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 3gd7_1_C DATA FIRST_RESID 1204 DATA SEQUENCE WPSGGQMTVK DLTAKYTEGG NAILENISFS ISPGQRVGLL GRTGSGKSTL DATA SEQUENCE LSAFLRLLNT EGEIQIDGVS WDSITLEQWR KAFGVIPQKV FIFSGTFRKN DATA SEQUENCE LDPNAAHSDQ EIWKVADEVG LRSVIEQFPG KLDFVLVDGG CVLSHGHKQL DATA SEQUENCE MCLARSVLSK AKILLLDEPS AHLDPVTYQI IRRTLKQAFA DCTVILCEAR DATA SEQUENCE IEAMLECDQF LVIEENKVRQ YDSILELYHY PADRFVAGFI GSPKMNFLPV DATA SEQUENCE KVTATAIDQV QVELPMPNRQ QVWLPVESRD VQVGANMSLG IRPEHLLPSD DATA SEQUENCE IADVILEGEV QVVEQLGNET QIHIQIPSIR QNLVYRQNDV VLVEEGATFA DATA SEQUENCE IGLPPERCHL FREDGTACRR LHKEPG 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 1204 W HA 0.000 nan 4.660 nan 0.000 0.303 1204 W C 0.000 176.498 176.519 -0.035 0.000 1.175 1204 W CA 0.000 57.334 57.345 -0.019 0.000 1.226 1204 W CB 0.000 29.464 29.460 0.007 0.000 1.126 1205 P HA 0.367 nan 4.420 nan 0.000 0.271 1205 P C 0.267 177.349 177.300 -0.363 0.000 1.220 1205 P CA 0.767 63.281 63.100 -0.977 0.000 0.768 1205 P CB 1.412 32.494 31.700 -1.030 0.000 0.848 1206 S N 2.206 117.790 115.700 -0.193 0.000 2.321 1206 S HA 0.128 4.595 4.470 -0.006 0.000 0.188 1206 S C 1.729 176.265 174.600 -0.107 0.000 1.080 1206 S CA 1.097 59.249 58.200 -0.078 0.000 1.198 1206 S CB -1.157 62.047 63.200 0.007 0.000 0.926 1206 S HN 0.534 nan 8.310 nan 0.000 0.426 1207 G N -1.395 107.352 108.800 -0.087 0.000 2.490 1207 G HA2 0.418 4.375 3.960 -0.006 0.000 0.211 1207 G HA3 0.418 4.375 3.960 -0.006 0.000 0.211 1207 G C 0.992 175.826 174.900 -0.110 0.000 1.159 1207 G CA 0.921 45.972 45.100 -0.082 0.000 0.819 1207 G HN 1.812 nan 8.290 nan 0.000 0.539 1208 G N -1.162 107.559 108.800 -0.131 0.000 2.321 1208 G HA2 -0.123 3.833 3.960 -0.006 0.000 0.174 1208 G HA3 -0.123 3.833 3.960 -0.006 0.000 0.174 1208 G C 0.127 174.956 174.900 -0.119 0.000 1.008 1208 G CA 0.260 45.264 45.100 -0.160 0.000 0.739 1208 G HN 0.642 nan 8.290 nan 0.000 0.502 1209 Q N 1.351 121.106 119.800 -0.076 0.000 2.289 1209 Q HA 0.624 4.961 4.340 -0.006 0.000 0.273 1209 Q C 0.337 176.311 176.000 -0.044 0.000 1.029 1209 Q CA 0.165 55.943 55.803 -0.042 0.000 0.896 1209 Q CB 0.292 29.021 28.738 -0.015 0.000 1.182 1209 Q HN 0.720 nan 8.270 nan 0.000 0.385 1210 M N 1.553 121.124 119.600 -0.048 0.000 2.386 1210 M HA 0.644 5.121 4.480 -0.006 0.000 0.293 1210 M C -1.106 175.143 176.300 -0.085 0.000 1.120 1210 M CA -0.743 54.523 55.300 -0.056 0.000 0.909 1210 M CB 2.398 34.939 32.600 -0.098 0.000 1.661 1210 M HN 0.489 nan 8.290 nan 0.000 0.452 1211 T N 0.349 114.842 114.554 -0.100 0.000 2.812 1211 T HA 0.732 5.078 4.350 -0.006 0.000 0.282 1211 T C -0.760 173.789 174.700 -0.252 0.000 0.990 1211 T CA -0.765 61.241 62.100 -0.157 0.000 0.960 1211 T CB 1.399 70.216 68.868 -0.086 0.000 0.948 1211 T HN 0.589 nan 8.240 nan 0.000 0.438 1212 V N 2.405 122.068 119.914 -0.419 0.000 2.370 1212 V HA 0.814 4.931 4.120 -0.006 0.000 0.283 1212 V C 0.346 176.281 176.094 -0.264 0.000 1.023 1212 V CA -0.777 61.255 62.300 -0.448 0.000 0.857 1212 V CB 0.861 32.190 31.823 -0.823 0.000 0.985 1212 V HN 1.231 nan 8.190 nan 0.000 0.443 1213 K N 2.212 122.509 120.400 -0.171 0.000 2.483 1213 K HA 0.489 4.806 4.320 -0.006 0.000 0.256 1213 K C 0.059 176.644 176.600 -0.026 0.000 0.961 1213 K CA -0.567 55.675 56.287 -0.075 0.000 0.873 1213 K CB 0.481 32.946 32.500 -0.057 0.000 1.107 1213 K HN 0.795 nan 8.250 nan 0.000 0.432 1214 D N 0.928 121.333 120.400 0.008 0.000 2.697 1214 D HA -0.154 4.483 4.640 -0.006 0.000 0.238 1214 D C 0.017 176.347 176.300 0.049 0.000 1.152 1214 D CA 0.758 54.779 54.000 0.034 0.000 0.666 1214 D CB -0.833 39.986 40.800 0.032 0.000 1.037 1214 D HN 0.579 nan 8.370 nan 0.000 0.423 1215 L N 0.720 121.973 121.223 0.050 0.000 2.367 1215 L HA 0.290 4.626 4.340 -0.006 0.000 0.275 1215 L C 0.162 177.076 176.870 0.074 0.000 1.129 1215 L CA 0.663 55.548 54.840 0.075 0.000 0.839 1215 L CB 1.222 43.311 42.059 0.050 0.000 1.133 1215 L HN 0.001 nan 8.230 nan 0.000 0.453 1216 T N 4.510 119.114 114.554 0.084 0.000 2.863 1216 T HA 0.847 5.194 4.350 -0.006 0.000 0.285 1216 T C -0.761 173.952 174.700 0.023 0.000 1.009 1216 T CA -0.323 61.804 62.100 0.044 0.000 0.989 1216 T CB 1.643 70.532 68.868 0.035 0.000 1.004 1216 T HN 0.849 nan 8.240 nan 0.000 0.455 1217 A N 3.054 125.861 122.820 -0.021 0.000 2.414 1217 A HA 0.708 5.025 4.320 -0.006 0.000 0.286 1217 A C -0.664 176.849 177.584 -0.119 0.000 1.073 1217 A CA -0.899 51.083 52.037 -0.091 0.000 0.727 1217 A CB 0.990 19.913 19.000 -0.128 0.000 1.215 1217 A HN 0.706 nan 8.150 nan 0.000 0.430 1218 K N 1.392 121.707 120.400 -0.140 0.000 2.328 1218 K HA 0.489 4.805 4.320 -0.006 0.000 0.246 1218 K C -0.567 175.925 176.600 -0.179 0.000 0.955 1218 K CA -0.615 55.616 56.287 -0.094 0.000 0.817 1218 K CB 1.766 34.254 32.500 -0.022 0.000 1.208 1218 K HN 0.654 nan 8.250 nan 0.000 0.432 1219 Y N 0.268 120.565 120.300 -0.006 0.000 2.347 1219 Y HA 0.020 4.567 4.550 -0.006 0.000 0.294 1219 Y C 0.789 176.684 175.900 -0.008 0.000 1.117 1219 Y CA 0.549 58.645 58.100 -0.007 0.000 1.184 1219 Y CB 1.004 39.460 38.460 -0.006 0.000 1.047 1219 Y HN 0.386 nan 8.280 nan 0.000 0.546 1220 T N 0.743 115.380 114.554 0.137 0.000 2.792 1220 T HA 0.408 4.755 4.350 -0.006 0.000 0.280 1220 T C -0.200 174.521 174.700 0.035 0.000 0.990 1220 T CA -0.586 61.557 62.100 0.070 0.000 0.960 1220 T CB 1.253 70.157 68.868 0.061 0.000 0.939 1220 T HN 0.215 nan 8.240 nan 0.000 0.439 1221 E N 1.110 121.319 120.200 0.015 0.000 2.406 1221 E HA 0.415 4.762 4.350 -0.006 0.000 0.247 1221 E C 1.358 177.962 176.600 0.006 0.000 1.160 1221 E CA 0.219 56.620 56.400 0.002 0.000 0.950 1221 E CB -1.085 28.610 29.700 -0.008 0.000 0.993 1221 E HN 1.256 nan 8.360 nan 0.000 0.472 1222 G N 1.382 110.186 108.800 0.007 0.000 2.231 1222 G HA2 -0.060 3.897 3.960 -0.006 0.000 0.206 1222 G HA3 -0.060 3.897 3.960 -0.006 0.000 0.206 1222 G C 1.007 175.916 174.900 0.015 0.000 0.996 1222 G CA 0.314 45.419 45.100 0.009 0.000 0.645 1222 G HN 1.541 nan 8.290 nan 0.000 0.498 1223 G N -0.238 108.577 108.800 0.024 0.000 2.494 1223 G HA2 0.449 4.405 3.960 -0.006 0.000 0.270 1223 G HA3 0.449 4.405 3.960 -0.006 0.000 0.270 1223 G C 0.071 174.993 174.900 0.035 0.000 