 F C 2.332 178.127 175.800 -0.008 0.000 1.103 1281 F CA 2.492 60.560 58.000 0.113 0.000 1.228 1281 F CB -0.464 38.564 39.000 0.048 0.000 0.984 1281 F HN 0.473 nan 8.300 nan 0.000 0.477 1282 E N 0.134 120.309 120.200 -0.041 0.000 2.058 1282 E HA -0.230 4.121 4.350 0.001 0.000 0.194 1282 E C 2.363 178.845 176.600 -0.198 0.000 0.997 1282 E CA 1.317 57.622 56.400 -0.158 0.000 0.801 1282 E CB -0.434 29.234 29.700 -0.053 0.000 0.746 1282 E HN 0.376 nan 8.360 nan 0.000 0.450 1283 L N 0.823 121.945 121.223 -0.168 0.000 2.131 1283 L HA -0.150 4.191 4.340 0.001 0.000 0.210 1283 L C 2.569 179.271 176.870 -0.281 0.000 1.092 1283 L CA 1.178 55.880 54.840 -0.229 0.000 0.759 1283 L CB -0.763 41.151 42.059 -0.241 0.000 0.903 1283 L HN 0.169 nan 8.230 nan 0.000 0.435 1284 S N -0.939 114.620 115.700 -0.236 0.000 2.368 1284 S HA -0.169 4.302 4.470 0.001 0.000 0.224 1284 S C 1.863 176.373 174.600 -0.149 0.000 1.029 1284 S CA 0.989 59.043 58.200 -0.242 0.000 0.988 1284 S CB 0.127 63.232 63.200 -0.159 0.000 0.838 1284 S HN 0.427 nan 8.310 nan 0.000 0.462 1285 Q N 0.850 120.489 119.800 -0.268 0.000 2.119 1285 Q HA 0.050 4.391 4.340 0.001 0.000 0.201 1285 Q C 2.277 178.314 176.000 0.062 0.000 0.972 1285 Q CA 0.885 56.621 55.803 -0.112 0.000 0.847 1285 Q CB -0.664 27.857 28.738 -0.362 0.000 0.903 1285 Q HN 0.525 nan 8.270 nan 0.000 0.433 1286 L N 0.102 121.311 121.223 -0.023 0.000 2.046 1286 L HA -0.190 4.150 4.340 0.001 0.000 0.208 1286 L C 2.650 179.508 176.870 -0.020 0.000 1.077 1286 L CA 1.316 56.197 54.840 0.069 0.000 0.747 1286 L CB -0.339 41.717 42.059 -0.004 0.000 0.896 1286 L HN 0.177 nan 8.230 nan 0.000 0.432 1287 R N -0.807 119.533 120.500 -0.266 0.000 2.075 1287 R HA -0.104 4.237 4.340 0.001 0.000 0.232 1287 R C 2.315 178.512 176.300 -0.171 0.000 1.126 1287 R CA 1.353 57.148 56.100 -0.508 0.000 0.963 1287 R CB -0.363 29.272 30.300 -1.108 0.000 0.858 1287 R HN 0.212 nan 8.270 nan 0.000 0.435 1288 F N 0.899 120.841 119.950 -0.014 0.000 2.216 1288 F HA -0.173 4.355 4.527 0.001 0.000 0.300 1288 F C 2.142 178.163 175.800 0.368 0.000 1.085 1288 F CA 1.048 59.132 58.000 0.140 0.000 1.326 1288 F CB -0.201 38.726 39.000 -0.121 0.000 1.027 1288 F HN 0.085 nan 8.300 nan 0.000 0.497 1289 N N -0.104 118.928 118.700 0.553 0.000 2.289 1289 N HA -0.172 4.568 4.740 0.001 0.000 0.184 1289 N C 1.761 177.471 175.510 0.333 0.000 1.016 1289 N CA 1.759 55.143 53.050 0.557 0.000 0.872 1289 N CB -0.182 38.582 38.487 0.463 0.000 0.973 1289 N HN 0.265 nan 8.380 nan 0.000 0.433 1290 T N -2.963 111.645 114.554 0.091 0.000 3.055 1290 T HA -0.034 4.317 4.350 0.001 0.000 0.265 1290 T C 1.498 176.280 174.700 0.138 0.000 1.111 1290 T CA 1.049 63.104 62.100 -0.074 0.000 1.118 1290 T CB -0.350 68.344 68.868 -0.290 0.000 0.909 1290 T HN 0.067 nan 8.240 nan 0.000 0.501 1291 V N -2.674 117.427 119.914 0.312 0.000 3.483 1291 V HA 0.510 4.630 4.120 0.001 0.000 0.301 1291 V C 0.239 176.547 176.094 0.357 0.000 1.389 1291 V CA -1.165 61.327 62.300 0.320 0.000 1.101 1291 V CB -1.255 30.807 31.823 0.399 0.000 0.971 1291 V HN 0.310 nan 8.190 nan 0.000 0.434 1292 F N 3.071 123.110 119.950 0.148 0.000 2.420 1292 F HA 0.558 5.085 4.527 0.001 0.000 0.352 1292 F C 0.291 175.966 175.800 -0.208 0.000 1.108 1292 F CA -1.103 56.780 58.000 -0.194 0.000 1.162 1292 F CB 0.804 39.578 39.000 -0.376 0.000 1.118 1292 F HN 0.096 nan 8.300 nan 0.000 0.510 1293 N N 4.814 123.025 118.700 -0.816 0.000 2.462 1293 N HA 0.269 5.010 4.740 0.001 0.000 0.242 1293 N C 0.375 175.183 175.510 -1.169 0.000 1.010 1293 N CA 0.296 52.936 53.050 -0.684 0.000 0.939 1293 N CB 1.552 39.792 38.487 -0.412 0.000 1.127 1293 N HN 0.818 nan 8.380 nan 0.000 0.509 1294 A N 3.926 126.269 122.820 -0.796 0.000 2.067 1294 A HA -0.022 4.298 4.320 0.001 0.000 0.217 1294 A C 1.760 179.271 177.584 -0.123 0.000 1.156 1294 A CA 0.797 52.502 52.037 -0.555 0.000 0.683 1294 A CB -0.077 18.869 19.000 -0.090 0.000 0.808 1294 A HN 0.734 nan 8.150 nan 0.000 0.455 1295 E N -0.181 119.927 120.200 -0.152 0.000 2.031 1295 E HA -0.151 4.200 4.350 0.001 0.000 0.193 1295 E C 2.007 178.573 176.600 -0.057 0.000 0.994 1295 E CA 1.925 58.289 56.400 -0.059 0.000 0.800 1295 E CB -0.398 29.256 29.700 -0.076 0.000 0.752 1295 E HN 0.766 nan 8.360 nan 0.000 0.447 1296 T N -3.014 111.449 114.554 -0.152 0.000 3.086 1296 T HA 0.289 4.640 4.350 0.001 0.000 0.250 1296 T C 1.317 175.925 174.700 -0.153 0.000 1.074 1296 T CA 0.523 62.551 62.100 -0.120 0.000 0.988 1296 T CB 0.511 69.305 68.868 -0.124 0.000 0.988 1296 T HN 0.258 nan 8.240 nan 0.000 0.530 1297 G N 1.718 110.337 108.800 -0.302 0.000 2.273 1297 G HA2 -0.193 3.768 3.960 0.001 0.000 0.280 1297 G HA3 -0.193 3.768 3.960 0.001 0.000 0.280 1297 G C 0.125 174.813 174.900 -0.354 0.000 1.047 1297 G CA 0.620 45.534 45.100 -0.310 0.000 0.869 1297 G HN 1.304 nan 8.290 nan 0.000 0.502 1298 T N -2.443 111.780 114.554 -0.551 0.000 2.906 1298 T HA 0.603 4.953 4.350 0.001 0.000 0.295 1298 T C -0.397 174.163 174.700 -0.234 0.000 1.061 1298 T CA -0.933 61.021 62.100 -0.243 0.000 1.000 1298 T CB 1.564 70.392 68.868 -0.068 0.000 1.103 1298 T HN 0.432 nan 8.240 nan 0.000 0.486 1299 W N 2.986 124.425 121.300 0.232 0.000 2.311 1299 W HA 0.319 4.980 4.660 0.001 0.000 0.317 1299 W C -0.047 176.562 176.519 0.149 0.000 1.065 1299 W CA -0.632 56.865 57.345 0.253 0.000 1.364 1299 W CB 0.481 30.070 29.460 0.215 0.000 1.233 1299 W HN 0.779 nan 8.180 nan 0.000 0.409 1300 E N 2.468 122.814 