1.423 1223 G CA -0.139 44.981 45.100 0.033 0.000 1.055 1223 G HN 0.432 nan 8.290 nan 0.000 0.536 1224 N N 0.228 118.956 118.700 0.045 0.000 2.492 1224 N HA 0.336 5.072 4.740 -0.006 0.000 0.262 1224 N C -0.058 175.485 175.510 0.054 0.000 1.202 1224 N CA -0.116 52.961 53.050 0.044 0.000 0.926 1224 N CB 0.866 39.379 38.487 0.042 0.000 1.078 1224 N HN 0.509 nan 8.380 nan 0.000 0.454 1225 A N 3.239 126.081 122.820 0.036 0.000 2.316 1225 A HA 0.236 4.553 4.320 -0.006 0.000 0.311 1225 A C 0.839 178.443 177.584 0.033 0.000 1.339 1225 A CA -0.454 51.600 52.037 0.029 0.000 0.960 1225 A CB -0.040 18.971 19.000 0.018 0.000 1.152 1225 A HN 0.669 nan 8.150 nan 0.000 0.547 1226 I N 2.210 122.807 120.570 0.044 0.000 2.277 1226 I HA -0.046 4.120 4.170 -0.006 0.000 0.243 1226 I C 0.572 176.702 176.117 0.021 0.000 1.094 1226 I CA 1.310 62.640 61.300 0.049 0.000 1.393 1226 I CB -0.172 37.892 38.000 0.107 0.000 1.078 1226 I HN 0.539 nan 8.210 nan 0.000 0.417 1227 L N 0.107 121.333 121.223 0.006 0.000 2.313 1227 L HA 0.364 4.701 4.340 -0.006 0.000 0.283 1227 L C 0.760 177.639 176.870 0.015 0.000 1.013 1227 L CA -0.103 54.741 54.840 0.007 0.000 0.816 1227 L CB 2.112 44.167 42.059 -0.007 0.000 1.236 1227 L HN 0.072 nan 8.230 nan 0.000 0.419 1228 E N 1.999 122.214 120.200 0.026 0.000 2.329 1228 E HA 0.156 4.503 4.350 -0.006 0.000 0.189 1228 E C -0.015 176.607 176.600 0.037 0.000 0.997 1228 E CA 0.085 56.501 56.400 0.028 0.000 1.062 1228 E CB 0.687 30.401 29.700 0.025 0.000 1.260 1228 E HN 0.680 nan 8.360 nan 0.000 0.490 1229 N N 0.468 119.193 118.700 0.043 0.000 2.844 1229 N HA 0.317 5.054 4.740 -0.006 0.000 0.268 1229 N C -1.440 174.110 175.510 0.066 0.000 1.574 1229 N CA -0.106 52.974 53.050 0.049 0.000 0.838 1229 N CB 1.286 39.797 38.487 0.040 0.000 1.177 1229 N HN 0.040 nan 8.380 nan 0.000 0.495 1230 I N 0.997 121.618 120.570 0.085 0.000 2.315 1230 I HA 0.289 4.455 4.170 -0.006 0.000 0.291 1230 I C -0.237 175.974 176.117 0.157 0.000 1.006 1230 I CA -0.126 61.259 61.300 0.141 0.000 1.265 1230 I CB 1.176 39.278 38.000 0.171 0.000 1.387 1230 I HN 0.201 nan 8.210 nan 0.000 0.475 1231 S N 7.218 123.031 115.700 0.188 0.000 2.707 1231 S HA 0.713 5.180 4.470 -0.006 0.000 0.303 1231 S C -0.723 174.032 174.600 0.257 0.000 1.132 1231 S CA -0.603 57.675 58.200 0.130 0.000 1.046 1231 S CB 0.963 64.204 63.200 0.068 0.000 1.004 1231 S HN 0.501 nan 8.310 nan 0.000 0.483 1232 F N -0.056 119.925 119.950 0.052 0.000 2.745 1232 F HA 0.902 5.426 4.527 -0.006 0.000 0.316 1232 F C -0.695 175.139 175.800 0.056 0.000 1.155 1232 F CA -1.038 56.997 58.000 0.058 0.000 0.937 1232 F CB 1.034 40.082 39.000 0.079 0.000 1.361 1232 F HN 0.446 nan 8.300 nan 0.000 0.472 1233 S N 0.611 116.420 115.700 0.181 0.000 2.546 1233 S HA 0.838 5.305 4.470 -0.006 0.000 0.274 1233 S C -1.493 173.214 174.600 0.180 0.000 1.121 1233 S CA -0.716 57.517 58.200 0.054 0.000 0.887 1233 S CB 1.718 64.930 63.200 0.020 0.000 1.094 1233 S HN 0.797 nan 8.310 nan 0.000 0.474 1234 I N 2.085 122.722 120.570 0.112 0.000 2.436 1234 I HA 0.380 4.546 4.170 -0.006 0.000 0.289 1234 I C 0.109 176.249 176.117 0.039 0.000 1.010 1234 I CA -0.652 60.713 61.300 0.109 0.000 1.098 1234 I CB 2.253 40.331 38.000 0.129 0.000 1.266 1234 I HN 0.628 nan 8.210 nan 0.000 0.434 1235 S N 7.018 122.739 115.700 0.034 0.000 2.579 1235 S HA 0.230 4.697 4.470 -0.006 0.000 0.275 1235 S C -2.237 172.359 174.600 -0.006 0.000 1.345 1235 S CA -0.785 57.422 58.200 0.012 0.000 1.031 1235 S CB 0.194 63.404 63.200 0.016 0.000 0.892 1235 S HN 0.430 nan 8.310 nan 0.000 0.529 1236 P HA 0.201 nan 4.420 nan 0.000 0.271 1236 P C 0.723 178.007 177.300 -0.027 0.000 1.218 1236 P CA 0.370 63.448 63.100 -0.036 0.000 0.780 1236 P CB 0.300 31.976 31.700 -0.041 0.000 0.901 1237 G N 0.818 109.599 108.800 -0.032 0.000 2.143 1237 G HA2 -0.198 3.758 3.960 -0.006 0.000 0.249 1237 G HA3 -0.198 3.758 3.960 -0.006 0.000 0.249 1237 G C 0.103 174.993 174.900 -0.016 0.000 0.981 1237 G CA -0.263 44.824 45.100 -0.021 0.000 0.665 1237 G HN 0.595 nan 8.290 nan 0.000 0.528 1238 Q N 0.474 120.262 119.800 -0.019 0.000 2.279 1238 Q HA 0.370 4.707 4.340 -0.006 0.000 0.256 1238 Q C 0.182 176.162 176.000 -0.033 0.000 0.937 1238 Q CA -0.399 55.391 55.803 -0.022 0.000 0.933 1238 Q CB 1.095 29.827 28.738 -0.011 0.000 1.189 1238 Q HN 0.246 nan 8.270 nan 0.000 0.417 1239 R N 1.604 122.074 120.500 -0.050 0.000 2.220 1239 R HA 0.314 4.650 4.340 -0.006 0.000 0.340 1239 R C -0.063 176.158 176.300 -0.131 0.000 1.076 1239 R CA -0.340 55.719 56.100 -0.068 0.000 0.920 1239 R CB 0.058 30.321 30.300 -0.062 0.000 1.062 1239 R HN 0.364 nan 8.270 nan 0.000 0.469 1240 V N 1.906 121.759 119.914 -0.101 0.000 2.481 1240 V HA 0.599 4.716 4.120 -0.006 0.000 0.286 1240 V C 1.144 177.152 176.094 -0.143 0.000 1.042 1240 V CA -0.668 61.551 62.300 -0.135 0.000 0.928 1240 V CB 1.960 33.767 31.823 -0.028 0.000 0.986 1240 V HN 0.908 nan 8.190 nan 0.000 0.462 1241 G N 4.031 112.669 108.800 -0.270 0.000 2.329 1241 G HA2 0.522 4.479 3.960 -0.006 0.000 0.309 1241 G HA3 0.522 4.479 3.960 -0.006 0.000 0.309 1241 G C -0.955 174.033 174.900 0.147 0.000 1.110 1241 G CA -0.383 44.711 45.100 -0.009 0.000 0.923 1241 G HN 0.561 nan 8.290 nan 0.000 0.430 1242 L N 3.546 124.845 121.223 0.127 0.000 2.265 1242 L HA 0.666 5.003 4.340 -0.006 0.000 0.288 1242 L C -0.490 176.436 176.870 0.094 0.000 1.058 1242 L CA -0.343 54.555 54.840 0.096 0.000 0.809 1242 L CB 0.615 42.722 42.059 0.081 0.000 1.179 1242 L HN 0.383 nan 8.230 nan 0.000 0.429 1243 L N 4.507 125.761 121.223 0.051 0.000 2.309 1243 L HA 1.031 5.367 4.340 -0.006 0.000 0.261 1243 L C 0.051 176.907 176.870 -0.024 0.000 1.021 1243 L CA -0.662 54.174 54.840 -0.006 0.000 0.823 1243 L CB 2.244 44.231 42.059 -0.120 0.000 1.366 1243 L HN 0.740 nan 8.230 nan 0.000 0.423 1244 G N 0.160 108.897 108.800 -0.105 0.000 2.358 1244 G HA2 0.183 4.140 3.960 -0.006 0.000 0.303 1244 G HA3 0.183 4.140 3.960 -0.006 0.000 0.303 1244 G C -1.620 172.659 174.900 -1.035 0.000 1.537 1244 G CA -1.028 43.784 45.100 -0.481 0.000 0.928 1244 G HN 0.424 nan 8.290 nan 0.000 0.656 1245 R N -0.485 119.283 120.500 -1.220 0.000 2.905 1245 R HA 0.385 4.721 4.340 -0.006 0.000 0.273 1245 R C 0.892 176.971 176.300 -0.367 0.000 1.033 1245 R CA 0.357 55.926 56.100 -0.886 0.000 1.182 1245 R CB 0.267 30.249 30.300 -0.529 0.000 1.097 1245 R HN 0.526 nan 8.270 nan 0.000 0.504 1246 T N -0.200 114.242 114.554 -0.187 0.000 2.902 1246 T HA 0.180 4.526 4.350 -0.006 0.000 0.301 1246 T C 1.160 175.807 174.700 -0.088 0.000 1.012 1246 T CA 1.103 63.153 62.100 -0.083 0.000 1.151 1246 T CB 0.159 69.010 68.868 -0.028 0.000 0.946 1246 T HN 0.729 nan 8.240 nan 0.000 0.542 1247 G N 3.244 112.008 108.800 -0.061 0.000 2.155 1247 G HA2 -0.339 3.618 3.960 -0.006 0.000 0.257 1247 G HA3 -0.339 3.618 3.960 -0.006 0.000 0.257 1247 G C 1.120 175.988 174.900 -0.054 0.000 0.983 1247 G CA 1.179 46.250 45.100 -0.048 0.000 0.676 1247 G HN 1.373 nan 8.290 nan 0.000 0.528 1248 S N -1.087 114.559 115.700 -0.090 0.000 2.436 1248 S HA 0.404 4.871 4.470 -0.006 0.000 0.228 1248 S C 1.955 176.524 174.600 -0.052 0.000 1.014 1248 S CA 1.412 59.555 58.200 -0.095 0.000 0.950 1248 S CB 0.263 63.359 63.200 -0.173 0.000 0.784 1248 S HN 2.312 nan 8.310 nan 0.000 0.504 1249 G N 0.760 109.540 108.800 -0.033 0.000 2.157 1249 G HA2 -0.126 3.831 3.960 -0.006 0.000 0.114 1249 G HA3 -0.126 3.831 3.960 -0.006 0.000 0.114 1249 G C 0.487 175.379 174.900 -0.014 0.000 1.041 1249 G CA 0.066 45.165 45.100 -0.001 0.000 0.714 1249 G HN 0.407 nan 8.290 nan 0.000 0.492 1250 K N 0.475 120.864 120.400 -0.017 0.000 2.002 1250 K HA -0.017 4.299 4.320 -0.006 0.000 0.209 1250 K C 2.613 179.216 176.600 0.005 0.000 1.048 1250 K CA 1.796 58.077 56.287 -0.009 0.000 0.930 1250 K CB -0.186 32.318 32.500 0.006 0.000 0.714 1250 K HN 0.266 nan 8.250 nan 0.000 0.438 1251 S N 0.297 116.012 115.700 0.025 0.000 2.383 1251 S HA -0.102 4.365 4.470 -0.006 0.000 0.227 1251 S C 1.955 176.575 174.600 0.032 0.000 1.026 1251 S CA 1.538 59.760 58.200 0.037 0.000 0.981 1251 S CB -0.300 62.933 63.200 0.055 0.000 0.818 1251 S HN 0.342 nan 8.310 nan 0.000 0.472 1252 T N 2.953 117.538 114.554 0.052 0.000 2.759 1252 T HA -0.036 4.310 4.350 -0.006 0.000 0.269 1252 T C 1.685 176.325 174.700 -0.099 0.000 1.042 1252 T CA 0.812 62.931 62.100 0.032 0.000 1.140 1252 T CB -0.378 68.540 68.868 0.083 0.000 0.864 1252 T HN 0.228 nan 8.240 nan 0.000 0.455 1253 L N 0.519 121.661 121.223 -0.135 0.000 1.994 1253 L HA -0.070 4.266 4.340 -0.006 0.000 0.208 1253 L C 2.364 178.940 176.870 -0.491 0.000 1.071 1253 L CA 1.598 56.246 54.840 -0.320 0.000 0.745 1253 L CB -0.399 41.507 42.059 -0.255 0.000 0.892 1253 L HN 0.320 nan 8.230 nan 0.000 0.431 1254 L N -1.015 120.092 121.223 -0.193 0.000 2.083 1254 L HA -0.220 4.116 4.340 -0.006 0.000 0.209 1254 L C 2.585 179.439 176.870 -0.026 0.000 1.083 1254 L CA 1.200 56.036 54.840 -0.007 0.000 0.752 1254 L CB -0.550 41.555 42.059 0.076 0.000 0.899 1254 L HN 0.196 nan 8.230 nan 0.000 0.433 1255 S N -0.130 115.543 115.700 -0.045 0.000 2.402 1255 S HA -0.100 4.367 4.470 -0.006 0.000 0.229 1255 S C 2.190 176.771 174.600 -0.031 0.000 1.021 1255 S CA 1.082 59.270 58.200 -0.019 0.000 0.974 1255 S CB -0.201 63.002 63.200 0.005 0.000 0.800 1255 S HN 0.494 nan 8.310 nan 0.000 0.484 1256 A N 0.711 123.467 122.820 -0.106 0.000 1.969 1256 A HA 0.067 4.383 4.320 -0.006 0.000 0.218 1256 A C 1.793 179.478 177.584 0.168 0.000 1.169 1256 A CA 0.884 52.902 52.037 -0.031 0.000 0.635 1256 A CB -0.845 18.084 19.000 -0.118 0.000 0.810 1256 A HN 0.530 nan 8.150 nan 0.000 0.445 1257 F N 0.023 120.027 119.950 0.090 0.000 2.126 1257 F HA -0.155 4.368 4.527 -0.006 0.000 0.299 1257 F C 1.733 177.542 175.800 0.014 0.000 1.096 1257 F CA 0.914 58.912 58.000 -0.002 0.000 1.255 1257 F CB -0.191 38.584 39.000 -0.376 0.000 0.997 1257 F HN 0.115 nan 8.300 nan 0.000 0.479 1258 L N 0.366 121.647 121.223 0.097 0.000 2.591 1258 L HA 0.087 4.423 4.340 -0.006 0.000 0.228 1258 L C 0.563 177.596 176.870 0.272 0.000 1.133 1258 L CA -0.082 54.842 54.840 0.140 0.000 0.880 1258 L CB -0.655 41.419 42.059 0.024 0.000 1.033 1258 L HN 0.122 nan 8.230 nan 0.000 0.450 1259 R N 0.063 120.722 120.500 0.265 0.000 3.038 1259 R HA -0.208 4.128 4.340 -0.006 0.000 0.242 1259 R C -0.105 176.217 176.300 0.037 0.000 0.866 1259 R CA 0.443 56.609 56.100 0.110 0.000 0.601 1259 R CB -2.404 27.875 30.300 -0.034 0.000 1.107 1259 R HN 0.424 nan 8.270 nan 0.000 0.492 1260 L N 0.874 122.113 121.223 0.026 0.000 2.611 1260 L HA 0.257 4.593 4.340 -0.006 0.000 0.229 1260 L C 1.027 177.886 176.870 -0.017 0.000 1.137 1260 L CA 0.084 54.934 54.840 0.017 0.000 0.901 1260 L CB -0.078 42.004 42.059 0.038 0.000 1.098 1260 L HN 0.537 nan 8.230 nan 0.000 0.456 1261 L N -5.309 115.870 121.223 -0.073 0.000 2.397 1261 L HA 0.514 4.850 4.340 -0.006 0.000 0.251 1261 L C -0.419 176.373 176.870 -0.131 0.000 1.064 1261 L CA -1.001 53.762 54.840 -0.129 0.000 0.859 1261 L CB 1.450 43.313 42.059 -0.327 0.000 1.468 1261 L HN -0.243 nan 8.230 nan 0.000 0.411 1262 N N 0.849 119.473 118.700 -0.126 0.000 2.412 1262 N HA 0.176 4.913 4.740 -0.006 0.000 0.279 1262 N C -0.861 174.582 175.510 -0.112 0.000 1.287 1262 N CA 0.339 53.326 53.050 -0.106 0.000 0.948 1262 N CB 0.263 38.707 38.487 -0.072 0.000 1.255 1262 N HN 0.783 nan 8.380 nan 0.000 0.485 1263 T N -0.327 114.155 114.554 -0.120 0.000 2.812 1263 T HA 0.659 5.005 4.350 -0.006 0.000 0.282 1263 T C 0.033 174.689 174.700 -0.074 0.000 0.990 1263 T CA -0.968 61.088 62.100 -0.073 0.000 0.960 1263 T CB 1.601 70.455 68.868 -0.024 0.000 0.948 1263 T HN 0.363 nan 8.240 nan 0.000 0.438 1264 E N 1.000 121.206 120.200 0.011 0.000 2.285 1264 E HA 0.884 5.231 4.350 -0.006 0.000 0.254 1264 E C 0.736 177.437 176.600 0.168 0.000 1.011 1264 E CA -0.627 55.796 56.400 0.039 0.000 0.873 1264 E CB 0.322 30.035 29.700 0.020 0.000 1.229 1264 E HN 2.186 nan 8.360 nan 0.000 0.422 1265 G N -0.529 108.369 108.800 0.163 0.000 2.698 1265 G HA2 0.046 4.002 3.960 -0.006 0.000 0.225 1265 G HA3 0.046 4.002 3.960 -0.006 0.000 0.225 1265 G C -0.434 174.689 174.900 0.372 0.000 1.345 1265 G CA -0.013 45.208 45.100 0.202 0.000 0.871 1265 G HN 0.786 nan 8.290 nan 0.000 0.540 1266 E N -0.330 119.985 120.200 0.192 0.000 2.241 1266 E HA 0.607 4.953 4.350 -0.006 0.000 0.263 1266 E C -0.776 175.567 176.600 -0.428 0.000 0.882 1266 E CA -0.600 55.856 