120.200 0.243 0.000 1.932 1300 E HA 0.123 4.474 4.350 0.001 0.000 0.275 1300 E C -0.145 176.520 176.600 0.109 0.000 1.159 1300 E CA -0.029 56.448 56.400 0.127 0.000 0.905 1300 E CB 0.311 30.049 29.700 0.063 0.000 1.059 1300 E HN 0.161 nan 8.360 nan 0.000 0.400 1301 C N 3.831 123.122 119.300 -0.015 0.000 2.541 1301 C HA 0.426 4.887 4.460 0.001 0.000 0.405 1301 C C 1.335 176.236 174.990 -0.148 0.000 1.345 1301 C CA -0.147 58.655 59.018 -0.360 0.000 1.677 1301 C CB -1.453 25.707 27.740 -0.966 0.000 2.361 1301 C HN 1.057 nan 8.230 nan 0.000 0.583 1302 G N 2.569 111.410 108.800 0.069 0.000 2.531 1302 G HA2 -0.247 3.713 3.960 0.001 0.000 0.274 1302 G HA3 -0.247 3.713 3.960 0.001 0.000 0.274 1302 G C 1.134 176.069 174.900 0.058 0.000 1.159 1302 G CA 0.091 45.258 45.100 0.112 0.000 0.969 1302 G HN 0.363 nan 8.290 nan 0.000 0.554 1303 R N -0.032 120.516 120.500 0.079 0.000 2.152 1303 R HA 0.073 4.414 4.340 0.001 0.000 0.232 1303 R C 1.275 177.590 176.300 0.026 0.000 1.117 1303 R CA 0.923 57.060 56.100 0.062 0.000 0.981 1303 R CB -0.956 29.400 30.300 0.094 0.000 0.870 1303 R HN 0.418 nan 8.270 nan 0.000 0.451 1304 L N -0.314 120.904 121.223 -0.009 0.000 2.399 1304 L HA 0.279 4.620 4.340 0.001 0.000 0.265 1304 L C 0.234 176.999 176.870 -0.175 0.000 1.089 1304 L CA 0.124 54.890 54.840 -0.123 0.000 0.802 1304 L CB 1.585 43.556 42.059 -0.146 0.000 1.180 1304 L HN -0.235 nan 8.230 nan 0.000 0.454 1305 S N 0.077 115.583 115.700 -0.323 0.000 2.603 1305 S HA 0.581 5.051 4.470 0.001 0.000 0.274 1305 S C -1.656 172.737 174.600 -0.345 0.000 1.168 1305 S CA -0.504 57.577 58.200 -0.198 0.000 0.963 1305 S CB 0.624 63.780 63.200 -0.073 0.000 1.078 1305 S HN 0.282 nan 8.310 nan 0.000 0.477 1306 Y N 1.427 121.813 120.300 0.142 0.000 2.345 1306 Y HA 0.524 5.074 4.550 0.001 0.000 0.331 1306 Y C 0.286 176.342 175.900 0.261 0.000 0.959 1306 Y CA -0.807 57.411 58.100 0.196 0.000 1.204 1306 Y CB 1.225 39.807 38.460 0.203 0.000 1.135 1306 Y HN 0.626 nan 8.280 nan 0.000 0.477 1307 C N 5.877 125.331 119.300 0.257 0.000 2.351 1307 C HA 0.613 5.073 4.460 0.001 0.000 0.326 1307 C C -0.302 174.792 174.990 0.174 0.000 1.272 1307 C CA -0.930 58.188 59.018 0.166 0.000 1.650 1307 C CB -0.505 27.276 27.740 0.068 0.000 2.257 1307 C HN 0.741 nan 8.230 nan 0.000 0.505 1308 L N 4.993 126.310 121.223 0.156 0.000 2.499 1308 L HA 0.220 4.561 4.340 0.001 0.000 0.281 1308 L C 1.247 178.176 176.870 0.099 0.000 1.234 1308 L CA 1.056 55.988 54.840 0.153 0.000 0.839 1308 L CB 0.264 42.410 42.059 0.146 0.000 1.104 1308 L HN 0.683 nan 8.230 nan 0.000 0.500 1309 E N 1.732 121.983 120.200 0.086 0.000 2.338 1309 E HA 0.019 4.369 4.350 0.001 0.000 0.231 1309 E C -0.265 176.361 176.600 0.045 0.000 1.231 1309 E CA -0.257 56.173 56.400 0.051 0.000 1.490 1309 E CB -0.432 29.289 29.700 0.036 0.000 1.360 1309 E HN 0.525 nan 8.360 nan 0.000 0.435 1310 D N 1.565 121.998 120.400 0.056 0.000 7.704 1310 D HA -0.187 4.454 4.640 0.001 0.000 0.173 1310 D C 0.649 176.971 176.300 0.036 0.000 1.279 1310 D CA 0.606 54.637 54.000 0.051 0.000 0.871 1310 D CB -0.970 39.868 40.800 0.064 0.000 1.624 1310 D HN 0.164 nan 8.370 nan 0.000 0.916 1311 T N -1.390 113.181 114.554 0.028 0.000 3.193 1311 T HA 0.332 4.682 4.350 0.001 0.000 0.407 1311 T C 1.656 176.368 174.700 0.019 0.000 1.146 1311 T CA 0.213 62.325 62.100 0.020 0.000 1.085 1311 T CB 0.130 69.007 68.868 0.016 0.000 1.424 1311 T HN 0.460 nan 8.240 nan 0.000 0.521 1312 A N 1.070 123.898 122.820 0.014 0.000 2.766 1312 A HA 0.055 4.375 4.320 0.001 0.000 0.199 1312 A C 2.655 180.251 177.584 0.019 0.000 1.073 1312 A CA 2.265 54.310 52.037 0.014 0.000 1.016 1312 A CB -1.934 17.072 19.000 0.010 0.000 0.765 1312 A HN 1.585 nan 8.150 nan 0.000 0.562 1313 G N -1.466 107.344 108.800 0.017 0.000 2.743 1313 G HA2 0.207 4.167 3.960 0.001 0.000 0.222 1313 G HA3 0.207 4.167 3.960 0.001 0.000 0.222 1313 G C 1.569 176.490 174.900 0.035 0.000 1.085 1313 G CA 1.729 46.842 45.100 0.022 0.000 0.716 1313 G HN 2.260 nan 8.290 nan 0.000 0.604 1314 G N -0.861 107.962 108.800 0.038 0.000 2.525 1314 G HA2 -0.267 3.693 3.960 0.001 0.000 0.248 1314 G HA3 -0.267 3.693 3.960 0.001 0.000 0.248 1314 G C 0.652 175.597 174.900 0.075 0.000 1.238 1314 G CA 0.341 45.480 45.100 0.066 0.000 0.926 1314 G HN 0.526 nan 8.290 nan 0.000 0.574 1315 F N 1.266 121.186 119.950 -0.050 0.000 2.027 1315 F HA -0.159 4.369 4.527 0.001 0.000 0.297 1315 F C 3.211 178.956 175.800 -0.091 0.000 1.129 1315 F CA 3.081 61.021 58.000 -0.100 0.000 1.195 1315 F CB -0.290 38.638 39.000 -0.120 0.000 0.960 1315 F HN 0.395 nan 8.300 nan 0.000 0.485 1316 Q N 0.209 120.099 119.800 0.150 0.000 2.308 1316 Q HA -0.255 4.086 4.340 0.001 0.000 0.209 1316 Q C 2.152 178.148 176.000 -0.008 0.000 0.985 1316 Q CA 1.617 57.456 55.803 0.061 0.000 0.881 1316 Q CB -0.853 27.930 28.738 0.074 0.000 0.917 1316 Q HN 0.611 nan 8.270 nan 0.000 0.443 1317 Q N 0.790 120.583 119.800 -0.013 0.000 2.083 1317 Q HA -0.093 4.247 4.340 0.001 0.000 0.198 1317 Q C 2.134 178.105 176.000 -0.048 0.000 0.969 1317 Q CA 0.858 56.651 55.803 -0.017 0.000 0.838 1317 Q CB -0.308 28.430 28.738 -0.001 0.000 0.900 1317 Q HN 0.434 nan 8.270 nan 0.000 0.436 1318 L N 0.728 121.884 121.223 -0.113 0.000 1.990 1318 L HA -0.217 4.124 4.340 0.001 0.000 0.213 1318 L C 2.717 179.519 176.870 -0.112 0.000 1.072 1318 L CA 1.211 55.970 54.840 -0.136 0.000 0.755 1318 L CB -0.660 41.221 42.059 -0.298 0.000 0.889 1318 L HN 0.214 nan 8.230 nan 0.000 0.432 1319 L N -0.436 120.676 121.223 -0.184 0.000 2.351 1319 L HA -0.246 4.095 4.340 0.001 0.000 0.220 1319 L C 2.461 179.326 176.870 -0.009 0.000 1.127 1319 L CA 0.856 55.642 54.840 -0.090 0.000 0.786 1319 L CB -0.520 41.486 42.059 -0.088 0.000 0.914 1319 L HN 0.336 nan 8.230 nan 0.000 0.443 1320 L N -0.220 120.997 121.223 -0.010 0.000 2.265 1320 L HA -0.143 4.198 4.340 0.001 0.000 0.215 1320 L C 1.211 178.099 176.870 0.030 0.000 1.117 1320 L CA 0.548 55.396 54.840 0.013 0.000 0.782 1320 L CB -0.171 41.894 42.059 0.009 0.000 0.914 1320 L HN 0.173 nan 8.230 nan 0.000 0.441 1321 E N -0.089 120.135 120.200 0.039 0.000 2.089 1321 E HA 0.133 4.484 4.350 0.001 0.000 0.284 1321 E C -1.850 174.807 176.600 0.095 0.000 1.023 1321 E CA -2.543 53.895 56.400 0.065 0.000 0.819 1321 E CB 1.266 31.010 29.700 0.074 0.000 1.076 1321 E HN -0.121 nan 8.360 nan 0.000 0.396 1322 P HA -0.186 nan 4.420 nan 0.000 0.217 1322 P C 1.219 178.619 177.300 0.166 0.000 1.148 1322 P CA 1.533 64.702 63.100 0.115 0.000 0.828 1322 P CB 0.098 31.846 31.700 0.080 0.000 0.783 1323 M N -1.866 117.832 119.600 0.164 0.000 2.117 1323 M HA -0.119 4.361 4.480 0.001 0.000 0.262 1323 M C 1.706 178.190 176.300 0.307 0.000 1.065 1323 M CA 1.530 56.958 55.300 0.213 0.000 1.114 1323 M CB -1.073 31.649 32.600 0.203 0.000 1.361 1323 M HN -0.006 nan 8.290 nan 0.000 0.408 1324 L N 0.095 121.481 121.223 0.271 0.000 2.131 1324 L HA -0.083 4.258 4.340 0.001 0.000 0.206 1324 L C 2.351 179.442 176.870 0.368 0.000 1.087 1324 L CA 1.458 56.488 54.840 0.317 0.000 0.767 1324 L CB -1.347 40.871 42.059 0.265 0.000 0.917 1324 L HN 0.349 nan 8.230 nan 0.000 0.441 1325 K N -0.495 120.063 120.400 0.263 0.000 2.152 1325 K HA -0.252 4.068 4.320 0.001 0.000 0.206 1325 K C 2.263 179.022 176.600 0.265 0.000 1.048 1325 K CA 1.365 57.790 56.287 0.231 0.000 0.933 1325 K CB -0.186 32.404 32.500 0.151 0.000 0.721 1325 K HN 0.100 nan 8.250 nan 0.000 0.447 1326 F N 1.597 121.612 119.950 0.109 0.000 2.102 1326 F HA -0.226 4.302 4.527 0.001 0.000 0.298 1326 F C 2.313 178.120 175.800 0.012 0.000 1.105 1326 F CA 1.651 59.668 58.000 0.028 0.000 1.239 1326 F CB -0.325 38.641 39.000 -0.057 0.000 0.991 1326 F HN 0.168 nan 8.300 nan 0.000 0.474 1327 H N -1.307 117.790 119.070 0.045 0.000 2.353 1327 H HA -0.168 4.389 4.556 0.001 0.000 0.300 1327 H C 2.257 177.520 175.328 -0.108 0.000 1.090 1327 H CA 2.330 58.288 56.048 -0.151 0.000 1.327 1327 H CB -0.796 28.729 29.762 -0.396 0.000 1.383 1327 H HN 0.358 nan 8.280 nan 0.000 0.508 1328 Y N 0.294 120.700 120.300 0.177 0.000 2.163 1328 Y HA -0.189 4.362 4.550 0.001 0.000 0.288 1328 Y C 3.045 179.001 175.900 0.093 0.000 1.136 1328 Y CA 0.959 59.177 58.100 0.196 0.000 1.147 1328 Y CB -0.246 38.317 38.460 0.172 0.000 0.987 1328 Y HN 0.052 nan 8.280 nan 0.000 0.509 1329 M N -0.987 118.713 119.600 0.167 0.000 2.080 1329 M HA -0.225 4.256 4.480 0.001 0.000 0.260 1329 M C 2.224 178.490 176.300 -0.056 0.000 1.068 1329 M CA 1.557 56.887 55.300 0.052 0.000 1.109 1329 M CB -0.589 32.018 32.600 0.011 0.000 1.342 1329 M HN 0.329 nan 8.290 nan 0.000 0.405 1330 L N 0.663 121.742 121.223 -0.241 0.000 2.083 1330 L HA -0.160 4.180 4.340 0.001 0.000 0.209 1330 L C 2.260 179.085 176.870 -0.076 0.000 1.083 1330 L CA 1.915 56.578 54.840 -0.294 0.000 0.752 1330 L CB -0.617 41.074 42.059 -0.613 0.000 0.899 1330 L HN 0.075 nan 8.230 nan 0.000 0.433 1331 K N -0.176 120.248 120.400 0.040 0.000 2.148 1331 K HA -0.189 4.132 4.320 0.001 0.000 0.204 1331 K C 2.115 178.782 176.600 0.112 0.000 1.050 1331 K CA 1.156 57.527 56.287 0.140 0.000 0.942 1331 K CB -0.151 32.465 32.500 0.193 0.000 0.724 1331 K HN 0.132 nan 8.250 nan 0.000 0.446 1332 K N 0.387 120.847 120.400 0.100 0.000 2.209 1332 K HA 0.001 4.322 4.320 0.001 0.000 0.204 1332 K C 1.340 177.980 176.600 0.066 0.000 1.048 1332 K CA 1.151 57.498 56.287 0.099 0.000 0.940 1332 K CB -0.095 32.471 32.500 0.110 0.000 0.729 1332 K HN 0.198 nan 8.250 nan 0.000 0.451 1333 L N 0.806 122.044 121.223 0.024 0.000 2.552 1333 L HA 0.020 4.360 4.340 0.001 0.000 0.227 1333 L C 0.038 176.899 176.870 -0.014 0.000 1.146 1333 L CA 0.225 55.061 54.840 -0.006 0.000 0.858 1333 L CB -0.489 41.531 42.059 -0.066 0.000 0.969 1333 L HN 0.307 nan 8.230 nan 0.000 0.451 1334 Q N 1.045 120.869 119.800 0.040 0.000 2.443 1334 Q HA -0.191 4.150 4.340 0.001 0.000 0.337 1334 Q C -0.292 175.745 176.000 0.061 0.000 1.401 1334 Q CA 0.417 56.270 55.803 0.083 0.000 0.943 1334 Q CB -1.803 26.991 28.738 0.095 0.000 1.177 1334 Q HN 0.508 nan 8.270 nan 0.000 0.394 1335 L N 0.440 121.676 121.223 0.022 0.000 2.464 1335 L HA 0.216 4.557 4.340 0.001 0.000 0.264 1335 L C 1.277 178.297 176.870 0.249 0.000 1.199 1335 L CA -0.146 54.661 54.840 -0.056 0.000 0.818 1335 L CB 0.336 42.132 42.059 -0.438 0.000 1.102 1335 L HN 0.335 nan 8.230 nan 0.000 0.473 1336 H N 0.315 119.434 119.070 0.082 0.000 2.509 1336 H HA 0.079 4.636 4.556 0.001 0.000 0.360 1336 H C 0.404 175.866 175.328 0.223 0.000 1.398 1336 H CA -0.996 55.142 56.048 0.149 0.000 1.429 1336 H CB 1.403 31.249 29.762 0.140 0.000 1.611 1336 H HN 0.566 nan 8.280 nan 0.000 0.606 1337 E N 1.113 121.485 120.200 0.287 0.000 2.107 1337 E HA -0.136 4.215 4.350 0.001 0.000 0.191 1337 E C 1.823 178.510 176.600 0.144 0.000 0.982 1337 E CA 1.054 57.581 56.400 0.212 0.000 0.809 1337 E CB -0.035 29.732 29.700 0.112 0.000 0.756 1337 E HN 0.569 nan 8.360 nan 0.000 0.459 1338 E N 0.995 121.224 120.200 0.048 