56.400 0.093 0.000 0.769 1266 E CB 1.312 31.057 29.700 0.074 0.000 1.185 1266 E HN 0.536 nan 8.360 nan 0.000 0.415 1267 I N 2.410 122.205 120.570 -1.292 0.000 2.465 1267 I HA 0.408 4.575 4.170 -0.006 0.000 0.291 1267 I C -0.005 175.727 176.117 -0.642 0.000 1.014 1267 I CA -0.472 60.216 61.300 -1.020 0.000 1.093 1267 I CB 1.915 39.203 38.000 -1.186 0.000 1.267 1267 I HN 0.519 nan 8.210 nan 0.000 0.431 1268 Q N 6.238 125.939 119.800 -0.164 0.000 2.292 1268 Q HA 0.662 4.998 4.340 -0.006 0.000 0.270 1268 Q C -1.035 175.089 176.000 0.207 0.000 1.024 1268 Q CA -0.781 55.077 55.803 0.090 0.000 0.768 1268 Q CB 2.293 31.047 28.738 0.028 0.000 1.250 1268 Q HN 0.699 nan 8.270 nan 0.000 0.447 1269 I N -1.311 119.513 120.570 0.424 0.000 2.359 1269 I HA 0.625 4.791 4.170 -0.006 0.000 0.294 1269 I C -0.362 175.955 176.117 0.333 0.000 0.987 1269 I CA -0.147 61.298 61.300 0.240 0.000 1.225 1269 I CB 1.765 39.763 38.000 -0.004 0.000 1.366 1269 I HN 0.722 nan 8.210 nan 0.000 0.466 1270 D N 4.986 125.481 120.400 0.160 0.000 2.686 1270 D HA -0.221 4.416 4.640 -0.006 0.000 0.235 1270 D C 1.204 177.626 176.300 0.203 0.000 1.160 1270 D CA 1.523 55.627 54.000 0.174 0.000 0.645 1270 D CB -1.068 39.851 40.800 0.198 0.000 1.039 1270 D HN 1.425 nan 8.370 nan 0.000 0.423 1271 G N -1.795 107.086 108.800 0.135 0.000 2.507 1271 G HA2 -0.419 3.538 3.960 -0.006 0.000 0.240 1271 G HA3 -0.419 3.538 3.960 -0.006 0.000 0.240 1271 G C 0.555 175.509 174.900 0.090 0.000 1.119 1271 G CA 0.298 45.453 45.100 0.091 0.000 0.664 1271 G HN 0.671 nan 8.290 nan 0.000 0.516 1272 V N 2.521 122.510 119.914 0.126 0.000 2.450 1272 V HA 0.455 4.572 4.120 -0.006 0.000 0.281 1272 V C 1.281 177.441 176.094 0.110 0.000 1.019 1272 V CA 0.677 62.986 62.300 0.015 0.000 1.062 1272 V CB 1.048 32.678 31.823 -0.321 0.000 0.979 1272 V HN 0.719 nan 8.190 nan 0.000 0.477 1273 S N 6.018 121.739 115.700 0.035 0.000 2.576 1273 S HA 0.079 4.545 4.470 -0.006 0.000 0.272 1273 S C 0.702 175.319 174.600 0.027 0.000 1.352 1273 S CA -0.302 57.924 58.200 0.043 0.000 1.021 1273 S CB 0.306 63.531 63.200 0.041 0.000 0.887 1273 S HN 0.878 nan 8.310 nan 0.000 0.542 1274 W N 2.979 124.005 121.300 -0.457 0.000 3.353 1274 W HA 0.384 5.041 4.660 -0.006 0.000 0.304 1274 W C 0.232 176.459 176.519 -0.487 0.000 1.273 1274 W CA -0.343 56.479 57.345 -0.873 0.000 1.773 1274 W CB -1.117 27.277 29.460 -1.777 0.000 1.095 1274 W HN 0.608 nan 8.180 nan 0.000 0.676 1275 D N 0.555 120.908 120.400 -0.079 0.000 2.380 1275 D HA -0.070 4.566 4.640 -0.006 0.000 0.212 1275 D C 1.438 177.672 176.300 -0.108 0.000 1.021 1275 D CA 1.175 55.076 54.000 -0.165 0.000 0.884 1275 D CB 0.018 40.760 40.800 -0.096 0.000 1.001 1275 D HN 0.203 nan 8.370 nan 0.000 0.506 1276 S N 0.183 115.839 115.700 -0.074 0.000 2.679 1276 S HA 0.312 4.778 4.470 -0.006 0.000 0.233 1276 S C 0.434 174.982 174.600 -0.086 0.000 0.951 1276 S CA -0.396 57.761 58.200 -0.072 0.000 0.973 1276 S CB 0.123 63.285 63.200 -0.063 0.000 0.778 1276 S HN 0.129 nan 8.310 nan 0.000 0.477 1277 I N 1.211 121.734 120.570 -0.078 0.000 3.006 1277 I HA 0.317 4.484 4.170 -0.006 0.000 0.306 1277 I C -0.608 175.510 176.117 0.002 0.000 1.250 1277 I CA -0.741 60.527 61.300 -0.054 0.000 0.996 1277 I CB 2.248 40.183 38.000 -0.109 0.000 1.261 1277 I HN 0.213 nan 8.210 nan 0.000 0.442 1278 T N 3.061 117.639 114.554 0.041 0.000 2.930 1278 T HA 0.115 4.462 4.350 -0.006 0.000 0.306 1278 T C 1.139 175.925 174.700 0.144 0.000 1.045 1278 T CA -0.310 61.830 62.100 0.066 0.000 1.134 1278 T CB 0.924 69.835 68.868 0.070 0.000 0.961 1278 T HN 0.639 nan 8.240 nan 0.000 0.545 1279 L N 1.575 122.861 121.223 0.105 0.000 2.043 1279 L HA -0.077 4.259 4.340 -0.006 0.000 0.212 1279 L C 2.945 179.968 176.870 0.254 0.000 1.075 1279 L CA 2.481 57.417 54.840 0.160 0.000 0.752 1279 L CB -1.032 41.066 42.059 0.064 0.000 0.891 1279 L HN 0.951 nan 8.230 nan 0.000 0.432 1280 E N -0.603 119.709 120.200 0.187 0.000 2.150 1280 E HA -0.201 4.145 4.350 -0.006 0.000 0.193 1280 E C 2.104 178.846 176.600 0.236 0.000 0.985 1280 E CA 1.608 58.119 56.400 0.185 0.000 0.814 1280 E CB -1.192 28.584 29.700 0.127 0.000 0.752 1280 E HN 0.772 nan 8.360 nan 0.000 0.466 1281 Q N -0.534 119.424 119.800 0.264 0.000 2.187 1281 Q HA 0.024 4.360 4.340 -0.006 0.000 0.199 1281 Q C 2.102 178.408 176.000 0.509 0.000 0.957 1281 Q CA 1.277 57.274 55.803 0.323 0.000 0.857 1281 Q CB -1.201 27.694 28.738 0.262 0.000 0.929 1281 Q HN 0.882 nan 8.270 nan 0.000 0.453 1282 W N 0.926 122.438 121.300 0.354 0.000 2.363 1282 W HA -0.140 4.516 4.660 -0.006 0.000 0.296 1282 W C 1.679 178.513 176.519 0.525 0.000 1.212 1282 W CA 1.390 59.046 57.345 0.518 0.000 1.260 1282 W CB 0.110 29.821 29.460 0.419 0.000 1.131 1282 W HN 0.384 nan 8.180 nan 0.000 0.530 1283 R N 0.551 121.297 120.500 0.410 0.000 2.235 1283 R HA -0.076 4.260 4.340 -0.006 0.000 0.213 1283 R C 2.477 178.895 176.300 0.197 0.000 1.059 1283 R CA 1.608 57.890 56.100 0.303 0.000 0.997 1283 R CB -0.425 30.033 30.300 0.263 0.000 0.884 1283 R HN 0.049 nan 8.270 nan 0.000 0.462 1284 K N 0.721 121.211 120.400 0.149 0.000 2.365 1284 K HA 0.104 4.421 4.320 -0.006 0.000 0.199 1284 K C 1.882 178.410 176.600 -0.121 0.000 1.045 1284 K CA 1.254 57.575 56.287 0.057 0.000 0.962 1284 K CB -0.426 32.139 32.500 0.109 0.000 0.759 1284 K HN 0.315 nan 8.250 nan 0.000 0.469 1285 A N -0.218 122.409 122.820 -0.320 0.000 2.066 1285 A HA 0.377 4.693 4.320 -0.006 0.000 0.218 1285 A C 0.545 177.688 177.584 -0.735 0.000 1.157 1285 A CA 0.241 51.827 52.037 -0.752 0.000 0.670 1285 A CB -0.155 18.086 19.000 -1.266 0.000 0.804 1285 A HN 0.431 nan 8.150 nan 0.000 0.453 1286 F N -0.780 119.006 119.950 -0.273 0.000 2.422 1286 F HA 0.560 5.084 4.527 -0.006 0.000 0.333 1286 F C 0.868 176.602 175.800 -0.111 0.000 1.095 1286 F CA -0.435 57.448 58.000 -0.194 0.000 1.038 1286 F CB 1.796 40.700 39.000 -0.160 0.000 1.156 1286 F HN -0.001 nan 8.300 nan 0.000 0.483 1287 G N 2.333 111.183 108.800 0.084 0.000 3.039 1287 G HA2 0.442 4.399 3.960 -0.006 0.000 0.329 1287 G HA3 0.442 4.399 3.960 -0.006 0.000 0.329 1287 G C -1.453 173.467 174.900 0.034 0.000 1.361 1287 G CA -0.547 44.572 45.100 0.032 0.000 1.088 1287 G HN 0.601 nan 8.290 