0.000 2.110 1338 E HA -0.154 4.197 4.350 0.001 0.000 0.193 1338 E C 1.947 178.418 176.600 -0.215 0.000 0.988 1338 E CA 1.044 57.356 56.400 -0.147 0.000 0.804 1338 E CB -0.086 29.363 29.700 -0.418 0.000 0.745 1338 E HN 0.331 nan 8.360 nan 0.000 0.458 1339 E N -0.591 119.500 120.200 -0.182 0.000 2.072 1339 E HA -0.146 4.204 4.350 0.001 0.000 0.190 1339 E C 1.675 178.215 176.600 -0.100 0.000 0.982 1339 E CA 0.778 57.077 56.400 -0.169 0.000 0.803 1339 E CB -0.168 29.430 29.700 -0.171 0.000 0.755 1339 E HN 0.332 nan 8.360 nan 0.000 0.453 1340 Y N 0.150 120.424 120.300 -0.044 0.000 2.145 1340 Y HA -0.241 4.310 4.550 0.001 0.000 0.286 1340 Y C 2.420 178.269 175.900 -0.085 0.000 1.145 1340 Y CA 1.066 59.138 58.100 -0.047 0.000 1.148 1340 Y CB -0.373 38.072 38.460 -0.025 0.000 0.981 1340 Y HN -0.045 nan 8.280 nan 0.000 0.507 1341 V N 0.156 120.124 119.914 0.091 0.000 2.343 1341 V HA -0.281 3.840 4.120 0.001 0.000 0.247 1341 V C 2.082 178.176 176.094 -0.001 0.000 1.051 1341 V CA 1.766 64.077 62.300 0.018 0.000 1.036 1341 V CB -0.514 31.349 31.823 0.065 0.000 0.654 1341 V HN 0.420 nan 8.190 nan 0.000 0.451 1342 L N -1.186 120.027 121.223 -0.017 0.000 2.042 1342 L HA -0.251 4.090 4.340 0.001 0.000 0.210 1342 L C 2.571 179.423 176.870 -0.030 0.000 1.076 1342 L CA 2.164 56.987 54.840 -0.028 0.000 0.749 1342 L CB -0.432 41.633 42.059 0.010 0.000 0.893 1342 L HN 0.330 nan 8.230 nan 0.000 0.432 1343 M N -1.073 118.515 119.600 -0.020 0.000 2.080 1343 M HA -0.275 4.206 4.480 0.001 0.000 0.260 1343 M C 2.364 178.649 176.300 -0.026 0.000 1.068 1343 M CA 1.828 57.119 55.300 -0.014 0.000 1.109 1343 M CB -0.369 32.212 32.600 -0.033 0.000 1.342 1343 M HN 0.261 nan 8.290 nan 0.000 0.405 1344 Q N -0.083 119.680 119.800 -0.062 0.000 2.061 1344 Q HA -0.190 4.150 4.340 0.001 0.000 0.204 1344 Q C 2.241 178.228 176.000 -0.022 0.000 0.984 1344 Q CA 1.772 57.509 55.803 -0.109 0.000 0.846 1344 Q CB -0.420 28.131 28.738 -0.313 0.000 0.902 1344 Q HN 0.599 nan 8.270 nan 0.000 0.421 1345 A N 1.306 124.107 122.820 -0.032 0.000 1.849 1345 A HA -0.243 4.077 4.320 0.001 0.000 0.217 1345 A C 2.089 179.695 177.584 0.037 0.000 1.202 1345 A CA 1.730 53.680 52.037 -0.145 0.000 0.629 1345 A CB -0.975 17.507 19.000 -0.864 0.000 0.834 1345 A HN 0.344 nan 8.150 nan 0.000 0.447 1346 I N -0.531 120.056 120.570 0.028 0.000 2.151 1346 I HA -0.280 3.891 4.170 0.001 0.000 0.243 1346 I C 2.865 179.074 176.117 0.154 0.000 1.080 1346 I CA 1.766 63.173 61.300 0.179 0.000 1.339 1346 I CB -0.449 37.641 38.000 0.150 0.000 1.039 1346 I HN 0.466 nan 8.210 nan 0.000 0.409 1347 S N 0.964 116.705 115.700 0.068 0.000 2.370 1347 S HA -0.206 4.264 4.470 0.001 0.000 0.226 1347 S C 2.017 176.622 174.600 0.008 0.000 1.033 1347 S CA 1.542 59.760 58.200 0.029 0.000 1.011 1347 S CB -0.377 62.814 63.200 -0.015 0.000 0.852 1347 S HN 0.347 nan 8.310 nan 0.000 0.457 1348 L N 0.673 121.877 121.223 -0.031 0.000 1.994 1348 L HA 0.196 4.536 4.340 0.001 0.000 0.208 1348 L C 0.432 177.169 176.870 -0.222 0.000 1.071 1348 L CA 1.732 56.454 54.840 -0.197 0.000 0.745 1348 L CB -0.806 41.034 42.059 -0.364 0.000 0.892 1348 L HN 0.349 nan 8.230 nan 0.000 0.431 1349 F N 0.783 120.813 119.950 0.133 0.000 2.640 1349 F HA 0.291 4.818 4.527 0.001 0.000 0.354 1349 F C 0.634 176.525 175.800 0.151 0.000 1.213 1349 F CA -0.252 57.865 58.000 0.195 0.000 1.314 1349 F CB -0.569 38.615 39.000 0.307 0.000 1.679 1349 F HN -0.119 nan 8.300 nan 0.000 0.622 1350 S N 3.828 119.643 115.700 0.191 0.000 2.420 1350 S HA 0.193 4.664 4.470 0.001 0.000 0.313 1350 S C -1.342 173.335 174.600 0.129 0.000 1.079 1350 S CA -1.107 57.179 58.200 0.144 0.000 1.104 1350 S CB 1.317 64.566 63.200 0.081 0.000 0.969 1350 S HN 0.241 nan 8.310 nan 0.000 0.471 1351 P HA -0.129 nan 4.420 nan 0.000 0.217 1351 P C 0.624 177.975 177.300 0.085 0.000 1.150 1351 P CA 1.061 64.242 63.100 0.135 0.000 0.832 1351 P CB -0.101 31.689 31.700 0.149 0.000 0.787 1352 D N -0.236 120.197 120.400 0.054 0.000 2.403 1352 D HA -0.064 4.577 4.640 0.001 0.000 0.260 1352 D C 0.189 176.500 176.300 0.019 0.000 1.243 1352 D CA 0.213 54.225 54.000 0.020 0.000 0.918 1352 D CB -0.432 40.376 40.800 0.013 0.000 0.939 1352 D HN 0.031 nan 8.370 nan 0.000 0.507 1353 R N 1.922 122.440 120.500 0.030 0.000 2.297 1353 R HA 0.302 4.643 4.340 0.001 0.000 0.308 1353 R C -2.256 174.051 176.300 0.011 0.000 1.029 1353 R CA -2.261 53.849 56.100 0.016 0.000 0.929 1353 R CB 0.408 30.718 30.300 0.017 0.000 1.046 1353 R HN 0.152 nan 8.270 nan 0.000 0.461 1354 P HA -0.013 nan 4.420 nan 0.000 0.262 1354 P C 0.466 177.765 177.300 -0.002 0.000 1.199 1354 P CA 0.566 63.664 63.100 -0.004 0.000 0.763 1354 P CB 0.470 32.163 31.700 -0.011 0.000 0.790 1355 G N 1.604 110.407 108.800 0.006 0.000 2.141 1355 G HA2 -0.167 3.793 3.960 0.001 0.000 0.231 1355 G HA3 -0.167 3.793 3.960 0.001 0.000 0.231 1355 G C -0.111 174.800 174.900 0.017 0.000 0.984 1355 G CA -0.248 44.856 45.100 0.007 0.000 0.660 1355 G HN 0.525 nan 8.290 nan 0.000 0.525 1356 V N 1.089 121.025 119.914 0.037 0.000 2.567 1356 V HA 0.590 4.711 4.120 0.001 0.000 0.289 1356 V C 1.568 177.708 176.094 0.078 0.000 1.049 1356 V CA -0.247 62.086 62.300 0.054 0.000 0.969 1356 V CB 1.660 33.531 31.823 0.080 0.000 0.995 1356 V HN 0.211 nan 8.190 nan 0.000 0.471 1357 L N 1.712 122.963 121.223 0.046 0.000 2.379 1357 L HA 0.138 4.479 4.340 0.001 0.000 0.190 1357 L C 1.565 178.409 176.870 -0.044 0.000 1.111 1357 L CA 0.167 55.022 54.840 0.025 0.000 0.820 1357 L CB -0.284 41.769 42.059 -0.010 0.000 1.046 1357 L HN 0.540 nan 8.230 nan 0.000 0.485 1358 Q N 1.435 121.202 119.800 -0.055 0.000 2.285 1358 Q HA -0.134 4.207 4.340 0.001 0.000 0.191 1358 Q C 1.129 177.078 176.000 -0.085 0.000 0.860 1358 Q CA 0.255 55.995 55.803 -0.104 0.000 1.015 1358 Q CB -0.596 28.112 28.738 -0.051 0.000 1.118 1358 Q HN 0.607 nan 8.270 nan 0.000 0.455 1359 H N -1.804 117.279 119.070 0.022 0.000 2.561 1359 H HA -0.117 4.439 4.556 0.001 0.000 0.289 1359 H C 1.704 177.048 175.328 0.028 0.000 1.054 1359 H CA 1.363 57.430 56.048 0.031 0.000 1.210 1359 H CB -0.068 29.708 29.762 0.023 0.000 1.353 1359 H HN 0.042 nan 8.280 nan 0.000 0.601 1360 R N 0.666 121.081 120.500 -0.142 0.000 2.062 1360 R HA 0.098 4.439 4.340 0.001 0.000 0.218 1360 R C 2.099 178.391 176.300 -0.013 0.000 1.161 1360 R CA 1.296 57.374 56.100 -0.037 0.000 0.994 1360 R CB -0.637 29.573 30.300 -0.150 0.000 0.888 1360 R HN 0.247 nan 8.270 nan 0.000 0.442 1361 V N 0.544 120.430 119.914 -0.047 0.000 2.332 1361 V HA -0.217 3.904 4.120 0.001 0.000 0.248 1361 V C 2.334 178.423 176.094 -0.007 0.000 1.055 1361 V CA 1.789 64.061 62.300 -0.047 0.000 1.038 1361 V CB -0.502 31.290 31.823 -0.051 0.000 0.651 1361 V HN 0.135 nan 8.190 nan 0.000 0.450 1362 V N 0.589 120.548 119.914 0.074 0.000 2.237 1362 V HA -0.339 3.781 4.120 0.001 0.000 0.245 1362 V C 2.355 178.532 176.094 0.138 0.000 1.046 1362 V CA 2.588 64.995 62.300 0.178 0.000 1.007 1362 V CB -0.781 31.178 31.823 0.228 0.000 0.638 1362 V HN 0.670 nan 8.190 nan 0.000 0.445 1363 D N -0.838 119.634 120.400 0.120 0.000 2.190 1363 D HA -0.237 4.403 4.640 0.001 0.000 0.200 1363 D C 2.218 178.545 176.300 0.045 0.000 0.992 1363 D CA 1.567 55.627 54.000 0.100 0.000 0.854 1363 D CB -0.031 40.833 40.800 0.106 0.000 0.936 1363 D HN 0.544 nan 8.370 nan 0.000 0.462 1364 Q N -0.661 119.135 119.800 -0.006 0.000 2.137 1364 Q HA -0.017 4.324 4.340 0.001 0.000 0.198 1364 Q C 2.442 178.349 176.000 -0.156 0.000 0.960 1364 Q CA 0.518 56.278 55.803 -0.073 0.000 0.847 1364 Q CB 0.107 28.785 28.738 -0.100 0.000 0.915 1364 Q HN 0.407 nan 8.270 nan 0.000 0.448 1365 L N 0.572 121.677 121.223 -0.198 0.000 2.005 1365 L HA -0.215 4.126 4.340 0.001 0.000 0.207 1365 L C 2.663 179.383 176.870 -0.251 0.000 1.072 1365 L CA 1.269 55.861 54.840 -0.414 0.000 0.744 1365 L CB -0.492 41.276 42.059 -0.484 0.000 0.895 1365 L HN 0.312 nan 8.230 nan 0.000 0.433 1366 Q N 0.054 119.904 119.800 0.083 0.000 2.268 1366 Q HA -0.302 4.038 4.340 0.001 0.000 0.210 1366 Q C 2.042 178.155 176.000 0.188 0.000 0.988 1366 Q CA 1.983 57.962 55.803 0.293 0.000 0.883 1366 Q CB 0.025 28.927 28.738 0.274 0.000 0.911 1366 Q HN 0.478 nan 8.270 nan 0.000 0.430 1367 E N -0.500 119.732 120.200 0.053 0.000 2.112 1367 E HA -0.217 4.134 4.350 0.001 0.000 0.190 1367 E C 1.933 178.528 176.600 -0.009 0.000 0.979 1367 E CA 0.830 57.256 56.400 0.043 0.000 0.814 1367 E CB 0.108 29.815 29.700 0.012 0.000 0.762 1367 E HN 0.246 nan 8.360 nan 0.000 0.460 1368 Q N 0.074 119.781 119.800 -0.154 0.000 2.119 1368 Q HA -0.114 4.227 4.340 0.001 0.000 0.201 1368 Q C 1.667 177.601 176.000 -0.110 0.000 0.972 1368 Q CA 1.597 57.275 55.803 -0.207 0.000 0.847 1368 Q CB -0.335 28.163 28.738 -0.400 0.000 0.903 1368 Q HN 0.361 nan 8.270 nan 0.000 0.433 1369 F N -0.464 119.497 119.950 0.019 0.000 2.102 1369 F HA -0.205 4.322 4.527 0.001 0.000 0.298 1369 F C 2.266 178.127 175.800 0.102 0.000 1.105 1369 F CA 0.575 58.615 58.000 0.066 0.000 1.239 1369 F CB -0.426 38.625 39.000 0.086 0.000 0.991 1369 F HN 0.213 nan 8.300 nan 0.000 0.474 1370 A N 0.755 123.769 122.820 0.322 0.000 1.865 1370 A HA -0.191 4.130 4.320 0.001 0.000 0.217 1370 A C 2.102 179.792 177.584 0.177 0.000 1.191 1370 A CA 1.800 54.034 52.037 0.328 0.000 0.623 1370 A CB -1.182 18.015 19.000 0.329 0.000 0.826 1370 A HN 0.394 nan 8.150 nan 0.000 0.444 1371 I N -0.354 120.259 120.570 0.073 0.000 2.264 1371 I HA -0.242 3.929 4.170 0.001 0.000 0.248 1371 I C 2.532 178.625 176.117 -0.039 0.000 1.111 1371 I CA 1.745 63.019 61.300 -0.044 0.000 1.382 1371 I CB -0.618 37.365 38.000 -0.028 0.000 1.060 1371 I HN 0.265 nan 8.210 nan 0.000 0.418 1372 T N 1.130 115.715 114.554 0.052 0.000 2.777 1372 T HA -0.152 4.198 4.350 0.001 0.000 0.266 1372 T C 1.847 176.620 174.700 0.122 0.000 1.040 1372 T CA 1.255 63.412 62.100 0.095 0.000 1.141 1372 T CB -0.300 68.663 68.868 0.158 0.000 0.868 1372 T HN 0.208 nan 8.240 nan 0.000 0.444 1373 L N 1.605 122.912 121.223 0.139 0.000 1.994 1373 L HA 0.001 4.342 4.340 0.001 0.000 0.208 1373 L C 2.349 179.267 176.870 0.079 0.000 1.071 1373 L CA 1.957 56.896 54.840 0.166 0.000 0.745 1373 L CB -0.601 41.623 42.059 0.276 0.000 0.892 1373 L HN 0.072 nan 8.230 nan 0.000 0.431 1374 K N -1.112 119.121 120.400 -0.279 0.000 2.032 1374 K HA -0.212 4.109 4.320 0.001 0.000 0.209 1374 K C 2.355 178.819 176.600 -0.227 0.000 1.048 1374 K CA 1.665 57.556 56.287 -0.660 0.000 0.927 1374 K CB -0.383 31.316 32.500 -1.337 0.000 0.712 1374 K HN 0.442 nan 8.250 nan 0.000 0.441 1375 S N -0.337 115.285 115.700 -0.130 0.000 2.370 1375 S HA -0.223 4.247 4.470 0.001 0.000 0.226 1375 S C 1.868 176.479 174.600 0.018 0.000 1.033 1375 S CA 1.429 59.602 58.200 -0.045 0.000 1.011 1375 S CB -0.515 62.679 63.200 -0.010 0.000 0.852 1375 S HN 0.544 nan 8.310 nan 0.000 0.457 1376 Y N 1.749 122.034 120.300 -0.026 0.000 2.181 1376 Y HA -0.010 4.541 4.550 0.001 0.000 0.288 1376 Y C 