nan 0.000 0.501 1288 V N 4.313 124.258 119.914 0.051 0.000 2.488 1288 V HA 0.613 4.730 4.120 -0.006 0.000 0.277 1288 V C -0.315 175.784 176.094 0.008 0.000 1.046 1288 V CA -0.293 62.029 62.300 0.035 0.000 0.986 1288 V CB 0.452 32.299 31.823 0.041 0.000 0.989 1288 V HN 0.446 nan 8.190 nan 0.000 0.475 1289 I N 9.277 129.844 120.570 -0.006 0.000 2.466 1289 I HA 0.511 4.678 4.170 -0.006 0.000 0.289 1289 I C -2.370 173.732 176.117 -0.024 0.000 1.026 1289 I CA -1.855 59.438 61.300 -0.012 0.000 1.078 1289 I CB 2.345 40.329 38.000 -0.026 0.000 1.249 1289 I HN 0.526 nan 8.210 nan 0.000 0.429 1290 P HA 0.425 nan 4.420 nan 0.000 0.284 1290 P C -1.709 175.599 177.300 0.014 0.000 1.287 1290 P CA -0.583 62.524 63.100 0.011 0.000 0.824 1290 P CB 1.118 32.851 31.700 0.056 0.000 1.180 1291 Q N -2.454 117.368 119.800 0.037 0.000 2.857 1291 Q HA 0.693 5.029 4.340 -0.006 0.000 0.319 1291 Q C -0.734 175.300 176.000 0.057 0.000 0.963 1291 Q CA -1.206 54.622 55.803 0.042 0.000 0.770 1291 Q CB 0.145 28.904 28.738 0.035 0.000 1.492 1291 Q HN 0.185 nan 8.270 nan 0.000 0.493 1292 K N 0.695 121.127 120.400 0.054 0.000 2.307 1292 K HA 0.386 4.703 4.320 -0.006 0.000 0.285 1292 K C -0.388 176.247 176.600 0.058 0.000 1.073 1292 K CA -0.064 56.258 56.287 0.059 0.000 0.996 1292 K CB -0.594 31.933 32.500 0.046 0.000 0.994 1292 K HN 0.362 nan 8.250 nan 0.000 0.452 1293 V N 3.568 123.514 119.914 0.053 0.000 2.432 1293 V HA 0.443 4.559 4.120 -0.006 0.000 0.271 1293 V C -0.333 175.787 176.094 0.044 0.000 1.046 1293 V CA -0.550 61.761 62.300 0.018 0.000 0.945 1293 V CB -0.043 31.746 31.823 -0.056 0.000 0.992 1293 V HN 0.726 nan 8.190 nan 0.000 0.471 1294 F N 6.624 126.483 119.950 -0.151 0.000 2.467 1294 F HA 0.688 5.211 4.527 -0.006 0.000 0.336 1294 F C -0.344 175.261 175.800 -0.325 0.000 1.123 1294 F CA -0.886 56.969 58.000 -0.242 0.000 0.964 1294 F CB 1.205 40.023 39.000 -0.303 0.000 1.136 1294 F HN 0.323 nan 8.300 nan 0.000 0.447 1295 I N 7.264 127.234 120.570 -0.999 0.000 2.382 1295 I HA 0.258 4.424 4.170 -0.006 0.000 0.286 1295 I C -0.703 174.790 176.117 -1.041 0.000 1.002 1295 I CA -0.666 60.169 61.300 -0.776 0.000 1.135 1295 I CB 1.034 38.776 38.000 -0.430 0.000 1.288 1295 I HN 0.422 nan 8.210 nan 0.000 0.448 1296 F N 3.418 123.038 119.950 -0.549 0.000 2.545 1296 F HA -0.024 4.499 4.527 -0.006 0.000 0.348 1296 F C 1.786 177.415 175.800 -0.285 0.000 1.163 1296 F CA 0.420 58.222 58.000 -0.329 0.000 1.331 1296 F CB 0.458 39.403 39.000 -0.091 0.000 1.138 1296 F HN 0.407 nan 8.300 nan 0.000 0.602 1297 S N 0.769 116.470 115.700 0.001 0.000 2.754 1297 S HA 0.192 4.659 4.470 -0.006 0.000 0.223 1297 S C 0.758 175.321 174.600 -0.061 0.000 0.951 1297 S CA 0.283 58.445 58.200 -0.063 0.000 0.954 1297 S CB -1.025 62.153 63.200 -0.036 0.000 0.780 1297 S HN 0.836 nan 8.310 nan 0.000 0.509 1298 G N 0.531 109.311 108.800 -0.032 0.000 2.940 1298 G HA2 0.457 4.414 3.960 -0.006 0.000 0.164 1298 G HA3 0.457 4.414 3.960 -0.006 0.000 0.164 1298 G C 0.055 174.881 174.900 -0.124 0.000 1.326 1298 G CA 0.011 45.068 45.100 -0.071 0.000 1.020 1298 G HN 0.448 nan 8.290 nan 0.000 0.586 1299 T N -2.352 112.147 114.554 -0.091 0.000 2.816 1299 T HA 0.321 4.667 4.350 -0.006 0.000 0.282 1299 T C 1.012 175.679 174.700 -0.056 0.000 0.993 1299 T CA -0.345 61.721 62.100 -0.057 0.000 0.994 1299 T CB 0.873 69.755 68.868 0.023 0.000 1.025 1299 T HN 0.161 nan 8.240 nan 0.000 0.529 1300 F N 1.174 121.110 119.950 -0.023 0.000 2.091 1300 F HA -0.051 4.473 4.527 -0.006 0.000 0.299 1300 F C 3.315 179.079 175.800 -0.060 0.000 1.103 1300 F CA 2.474 60.448 58.000 -0.042 0.000 1.228 1300 F CB -0.889 38.081 39.000 -0.050 0.000 0.984 1300 F HN 0.747 nan 8.300 nan 0.000 0.477 1301 R N 0.365 120.948 120.500 0.138 0.000 2.091 1301 R HA -0.212 4.124 4.340 -0.006 0.000 0.238 1301 R C 1.935 178.233 176.300 -0.004 0.000 1.136 1301 R CA 2.050 58.178 56.100 0.046 0.000 0.959 1301 R CB -1.400 28.929 30.300 0.048 0.000 0.856 1301 R HN 0.286 nan 8.270 nan 0.000 0.437 1302 K N 0.747 121.123 120.400 -0.040 0.000 2.057 1302 K HA -0.026 4.291 4.320 -0.006 0.000 0.206 1302 K C 1.912 178.438 176.600 -0.123 0.000 1.050 1302 K CA 1.637 57.837 56.287 -0.145 0.000 0.935 1302 K CB -0.084 32.297 32.500 -0.198 0.000 0.715 1302 K HN 0.476 nan 8.250 nan 0.000 0.439 1303 N N -0.038 118.667 118.700 0.007 0.000 2.331 1303 N HA -0.088 4.648 4.740 -0.006 0.000 0.180 1303 N C 1.358 176.934 175.510 0.111 0.000 1.019 1303 N CA 0.969 54.106 53.050 0.145 0.000 0.881 1303 N CB 0.065 38.558 38.487 0.010 0.000 0.972 1303 N HN 0.122 nan 8.380 nan 0.000 0.435 1304 L N -0.124 121.128 121.223 0.048 0.000 2.253 1304 L HA 0.083 4.420 4.340 -0.006 0.000 0.205 1304 L C 0.264 177.123 176.870 -0.018 0.000 1.078 1304 L CA 0.905 55.752 54.840 0.012 0.000 0.805 1304 L CB 0.145 42.190 42.059 -0.025 0.000 0.963 1304 L HN -0.099 nan 8.230 nan 0.000 0.459 1305 D N -1.386 119.004 120.400 -0.016 0.000 2.400 1305 D HA 0.226 4.863 4.640 -0.006 0.000 0.272 1305 D C -2.031 174.250 176.300 -0.032 0.000 1.220 1305 D CA -1.758 52.237 54.000 -0.007 0.000 0.897 1305 D CB 1.097 41.914 40.800 0.027 0.000 1.134 1305 D HN -0.110 nan 8.370 nan 0.000 0.507 1306 P HA 0.021 nan 4.420 nan 0.000 0.222 1306 P C 0.688 177.920 177.300 -0.113 0.000 1.153 1306 P CA 0.518 63.497 63.100 -0.202 0.000 0.798 1306 P CB 0.390 32.007 31.700 -0.138 0.000 0.796 1307 N N -0.388 118.308 118.700 -0.007 0.000 2.398 1307 N HA 0.184 4.921 4.740 -0.006 0.000 0.188 1307 N C 0.427 175.949 175.510 0.020 0.000 1.122 1307 N CA 0.545 53.605 53.050 0.018 0.000 0.866 1307 N CB -0.515 38.008 38.487 0.060 0.000 0.970 1307 N HN -0.062 nan 8.380 nan 0.000 0.462 1308 A N 0.025 122.858 122.820 0.021 0.000 2.610 1308 A HA -0.159 4.157 4.320 -0.006 0.000 0.299 1308 A C 1.091 178.697 177.584 0.037 0.000 1.487 1308 A CA 0.947 53.000 52.037 0.027 0.000 0.743 1308 A CB -1.720 17.280 19.000 0.000 0.000 1.070 1308 A HN 0.393 nan 8.150 nan 0.000 0.439 1309 A N -0.626 122.243 122.820 0.081 0.000 2.508 1309 A HA 0.551 4.868 4.320 -0.006 0.000 0.250 1309 A C 0.275 177.735 177.584 -0.207 0.000 1.208 1309 A CA 0.604 52.626 52.037 -0.027 0.000 0.960 1309 A CB 0.329 19.316 19.000 -0.021 0.000 1.099 1309 A HN 0.957 