1.898 177.799 175.900 0.002 0.000 1.146 1376 Y CA 1.681 59.788 58.100 0.011 0.000 1.164 1376 Y CB -0.440 38.047 38.460 0.044 0.000 0.982 1376 Y HN 0.299 nan 8.280 nan 0.000 0.515 1377 I N 0.418 121.118 120.570 0.215 0.000 2.454 1377 I HA -0.274 3.897 4.170 0.001 0.000 0.254 1377 I C 1.979 178.087 176.117 -0.015 0.000 1.156 1377 I CA 1.679 63.050 61.300 0.118 0.000 1.433 1377 I CB -0.368 37.724 38.000 0.153 0.000 1.082 1377 I HN 0.385 nan 8.210 nan 0.000 0.432 1378 E N 0.068 120.243 120.200 -0.041 0.000 2.112 1378 E HA -0.119 4.232 4.350 0.001 0.000 0.190 1378 E C 2.009 178.560 176.600 -0.082 0.000 0.979 1378 E CA 1.110 57.478 56.400 -0.053 0.000 0.814 1378 E CB -0.154 29.514 29.700 -0.054 0.000 0.762 1378 E HN 0.498 nan 8.360 nan 0.000 0.460 1379 C N 1.539 120.760 119.300 -0.131 0.000 2.576 1379 C HA 0.151 4.611 4.460 0.001 0.000 0.267 1379 C C 1.258 176.126 174.990 -0.204 0.000 1.364 1379 C CA -0.054 58.873 59.018 -0.151 0.000 1.723 1379 C CB -1.070 26.577 27.740 -0.155 0.000 1.778 1379 C HN 0.372 nan 8.230 nan 0.000 0.572 1380 N N 0.271 118.830 118.700 -0.234 0.000 2.081 1380 N HA 0.080 4.820 4.740 0.001 0.000 0.230 1380 N C -0.367 175.121 175.510 -0.036 0.000 1.351 1380 N CA 0.007 52.945 53.050 -0.186 0.000 0.840 1380 N CB 0.528 38.767 38.487 -0.414 0.000 1.189 1380 N HN 0.557 nan 8.380 nan 0.000 0.503 1381 R N 0.636 121.132 120.500 -0.006 0.000 2.687 1381 R HA 0.274 4.614 4.340 0.001 0.000 0.264 1381 R C -2.235 174.130 176.300 0.108 0.000 1.715 1381 R CA -1.078 55.094 56.100 0.120 0.000 1.633 1381 R CB 1.436 31.809 30.300 0.123 0.000 1.353 1381 R HN -0.108 nan 8.270 nan 0.000 0.653 1382 P HA -0.187 nan 4.420 nan 0.000 0.211 1382 P C -0.310 176.961 177.300 -0.049 0.000 1.179 1382 P CA 1.104 64.200 63.100 -0.007 0.000 0.910 1382 P CB 0.208 31.900 31.700 -0.014 0.000 0.785 1383 Q N -0.003 119.737 119.800 -0.099 0.000 3.237 1383 Q HA -0.153 4.187 4.340 0.001 0.000 0.397 1383 Q C -1.686 174.142 176.000 -0.287 0.000 1.085 1383 Q CA 0.706 56.361 55.803 -0.247 0.000 1.207 1383 Q CB -1.303 27.163 28.738 -0.453 0.000 1.109 1383 Q HN 0.270 nan 8.270 nan 0.000 0.476 1384 P HA -0.179 nan 4.420 nan 0.000 0.220 1384 P C 0.574 177.786 177.300 -0.148 0.000 1.148 1384 P CA 1.657 64.665 63.100 -0.153 0.000 0.803 1384 P CB 0.127 31.765 31.700 -0.104 0.000 0.782 1385 A N -1.015 121.671 122.820 -0.224 0.000 2.186 1385 A HA -0.195 4.126 4.320 0.001 0.000 0.219 1385 A C 1.237 178.847 177.584 0.043 0.000 1.159 1385 A CA 1.317 53.280 52.037 -0.124 0.000 0.680 1385 A CB -1.497 17.403 19.000 -0.165 0.000 0.787 1385 A HN 0.413 nan 8.150 nan 0.000 0.467 1386 H N -1.343 117.715 119.070 -0.020 0.000 2.592 1386 H HA 0.211 4.768 4.556 0.001 0.000 0.279 1386 H C 0.076 175.366 175.328 -0.063 0.000 1.089 1386 H CA -0.832 55.203 56.048 -0.021 0.000 1.150 1386 H CB 0.293 30.041 29.762 -0.023 0.000 1.575 1386 H HN 0.309 nan 8.280 nan 0.000 0.547 1387 R N 0.608 121.076 120.500 -0.053 0.000 2.570 1387 R HA -0.020 4.321 4.340 0.001 0.000 0.277 1387 R C -0.250 175.910 176.300 -0.234 0.000 1.039 1387 R CA 0.335 56.212 56.100 -0.371 0.000 1.065 1387 R CB 0.008 29.930 30.300 -0.630 0.000 0.964 1387 R HN 0.385 nan 8.270 nan 0.000 0.428 1388 F N -0.590 119.416 119.950 0.094 0.000 3.006 1388 F HA -0.301 4.227 4.527 0.001 0.000 0.289 1388 F C 1.296 177.148 175.800 0.087 0.000 0.772 1388 F CA -0.021 58.034 58.000 0.092 0.000 1.162 1388 F CB -1.328 37.709 39.000 0.061 0.000 1.382 1388 F HN 0.487 nan 8.300 nan 0.000 0.406 1389 L N 0.574 121.914 121.223 0.195 0.000 1.989 1389 L HA -0.182 4.158 4.340 0.001 0.000 0.211 1389 L C 2.338 179.293 176.870 0.141 0.000 1.071 1389 L CA 2.469 57.390 54.840 0.135 0.000 0.749 1389 L CB -0.962 41.146 42.059 0.081 0.000 0.890 1389 L HN 0.291 nan 8.230 nan 0.000 0.431 1390 F N -0.292 119.697 119.950 0.064 0.000 2.120 1390 F HA -0.264 4.264 4.527 0.001 0.000 0.300 1390 F C 2.042 177.886 175.800 0.073 0.000 1.095 1390 F CA 1.937 59.974 58.000 0.062 0.000 1.249 1390 F CB -0.454 38.589 39.000 0.073 0.000 0.995 1390 F HN 0.119 nan 8.300 nan 0.000 0.480 1391 L N -0.166 121.020 121.223 -0.062 0.000 2.109 1391 L HA -0.167 4.174 4.340 0.001 0.000 0.207 1391 L C 2.452 179.247 176.870 -0.125 0.000 1.086 1391 L CA 1.291 56.037 54.840 -0.156 0.000 0.760 1391 L CB -0.660 41.441 42.059 0.069 0.000 0.910 1391 L HN 0.041 nan 8.230 nan 0.000 0.437 1392 K N 0.375 120.758 120.400 -0.029 0.000 2.057 1392 K HA -0.128 4.193 4.320 0.001 0.000 0.207 1392 K C 2.083 178.640 176.600 -0.072 0.000 1.049 1392 K CA 1.278 57.550 56.287 -0.024 0.000 0.931 1392 K CB -0.198 32.315 32.500 0.022 0.000 0.714 1392 K HN 0.207 nan 8.250 nan 0.000 0.440 1393 I N 0.996 121.500 120.570 -0.110 0.000 2.163 1393 I HA -0.319 3.851 4.170 0.001 0.000 0.243 1393 I C 2.373 178.406 176.117 -0.140 0.000 1.085 1393 I CA 1.127 62.352 61.300 -0.126 0.000 1.347 1393 I CB -0.221 37.706 38.000 -0.121 0.000 1.044 1393 I HN 0.197 nan 8.210 nan 0.000 0.408 1394 M N 0.169 119.612 119.600 -0.262 0.000 2.159 1394 M HA -0.143 4.338 4.480 0.001 0.000 0.263 1394 M C 2.554 178.793 176.300 -0.102 0.000 1.063 1394 M CA 1.823 56.989 55.300 -0.222 0.000 1.110 1394 M CB -1.454 30.919 32.600 -0.377 0.000 1.374 1394 M HN 0.309 nan 8.290 nan 0.000 0.411 1395 A N -0.028 122.741 122.820 -0.085 0.000 1.930 1395 A HA -0.110 4.211 4.320 0.001 0.000 0.217 1395 A C 2.200 179.798 177.584 0.024 0.000 1.175 1395 A CA 1.215 53.236 52.037 -0.028 0.000 0.627 1395 A CB -0.399 18.587 19.000 -0.023 0.000 0.815 1395 A HN 0.349 nan 8.150 nan 0.000 0.443 1396 M N -0.481 119.141 119.600 0.037 0.000 2.159 1396 M HA -0.027 4.454 4.480 0.001 0.000 0.263 1396 M C 2.068 178.485 176.300 0.195 0.000 1.063 1396 M CA 1.191 56.584 55.300 0.155 0.000 1.110 1396 M CB -1.267 31.383 32.600 0.083 0.000 1.374 1396 M HN 0.392 nan 8.290 nan 0.000 0.411 1397 L N -0.817 120.454 121.223 0.079 0.000 2.141 1397 L HA -0.160 4.180 4.340 0.001 0.000 0.209 1397 L C 2.337 179.219 176.870 0.020 0.000 1.094 1397 L CA 1.032 55.901 54.840 0.050 0.000 0.763 1397 L CB -0.750 41.320 42.059 0.017 0.000 0.908 1397 L HN 0.279 nan 8.230 nan 0.000 0.437 1398 T N -1.321 113.243 114.554 0.017 0.000 2.857 1398 T HA -0.165 4.185 4.350 0.001 0.000 0.266 1398 T C 1.743 176.445 174.700 0.004 0.000 1.048 1398 T CA 1.163 63.267 62.100 0.007 0.000 1.139 1398 T CB 0.041 68.911 68.868 0.004 0.000 0.874 1398 T HN 0.212 nan 8.240 nan 0.000 0.455 1399 E N 1.092 121.308 120.200 0.026 0.000 2.072 1399 E HA -0.051 4.300 4.350 0.001 0.000 0.191 1399 E C 1.951 178.499 176.600 -0.087 0.000 0.985 1399 E CA 0.630 57.041 56.400 0.019 0.000 0.801 1399 E CB -0.516 29.252 29.700 0.114 0.000 0.750 1399 E HN 0.265 nan 8.360 nan 0.000 0.452 1400 L N 0.962 122.087 121.223 -0.163 0.000 2.083 1400 L HA -0.088 4.253 4.340 0.001 0.000 0.209 1400 L C 2.403 179.177 176.870 -0.161 0.000 1.083 1400 L CA 1.854 56.463 54.840 -0.385 0.000 0.752 1400 L CB -0.459 41.389 42.059 -0.351 0.000 0.899 1400 L HN 0.098 nan 8.230 nan 0.000 0.433 1401 R N -1.489 118.967 120.500 -0.073 0.000 2.092 1401 R HA -0.147 4.193 4.340 0.001 0.000 0.231 1401 R C 2.465 178.750 176.300 -0.026 0.000 1.119 1401 R CA 1.421 57.504 56.100 -0.030 0.000 0.970 1401 R CB -0.286 30.007 30.300 -0.012 0.000 0.864 1401 R HN 0.464 nan 8.270 nan 0.000 0.440 1402 S N 0.409 116.089 115.700 -0.034 0.000 2.355 1402 S HA -0.061 4.410 4.470 0.001 0.000 0.222 1402 S C 1.935 176.518 174.600 -0.028 0.000 1.031 1402 S CA 1.048 59.234 58.200 -0.024 0.000 0.993 1402 S CB -0.141 63.049 63.200 -0.015 0.000 0.859 1402 S HN 0.359 nan 8.310 nan 0.000 0.453 1403 I N 2.164 122.705 120.570 -0.050 0.000 2.423 1403 I HA -0.181 3.990 4.170 0.001 0.000 0.254 1403 I C 2.492 178.606 176.117 -0.006 0.000 1.151 1403 I CA 1.036 62.319 61.300 -0.029 0.000 1.421 1403 I CB -0.454 37.489 38.000 -0.095 0.000 1.079 1403 I HN 0.385 nan 8.210 nan 0.000 0.431 1404 N N 1.444 120.148 118.700 0.007 0.000 2.142 1404 N HA -0.140 4.601 4.740 0.001 0.000 0.186 1404 N C 1.843 177.315 175.510 -0.062 0.000 1.023 1404 N CA 1.795 54.831 53.050 -0.023 0.000 0.852 1404 N CB -0.034 38.498 38.487 0.075 0.000 0.998 1404 N HN 0.339 nan 8.380 nan 0.000 0.424 1405 A N 0.796 123.597 122.820 -0.032 0.000 1.858 1405 A HA -0.149 4.171 4.320 0.001 0.000 0.216 1405 A C 2.146 179.699 177.584 -0.051 0.000 1.190 1405 A CA 1.446 53.463 52.037 -0.032 0.000 0.617 1405 A CB -0.862 18.124 19.000 -0.023 0.000 0.827 1405 A HN 0.384 nan 8.150 nan 0.000 0.443 1406 Q N -0.364 119.409 119.800 -0.046 0.000 2.084 1406 Q HA -0.242 4.099 4.340 0.001 0.000 0.202 1406 Q C 2.029 177.970 176.000 -0.098 0.000 0.978 1406 Q CA 2.214 57.985 55.803 -0.053 0.000 0.844 1406 Q CB -0.673 28.050 28.738 -0.025 0.000 0.898 1406 Q HN 0.882 nan 8.270 nan 0.000 0.426 1407 H N -0.408 118.530 119.070 -0.219 0.000 2.319 1407 H HA -0.093 4.463 4.556 0.001 0.000 0.299 1407 H C 1.533 176.688 175.328 -0.290 0.000 1.092 1407 H CA 2.096 57.942 56.048 -0.337 0.000 1.302 1407 H CB 0.131 29.415 29.762 -0.797 0.000 1.373 1407 H HN 0.242 nan 8.280 nan 0.000 0.497 1408 T N 1.692 116.076 114.554 -0.284 0.000 2.720 1408 T HA -0.140 4.210 4.350 0.001 0.000 0.268 1408 T C 2.123 176.679 174.700 -0.240 0.000 1.037 1408 T CA 1.389 63.370 62.100 -0.198 0.000 1.144 1408 T CB -0.077 68.821 68.868 0.049 0.000 0.864 1408 T HN 0.390 nan 8.240 nan 0.000 0.444 1409 Q N 0.775 120.473 119.800 -0.171 0.000 2.061 1409 Q HA -0.108 4.233 4.340 0.001 0.000 0.204 1409 Q C 2.432 178.324 176.000 -0.179 0.000 0.984 1409 Q CA 1.414 57.135 55.803 -0.137 0.000 0.846 1409 Q CB -0.459 28.223 28.738 -0.093 0.000 0.902 1409 Q HN 0.505 nan 8.270 nan 0.000 0.421 1410 R N 0.389 120.753 120.500 -0.227 0.000 2.080 1410 R HA -0.179 4.162 4.340 0.001 0.000 0.236 1410 R C 2.372 178.514 176.300 -0.264 0.000 1.137 1410 R CA 1.357 57.323 56.100 -0.225 0.000 0.943 1410 R CB -0.418 29.743 30.300 -0.232 0.000 0.846 1410 R HN 0.203 nan 8.270 nan 0.000 0.431 1411 L N 1.263 122.222 121.223 -0.440 0.000 2.012 1411 L HA -0.172 4.168 4.340 0.001 0.000 0.210 1411 L C 2.166 178.885 176.870 -0.252 0.000 1.073 1411 L CA 1.671 56.275 54.840 -0.394 0.000 0.748 1411 L CB -0.455 41.156 42.059 -0.746 0.000 0.891 1411 L HN 0.288 nan 8.230 nan 0.000 0.431 1412 L N -1.107 119.964 121.223 -0.253 0.000 2.042 1412 L HA -0.264 4.076 4.340 0.001 0.000 0.210 1412 L C 2.779 179.571 176.870 -0.131 0.000 1.076 1412 L CA 1.474 56.208 54.840 -0.176 0.000 0.749 1412 L CB -0.518 41.460 42.059 -0.136 0.000 0.893 1412 L HN 0.257 nan 8.230 nan 0.000 0.432 1413 R N 0.148 120.574 120.500 -0.124 0.000 2.080 1413 R HA -0.166 4.175 4.340 0.001 0.000 0.236 1413 R C 2.296 178.527 176.300 -0.115 0.000 1.137 1413 R CA 1.687 57.722 56.100 -0.108 0.000 0.943 1413 R CB -0.409 29.831 30.300 -0.100 0.000 0.846 1413 R HN 0.288 nan 8.270 nan 0.000 0.431 1414 I N 0.423 120.939 120.570 -0.090 0.000 2.264 1414 I HA -0.315 3.856 4.170 0.001 0.000 0.248 1414 I C 2.601 178.714 176.117 -0.007 0.000 