nan 8.150 nan 0.000 0.542 1310 H N -0.110 118.968 119.070 0.014 0.000 2.679 1310 H HA 0.500 5.052 4.556 -0.006 0.000 0.360 1310 H C 0.139 175.482 175.328 0.025 0.000 1.105 1310 H CA -0.168 55.892 56.048 0.019 0.000 1.196 1310 H CB 1.765 31.537 29.762 0.017 0.000 1.636 1310 H HN 0.209 nan 8.280 nan 0.000 0.531 1311 S N 0.955 116.730 115.700 0.125 0.000 2.603 1311 S HA 0.033 4.499 4.470 -0.006 0.000 0.268 1311 S C 0.496 175.176 174.600 0.133 0.000 1.317 1311 S CA -0.638 57.623 58.200 0.102 0.000 1.012 1311 S CB 0.921 64.166 63.200 0.074 0.000 0.926 1311 S HN 0.596 nan 8.310 nan 0.000 0.539 1312 D N 0.528 121.010 120.400 0.137 0.000 2.265 1312 D HA -0.109 4.528 4.640 -0.006 0.000 0.208 1312 D C 1.781 178.250 176.300 0.283 0.000 0.977 1312 D CA 1.201 55.321 54.000 0.201 0.000 0.871 1312 D CB -0.208 40.728 40.800 0.226 0.000 0.925 1312 D HN 0.762 nan 8.370 nan 0.000 0.485 1313 Q N 0.286 120.202 119.800 0.193 0.000 2.049 1313 Q HA -0.138 4.199 4.340 -0.006 0.000 0.198 1313 Q C 1.806 177.909 176.000 0.172 0.000 0.971 1313 Q CA 1.151 57.058 55.803 0.173 0.000 0.833 1313 Q CB 0.142 28.939 28.738 0.098 0.000 0.896 1313 Q HN 0.472 nan 8.270 nan 0.000 0.434 1314 E N -0.501 119.785 120.200 0.143 0.000 2.427 1314 E HA -0.093 4.253 4.350 -0.006 0.000 0.196 1314 E C 1.740 178.405 176.600 0.108 0.000 1.028 1314 E CA 0.401 56.879 56.400 0.130 0.000 0.864 1314 E CB -0.066 29.725 29.700 0.151 0.000 0.813 1314 E HN 0.413 nan 8.360 nan 0.000 0.514 1315 I N -0.006 120.624 120.570 0.099 0.000 2.277 1315 I HA -0.129 4.038 4.170 -0.006 0.000 0.243 1315 I C 1.805 177.896 176.117 -0.043 0.000 1.094 1315 I CA 0.967 62.259 61.300 -0.014 0.000 1.393 1315 I CB -0.187 37.780 38.000 -0.055 0.000 1.078 1315 I HN 0.135 nan 8.210 nan 0.000 0.417 1316 W N 1.456 122.763 121.300 0.013 0.000 2.425 1316 W HA -0.205 4.451 4.660 -0.006 0.000 0.277 1316 W C 2.819 179.334 176.519 -0.006 0.000 1.231 1316 W CA 1.730 59.075 57.345 0.001 0.000 1.248 1316 W CB -0.271 29.188 29.460 -0.001 0.000 1.117 1316 W HN 0.009 nan 8.180 nan 0.000 0.568 1317 K N -0.091 120.435 120.400 0.210 0.000 2.209 1317 K HA -0.089 4.228 4.320 -0.006 0.000 0.204 1317 K C 1.527 178.159 176.600 0.054 0.000 1.048 1317 K CA 1.950 58.304 56.287 0.111 0.000 0.940 1317 K CB -1.153 31.392 32.500 0.075 0.000 0.729 1317 K HN 0.194 nan 8.250 nan 0.000 0.451 1318 V N -0.051 119.881 119.914 0.030 0.000 2.685 1318 V HA 0.068 4.185 4.120 -0.006 0.000 0.244 1318 V C 2.857 178.951 176.094 0.000 0.000 1.054 1318 V CA 1.072 63.369 62.300 -0.006 0.000 1.076 1318 V CB 0.047 31.851 31.823 -0.033 0.000 0.725 1318 V HN 0.608 nan 8.190 nan 0.000 0.467 1319 A N 0.725 123.529 122.820 -0.026 0.000 1.902 1319 A HA -0.260 4.057 4.320 -0.006 0.000 0.217 1319 A C 2.041 179.657 177.584 0.054 0.000 1.181 1319 A CA 2.389 54.388 52.037 -0.063 0.000 0.623 1319 A CB -1.108 17.705 19.000 -0.311 0.000 0.818 1319 A HN 0.596 nan 8.150 nan 0.000 0.443 1320 D N -1.247 119.236 120.400 0.139 0.000 2.183 1320 D HA 0.115 4.751 4.640 -0.006 0.000 0.203 1320 D C 1.969 178.306 176.300 0.061 0.000 0.969 1320 D CA 2.125 56.203 54.000 0.130 0.000 0.842 1320 D CB -0.700 40.185 40.800 0.142 0.000 0.957 1320 D HN 0.735 nan 8.370 nan 0.000 0.484 1321 E N 0.050 120.271 120.200 0.035 0.000 2.072 1321 E HA 0.103 4.449 4.350 -0.006 0.000 0.190 1321 E C 2.454 179.088 176.600 0.056 0.000 0.982 1321 E CA 1.631 58.030 56.400 -0.002 0.000 0.803 1321 E CB -1.067 28.589 29.700 -0.073 0.000 0.755 1321 E HN 1.069 nan 8.360 nan 0.000 0.453 1322 V N -3.112 116.851 119.914 0.082 0.000 3.573 1322 V HA 0.536 4.653 4.120 -0.006 0.000 0.270 1322 V C 1.888 178.012 176.094 0.049 0.000 1.221 1322 V CA 1.014 63.383 62.300 0.115 0.000 1.163 1322 V CB -0.455 31.427 31.823 0.099 0.000 0.847 1322 V HN 1.198 nan 8.190 nan 0.000 0.468 1323 G N 0.791 109.613 108.800 0.037 0.000 2.141 1323 G HA2 -0.219 3.738 3.960 -0.006 0.000 0.231 1323 G HA3 -0.219 3.738 3.960 -0.006 0.000 0.231 1323 G C 0.145 175.046 174.900 0.002 0.000 0.984 1323 G CA 0.208 45.317 45.100 0.015 0.000 0.660 1323 G HN 0.563 nan 8.290 nan 0.000 0.525 1324 L N 0.353 121.581 121.223 0.008 0.000 2.928 1324 L HA 0.401 4.738 4.340 -0.006 0.000 0.236 1324 L C 2.561 179.474 176.870 0.072 0.000 1.290 1324 L CA 0.388 55.234 54.840 0.008 0.000 1.099 1324 L CB -0.473 41.565 42.059 -0.034 0.000 1.437 1324 L HN 0.378 nan 8.230 nan 0.000 0.493 1325 R N 0.532 121.104 120.500 0.119 0.000 2.061 1325 R HA -0.118 4.218 4.340 -0.006 0.000 0.230 1325 R C 2.242 178.680 176.300 0.231 0.000 1.140 1325 R CA 1.960 58.188 56.100 0.213 0.000 0.940 1325 R CB -1.217 29.156 30.300 0.123 0.000 0.839 1325 R HN 0.558 nan 8.270 nan 0.000 0.429 1326 S N -0.621 115.153 115.700 0.122 0.000 2.524 1326 S HA 0.103 4.569 4.470 -0.006 0.000 0.215 1326 S C 2.027 176.667 174.600 0.067 0.000 0.986 1326 S CA 0.630 58.880 58.200 0.083 0.000 0.911 1326 S CB 0.459 63.678 63.200 0.032 0.000 0.805 1326 S HN 0.218 nan 8.310 nan 0.000 0.501 1327 V N 2.879 122.847 119.914 0.091 0.000 2.261 1327 V HA -0.122 3.995 4.120 -0.006 0.000 0.246 1327 V C 2.465 178.622 176.094 0.105 0.000 1.047 1327 V CA 1.589 63.960 62.300 0.118 0.000 1.015 1327 V CB -0.636 31.313 31.823 0.210 0.000 0.642 1327 V HN 0.499 nan 8.190 nan 0.000 0.446 1328 I N 0.756 121.340 120.570 0.022 0.000 2.394 1328 I HA -0.133 4.033 4.170 -0.006 0.000 0.251 1328 I C 2.758 178.902 176.117 0.046 0.000 1.136 1328 I CA 1.851 63.049 61.300 -0.170 0.000 1.425 1328 I CB -1.822 35.886 38.000 -0.487 0.000 1.079 1328 I HN 0.525 nan 8.210 nan 0.000 0.425 1329 E N 1.053 121.353 120.200 0.166 0.000 2.418 1329 E HA -0.102 4.245 4.350 -0.006 0.000 0.197 1329 E C 2.191 178.781 176.600 -0.017 0.000 1.026 1329 E CA 1.159 57.628 56.400 0.116 0.000 0.862 1329 E CB -1.019 28.736 29.700 0.091 0.000 0.799 1329 E HN 0.701 nan 8.360 nan 0.000 0.518 1330 Q N -0.831 118.901 119.800 -0.113 0.000 2.311 1330 Q HA 0.344 4.681 4.340 -0.006 0.000 0.203 1330 Q C 0.795 176.527 176.000 -0.448 0.000 0.954 1330 Q CA 0.509 56.136 55.803 -0.294 0.000 0.885 1330 Q CB -0.429 28.062 28.738 -0.412 0.000 0.963 1330 Q HN 0.628 nan 8.270 nan 0.000 0.471 1331 F N -0.031 119.774 119.950 -0.242 0.000 2.385 1331 F HA 0.369 4.893 4.527 -0.006 0.000 0.336 1331 F C -1.254 174.428 175.800 -0.197 0.000 1.100 1331 F CA -2.372 55.372 58.000 -0.427 0.000 1.116 1331 F CB 1.587 40.109 39.000 -0.796 0.000 1.166 1331 F HN -0.066 nan 8.300 nan 0.000 0.511 1332 P HA -0.191 nan 4.420 nan 0.000 0.214 1332 P C 1.409 178.836 177.300 0.212 0.000 1.172 1332 P CA 1.972 65.181 63.100 0.181 0.000 0.925 1332 P CB 0.025 31.903 31.700 0.297 0.000 0.793 1333 G N -2.895 106.104 108.800 0.332 0.000 3.181 1333 G HA2 0.287 4.243 3.960 -0.006 0.000 0.219 1333 G HA3 0.287 4.243 3.960 -0.006 0.000 0.219 1333 G C 0.929 175.977 174.900 0.247 0.000 1.182 1333 G CA 0.907 46.168 45.100 0.268 0.000 0.791 1333 G HN 0.504 nan 8.290 nan 0.000 0.537 1334 K N -0.048 120.485 120.400 0.222 0.000 2.554 1334 K HA -0.346 3.971 4.320 -0.006 0.000 0.167 1334 K C 1.745 178.408 176.600 0.106 0.000 0.814 1334 K CA 1.883 58.276 56.287 0.177 0.000 0.416 1334 K CB -1.799 30.873 32.500 0.287 0.000 0.752 1334 K HN 0.399 nan 8.250 nan 0.000 0.770 1335 L N 1.854 123.175 121.223 0.162 0.000 2.291 1335 L HA -0.009 4.327 4.340 -0.006 0.000 0.214 1335 L C 1.870 178.884 176.870 0.241 0.000 1.120 1335 L CA 1.278 56.200 54.840 0.137 0.000 0.799 1335 L CB -0.146 41.977 42.059 0.106 0.000 0.925 1335 L HN 0.706 nan 8.230 nan 0.000 0.446 1336 D N -0.261 120.281 120.400 0.236 0.000 2.355 1336 D HA -0.054 4.582 4.640 -0.006 0.000 0.218 1336 D C 0.506 176.946 176.300 0.234 0.000 1.004 1336 D CA 0.224 54.342 54.000 0.196 0.000 0.880 1336 D CB 0.059 40.950 40.800 0.153 0.000 0.911 1336 D HN 0.096 nan 8.370 nan 0.000 0.528 1337 F N 2.210 122.289 119.950 0.214 0.000 2.506 1337 F HA 0.067 4.591 4.527 -0.006 0.000 0.371 1337 F C 0.277 176.144 175.800 0.112 0.000 1.078 1337 F CA -0.515 57.612 58.000 0.212 0.000 1.195 1337 F CB 0.600 39.782 39.000 0.303 0.000 1.099 1337 F HN -0.361 nan 8.300 nan 0.000 0.548 1338 V N 7.133 126.733 119.914 -0.523 0.000 2.583 1338 V HA 0.085 4.202 4.120 -0.006 0.000 0.287 1338 V C 0.106 175.861 176.094 -0.565 0.000 1.051 1338 V CA -0.796 61.243 62.300 -0.436 0.000 1.010 1338 V CB 1.064 32.683 31.823 -0.339 0.000 0.988 1338 V HN 0.394 nan 8.190 nan 0.000 0.478 1339 L N 6.112 127.098 121.223 -0.396 0.000 2.255 1339 L HA 0.354 4.691 4.340 -0.006 0.000 0.289 1339 L C 0.166 176.892 176.870 -0.239 0.000 1.046 1339 L CA 0.087 54.723 54.840 -0.339 0.000 0.816 1339 L CB 1.056 42.873 42.059 -0.404 0.000 1.197 1339 L HN 0.634 nan 8.230 nan 0.000 0.427 1340 V N 0.754 120.553 119.914 -0.193 0.000 2.881 1340 V HA 0.354 4.471 4.120 -0.006 0.000 0.303 1340 V C 0.334 176.361 176.094 -0.110 0.000 1.070 1340 V CA -0.851 61.368 62.300 -0.134 0.000 1.074 1340 V CB 0.741 32.502 31.823 -0.103 0.000 1.012 1340 V HN 0.855 nan 8.190 nan 0.000 0.482 1341 D N 3.027 123.372 120.400 -0.091 0.000 2.904 1341 D HA -0.162 4.474 4.640 -0.006 0.000 0.231 1341 D C 1.024 177.257 176.300 -0.113 0.000 1.185 1341 D CA 1.695 55.647 54.000 -0.079 0.000 0.783 1341 D CB -1.163 39.607 40.800 -0.050 0.000 0.961 1341 D HN 1.801 nan 8.370 nan 0.000 0.409 1342 G N 0.679 109.378 108.800 -0.168 0.000 2.574 1342 G HA2 -0.207 3.750 3.960 -0.006 0.000 0.301 1342 G HA3 -0.207 3.750 3.960 -0.006 0.000 0.301 1342 G C 0.682 175.439 174.900 -0.239 0.000 1.166 1342 G CA 0.671 45.616 45.100 -0.260 0.000 0.971 1342 G HN 1.227 nan 8.290 nan 0.000 0.542 1343 G N -1.122 107.557 108.800 -0.203 0.000 4.803 1343 G HA2 0.478 4.434 3.960 -0.006 0.000 0.266 1343 G HA3 0.478 4.434 3.960 -0.006 0.000 0.266 1343 G C 1.172 176.012 174.900 -0.101 0.000 1.111 1343 G CA 1.206 46.198 45.100 -0.180 0.000 0.874 1343 G HN 1.870 nan 8.290 nan 0.000 0.555 1344 C N -0.559 118.698 119.300 -0.072 0.000 2.409 1344 C HA -0.084 4.373 4.460 -0.006 0.000 0.284 1344 C C 2.721 177.715 174.990 0.006 0.000 1.354 1344 C CA 1.099 60.102 59.018 -0.024 0.000 1.787 1344 C CB -1.446 26.283 27.740 -0.019 0.000 1.900 1344 C HN 0.513 nan 8.230 nan 0.000 0.520 1345 V N -0.373 119.550 119.914 0.014 0.000 2.719 1345 V HA 0.171 4.288 4.120 -0.006 0.000 0.252 1345 V C 1.258 177.390 176.094 0.063 0.000 1.065 1345 V CA 0.647 62.986 62.300 0.066 0.000 1.086 1345 V CB -1.012 30.893 31.823 0.138 0.000 0.700 1345 V HN 0.600 nan 8.190 nan 0.000 0.467 1346 L N 2.601 123.838 121.223 0.024 0.000 2.439 1346 L HA 0.361 4.697 4.340 -0.006 0.000 0.269 1346 L C 0.954 177.834 176.870 0.017 0.000 1.179 1346 L CA 0.380 55.230 54.840 0.017 0.000 0.828 1346 L CB 0.875 42.941 42.059 0.011 0.000 1.106 1346 L HN 0.448 nan 8.230 nan 0.000 0.467 1347 S N -0.484 115.212 115.700 -0.007 0.000 2.614 1347 S HA 0.036 4.503 4.470 -0.006 0.000 0.265 1347 S C 0.863 175.547 174.600 0.139 0.000 1.303 1347 S CA -0.330 57.912 58.200 0.071 0.000 1.000 1347 S CB 0.691 63.930 63.200 0.065 0.000 0.935 1347 S HN 0.678 nan 8.310 nan 0.000 0.551 1348 H N 1.385 120.501 119.070 0.078 0.000 2.521 1348 H HA 0.133 4.686 4.556 -0.006 0.000 0.286 1348 H C 1.981 177.369 175.328 0.100 0.000 1.034 1348 H CA 1.665 57.757 56.048 0.074 0.000 1.278 1348 H CB -0.547 29.248 29.762 0.054 0.000 1.386 1348 H HN 0.797 nan 8.280 nan 0.000 0.567 1349 G N -1.345 107.586 108.800 0.219 0.000 2.396 1349 G HA2 -0.182 3.775 3.960 -0.006 0.000 0.214 1349 G HA3 -0.182 3.775 3.960 -0.006 0.000 0.214 1349 G C 1.273 176.247 174.900 0.124 0.000 1.166 1349 G CA 0.354 45.557 45.100 0.170 0.000 0.793 1349 G HN 0.496 nan 8.290 nan 0.000 0.533 1350 H N 0.629 119.727 119.070 0.046 0.000 2.457 1350 H HA 0.033 4.585 4.556 -0.006 0.000 0.294 1350 H C 2.393 177.724 175.328 0.005 0.000 1.064 1350 H CA 1.017 57.095 56.048 0.049 0.000 1.330 1350 H CB 0.286 30.105 29.762 0.094 0.000 1.395 1350 H HN 0.344 nan 8.280 nan 0.000 0.541 1351 K N 0.499 120.934 120.400 0.059 0.000 2.148 1351 K HA -0.106 4.210 4.320 -0.006 0.000 0.204 1351 K C 2.133 178.683 176.600 -0.083 0.000 1.050 1351 K CA 0.712 56.951 56.287 -0.081 0.000 0.942 1351 K CB 0.147 32.491 32.500 -0.261 0.000 0.724 1351 K HN 0.241 nan 8.250 nan 0.000 0.446 1352 Q N 0.467 120.233 119.800 -0.058 0.000 2.187 1352 Q HA -0.050 4.287 4.340 -0.006 0.000 0.199 1352 Q C 2.096 178.082 176.000 -0.022 0.000 0.957 1352 Q CA 0.780 56.566 55.803 -0.029 0.000 0.857 1352 Q CB -0.047 28.700 28.738 0.015 0.000 0.929 1352 Q HN 0.183 nan 8.270 nan 