1.111 1414 I CA 1.228 62.483 61.300 -0.075 0.000 1.382 1414 I CB -0.289 37.702 38.000 -0.016 0.000 1.060 1414 I HN 0.222 nan 8.210 nan 0.000 0.418 1415 Q N 1.261 121.087 119.800 0.043 0.000 2.046 1415 Q HA -0.265 4.075 4.340 0.001 0.000 0.200 1415 Q C 1.798 177.740 176.000 -0.097 0.000 0.975 1415 Q CA 2.002 57.777 55.803 -0.048 0.000 0.836 1415 Q CB -0.318 28.290 28.738 -0.217 0.000 0.896 1415 Q HN 0.372 nan 8.270 nan 0.000 0.428 1416 D N -0.690 119.648 120.400 -0.103 0.000 2.221 1416 D HA -0.122 4.518 4.640 0.001 0.000 0.204 1416 D C 1.522 177.766 176.300 -0.094 0.000 0.982 1416 D CA 1.063 55.009 54.000 -0.091 0.000 0.857 1416 D CB 0.002 40.755 40.800 -0.079 0.000 0.934 1416 D HN 0.457 nan 8.370 nan 0.000 0.475 1417 I N -1.805 118.677 120.570 -0.148 0.000 2.927 1417 I HA -0.036 4.134 4.170 0.001 0.000 0.268 1417 I C 0.659 176.673 176.117 -0.171 0.000 1.153 1417 I CA 0.312 61.498 61.300 -0.190 0.000 1.459 1417 I CB 0.411 38.156 38.000 -0.425 0.000 1.149 1417 I HN 0.061 nan 8.210 nan 0.000 0.443 1418 H N 2.498 121.333 119.070 -0.392 0.000 2.596 1418 H HA 0.252 4.809 4.556 0.001 0.000 0.240 1418 H C -2.715 172.515 175.328 -0.164 0.000 1.406 1418 H CA -1.751 54.036 56.048 -0.434 0.000 1.504 1418 H CB 0.873 29.916 29.762 -1.198 0.000 1.688 1418 H HN -0.110 nan 8.280 nan 0.000 0.546 1419 P HA -0.087 nan 4.420 nan 0.000 0.264 1419 P C 0.074 177.404 177.300 0.049 0.000 1.173 1419 P CA 0.520 63.569 63.100 -0.086 0.000 0.761 1419 P CB 0.359 31.970 31.700 -0.148 0.000 0.794 1420 F N -0.861 119.022 119.950 -0.112 0.000 2.596 1420 F HA 0.385 4.913 4.527 0.001 0.000 0.397 1420 F C 0.537 176.331 175.800 -0.011 0.000 0.823 1420 F CA -0.369 57.604 58.000 -0.044 0.000 0.955 1420 F CB -0.682 38.324 39.000 0.010 0.000 1.061 1420 F HN 0.280 nan 8.300 nan 0.000 0.604 1421 A N 3.502 125.706 122.820 -1.025 0.000 2.583 1421 A HA 0.356 4.676 4.320 0.001 0.000 0.249 1421 A C 0.915 178.391 177.584 -0.181 0.000 1.035 1421 A CA 0.872 52.546 52.037 -0.606 0.000 0.777 1421 A CB -0.834 17.791 19.000 -0.626 0.000 0.942 1421 A HN 0.609 nan 8.150 nan 0.000 0.516 1422 T N 1.615 116.157 114.554 -0.020 0.000 2.748 1422 T HA 0.314 4.664 4.350 0.001 0.000 0.304 1422 T C -1.628 173.096 174.700 0.040 0.000 1.041 1422 T CA -0.752 61.375 62.100 0.045 0.000 1.033 1422 T CB 0.258 69.195 68.868 0.115 0.000 0.995 1422 T HN 0.349 nan 8.240 nan 0.000 0.536 1423 P HA -0.072 nan 4.420 nan 0.000 0.215 1423 P C 1.730 179.056 177.300 0.044 0.000 1.157 1423 P CA 0.378 63.496 63.100 0.030 0.000 0.868 1423 P CB -0.097 31.620 31.700 0.029 0.000 0.788 1424 L N -1.512 119.754 121.223 0.071 0.000 2.131 1424 L HA -0.111 4.230 4.340 0.001 0.000 0.210 1424 L C 2.192 179.106 176.870 0.074 0.000 1.092 1424 L CA 1.902 56.781 54.840 0.065 0.000 0.759 1424 L CB -1.156 40.967 42.059 0.106 0.000 0.903 1424 L HN -0.081 nan 8.230 nan 0.000 0.435 1425 M N -1.519 118.189 119.600 0.180 0.000 2.156 1425 M HA -0.193 4.288 4.480 0.001 0.000 0.264 1425 M C 2.204 178.676 176.300 0.287 0.000 1.067 1425 M CA 1.543 57.044 55.300 0.335 0.000 1.131 1425 M CB -0.327 32.505 32.600 0.386 0.000 1.368 1425 M HN 0.302 nan 8.290 nan 0.000 0.416 1426 Q N 0.269 120.139 119.800 0.116 0.000 2.135 1426 Q HA -0.195 4.146 4.340 0.001 0.000 0.204 1426 Q C 1.817 177.843 176.000 0.043 0.000 0.981 1426 Q CA 1.428 57.266 55.803 0.057 0.000 0.856 1426 Q CB -0.190 28.545 28.738 -0.005 0.000 0.902 1426 Q HN 0.599 nan 8.270 nan 0.000 0.425 1427 E N 0.603 120.806 120.200 0.005 0.000 2.046 1427 E HA -0.124 4.227 4.350 0.001 0.000 0.190 1427 E C 2.053 178.588 176.600 -0.108 0.000 0.982 1427 E CA 0.725 57.099 56.400 -0.043 0.000 0.800 1427 E CB -0.046 29.623 29.700 -0.052 0.000 0.756 1427 E HN 0.297 nan 8.360 nan 0.000 0.449 1428 L N -0.125 120.976 121.223 -0.203 0.000 2.191 1428 L HA -0.153 4.188 4.340 0.001 0.000 0.212 1428 L C 1.906 178.455 176.870 -0.535 0.000 1.103 1428 L CA 1.028 55.593 54.840 -0.458 0.000 0.769 1428 L CB -0.171 41.406 42.059 -0.804 0.000 0.908 1428 L HN 0.094 nan 8.230 nan 0.000 0.438 1429 F N -1.615 118.272 119.950 -0.105 0.000 2.289 1429 F HA 0.244 4.771 4.527 0.001 0.000 0.280 1429 F C 1.920 177.673 175.800 -0.079 0.000 1.045 1429 F CA 0.906 58.858 58.000 -0.081 0.000 1.236 1429 F CB -0.168 38.791 39.000 -0.068 0.000 1.116 1429 F HN -0.049 nan 8.300 nan 0.000 0.550 1430 G N -0.753 108.122 108.800 0.125 0.000 4.080 1430 G HA2 -0.044 3.917 3.960 0.001 0.000 0.219 1430 G HA3 -0.044 3.917 3.960 0.001 0.000 0.219 1430 G C 0.263 175.168 174.900 0.009 0.000 0.843 1430 G CA -0.366 44.755 45.100 0.037 0.000 0.856 1430 G HN 0.087 nan 8.290 nan 0.000 0.616 1431 I N 3.938 124.512 120.570 0.007 0.000 3.426 1431 I HA 0.116 4.286 4.170 0.001 0.000 0.295 1431 I C 2.283 178.380 176.117 -0.032 0.000 1.215 1431 I CA 1.174 62.452 61.300 -0.037 0.000 1.383 1431 I CB -0.623 37.326 38.000 -0.086 0.000 1.110 1431 I HN 0.227 nan 8.210 nan 0.000 0.540 1432 T N -1.578 112.964 114.554 -0.021 0.000 2.674 1432 T HA -0.022 4.328 4.350 0.001 0.000 0.265 1432 T C 1.214 175.898 174.700 -0.026 0.000 1.039 1432 T CA 0.966 63.053 62.100 -0.021 0.000 1.150 1432 T CB -0.600 68.257 68.868 -0.019 0.000 0.864 1432 T HN 0.475 nan 8.240 nan 0.000 0.427 1433 G N 0.000 108.784 108.800 -0.027 0.000 5.446 1433 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 1433 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 1433 G CA 0.000 45.084 45.100 -0.027 0.000 0.502 1433 G HN 0.000 nan 8.290 nan 0.000 0.925