0.000 0.453 1353 L N 0.013 121.223 121.223 -0.023 0.000 2.217 1353 L HA -0.037 4.299 4.340 -0.006 0.000 0.211 1353 L C 2.081 178.944 176.870 -0.011 0.000 1.107 1353 L CA 1.339 56.158 54.840 -0.035 0.000 0.783 1353 L CB -0.243 41.763 42.059 -0.088 0.000 0.919 1353 L HN 0.169 nan 8.230 nan 0.000 0.442 1354 M N -2.881 116.722 119.600 0.005 0.000 2.288 1354 M HA -0.172 4.304 4.480 -0.006 0.000 0.266 1354 M C 2.502 178.805 176.300 0.005 0.000 1.072 1354 M CA 0.974 56.284 55.300 0.016 0.000 1.132 1354 M CB -0.491 32.125 32.600 0.027 0.000 1.386 1354 M HN 0.446 nan 8.290 nan 0.000 0.432 1355 C N 0.781 120.077 119.300 -0.008 0.000 2.432 1355 C HA -0.152 4.304 4.460 -0.006 0.000 0.277 1355 C C 2.612 177.600 174.990 -0.003 0.000 1.249 1355 C CA 1.019 60.034 59.018 -0.004 0.000 1.725 1355 C CB -0.915 26.817 27.740 -0.013 0.000 2.028 1355 C HN 0.566 nan 8.230 nan 0.000 0.477 1356 L N 2.153 123.365 121.223 -0.017 0.000 2.017 1356 L HA 0.083 4.419 4.340 -0.006 0.000 0.208 1356 L C 2.698 179.577 176.870 0.015 0.000 1.073 1356 L CA 2.606 57.428 54.840 -0.029 0.000 0.745 1356 L CB -1.088 40.925 42.059 -0.076 0.000 0.894 1356 L HN 0.376 nan 8.230 nan 0.000 0.432 1357 A N -0.331 122.502 122.820 0.022 0.000 1.917 1357 A HA -0.299 4.017 4.320 -0.006 0.000 0.219 1357 A C 2.570 180.150 177.584 -0.006 0.000 1.182 1357 A CA 2.102 54.152 52.037 0.021 0.000 0.633 1357 A CB -0.750 18.250 19.000 -0.000 0.000 0.819 1357 A HN 0.535 nan 8.150 nan 0.000 0.448 1358 R N -0.414 120.085 120.500 -0.002 0.000 2.081 1358 R HA -0.098 4.239 4.340 -0.006 0.000 0.235 1358 R C 2.348 178.647 176.300 -0.002 0.000 1.131 1358 R CA 1.721 57.818 56.100 -0.004 0.000 0.960 1358 R CB -0.259 30.064 30.300 0.038 0.000 0.856 1358 R HN 0.526 nan 8.270 nan 0.000 0.436 1359 S N -0.049 115.659 115.700 0.013 0.000 2.368 1359 S HA -0.091 4.375 4.470 -0.006 0.000 0.224 1359 S C 1.936 176.542 174.600 0.010 0.000 1.029 1359 S CA 1.303 59.511 58.200 0.014 0.000 0.988 1359 S CB -0.083 63.124 63.200 0.011 0.000 0.838 1359 S HN 0.147 nan 8.310 nan 0.000 0.462 1360 V N 1.727 121.662 119.914 0.035 0.000 2.343 1360 V HA -0.117 3.999 4.120 -0.006 0.000 0.247 1360 V C 2.205 178.296 176.094 -0.005 0.000 1.051 1360 V CA 1.286 63.620 62.300 0.057 0.000 1.036 1360 V CB -0.650 31.267 31.823 0.156 0.000 0.654 1360 V HN 0.322 nan 8.190 nan 0.000 0.451 1361 L N 0.123 121.313 121.223 -0.056 0.000 2.187 1361 L HA -0.094 4.242 4.340 -0.006 0.000 0.213 1361 L C 2.194 179.020 176.870 -0.072 0.000 1.100 1361 L CA 1.912 56.650 54.840 -0.170 0.000 0.765 1361 L CB -0.306 41.548 42.059 -0.341 0.000 0.904 1361 L HN 0.312 nan 8.230 nan 0.000 0.437 1362 S N -0.577 115.118 115.700 -0.010 0.000 2.679 1362 S HA 0.243 4.709 4.470 -0.006 0.000 0.233 1362 S C 1.173 175.780 174.600 0.013 0.000 0.951 1362 S CA 0.658 58.887 58.200 0.047 0.000 0.973 1362 S CB -0.573 62.656 63.200 0.049 0.000 0.778 1362 S HN 0.488 nan 8.310 nan 0.000 0.477 1363 K N -1.044 119.353 120.400 -0.004 0.000 3.500 1363 K HA -0.167 4.149 4.320 -0.006 0.000 0.313 1363 K C 0.331 176.852 176.600 -0.133 0.000 1.338 1363 K CA 1.325 57.580 56.287 -0.053 0.000 0.963 1363 K CB -3.042 29.430 32.500 -0.047 0.000 1.267 1363 K HN 1.459 nan 8.250 nan 0.000 0.448 1364 A N -0.241 122.508 122.820 -0.117 0.000 2.567 1364 A HA 0.538 4.854 4.320 -0.006 0.000 0.240 1364 A C 1.614 179.095 177.584 -0.171 0.000 1.053 1364 A CA 1.573 53.502 52.037 -0.180 0.000 0.755 1364 A CB 0.070 19.009 19.000 -0.101 0.000 0.978 1364 A HN 1.951 nan 8.150 nan 0.000 0.507 1365 K N 2.326 122.548 120.400 -0.295 0.000 2.435 1365 K HA 0.449 4.766 4.320 -0.006 0.000 0.199 1365 K C 0.230 176.693 176.600 -0.228 0.000 1.153 1365 K CA 0.821 56.964 56.287 -0.239 0.000 0.974 1365 K CB -0.007 32.305 32.500 -0.314 0.000 0.997 1365 K HN 0.769 nan 8.250 nan 0.000 0.547 1366 I N 1.971 122.336 120.570 -0.342 0.000 2.339 1366 I HA 0.420 4.586 4.170 -0.006 0.000 0.290 1366 I C -0.940 175.130 176.117 -0.077 0.000 0.994 1366 I CA -1.151 59.993 61.300 -0.259 0.000 1.191 1366 I CB 1.727 39.443 38.000 -0.474 0.000 1.343 1366 I HN 0.014 nan 8.210 nan 0.000 0.458 1367 L N 7.366 128.570 121.223 -0.032 0.000 2.307 1367 L HA 0.525 4.861 4.340 -0.006 0.000 0.284 1367 L C -0.539 176.353 176.870 0.038 0.000 1.023 1367 L CA -0.202 54.632 54.840 -0.010 0.000 0.810 1367 L CB 1.367 43.377 42.059 -0.081 0.000 1.231 1367 L HN 0.422 nan 8.230 nan 0.000 0.423 1368 L N 4.752 126.011 121.223 0.060 0.000 2.316 1368 L HA 0.441 4.777 4.340 -0.006 0.000 0.280 1368 L C -0.965 175.930 176.870 0.041 0.000 1.006 1368 L CA -0.506 54.382 54.840 0.079 0.000 0.836 1368 L CB 1.243 43.368 42.059 0.110 0.000 1.221 1368 L HN 0.315 nan 8.230 nan 0.000 0.418 1369 L N 3.459 124.708 121.223 0.042 0.000 2.321 1369 L HA 0.280 4.616 4.340 -0.006 0.000 0.272 1369 L C -0.163 176.724 176.870 0.027 0.000 1.050 1369 L CA 0.067 54.925 54.840 0.030 0.000 0.893 1369 L CB 1.031 43.120 42.059 0.049 0.000 1.272 1369 L HN 0.546 nan 8.230 nan 0.000 0.435 1370 D N 4.808 125.194 120.400 -0.024 0.000 2.483 1370 D HA 0.103 4.739 4.640 -0.006 0.000 0.220 1370 D C 0.248 176.477 176.300 -0.119 0.000 1.173 1370 D CA 0.113 54.082 54.000 -0.052 0.000 0.964 1370 D CB 0.258 41.011 40.800 -0.078 0.000 1.046 1370 D HN 0.500 nan 8.370 nan 0.000 0.517 1371 E N 1.900 122.098 120.200 -0.003 0.000 2.246 1371 E HA -0.176 4.170 4.350 -0.006 0.000 0.211 1371 E C -1.696 174.933 176.600 0.049 0.000 1.278 1371 E CA -0.042 56.388 56.400 0.050 0.000 0.694 1371 E CB -0.509 29.270 29.700 0.133 0.000 1.166 1371 E HN 0.483 nan 8.360 nan 0.000 0.370 1372 P HA -0.256 nan 4.420 nan 0.000 0.215 1372 P C 1.604 178.865 177.300 -0.064 0.000 1.153 1372 P CA 1.997 65.156 63.100 0.097 0.000 0.853 1372 P CB -0.027 31.843 31.700 0.283 0.000 0.788 1373 S N 0.327 115.736 115.700 -0.486 0.000 2.382 1373 S HA -0.073 4.393 4.470 -0.006 0.000 0.228 1373 S C 2.261 176.663 174.600 -0.329 0.000 1.027 1373 S CA 1.214 58.848 58.200 -0.942 0.000 0.991 1373 S CB -1.437 61.127 63.200 -1.060 0.000 0.823 1373 S HN 0.164 nan 8.310 nan 0.000 0.469 1374 A N 0.950 123.698 122.820 -0.119 0.000 2.016 1374 A HA 0.088 4.405 4.320 -0.006 0.000 0.217 1374 A C 1.894 179.452 177.584 -0.042 0.000 1.162 1374 A CA 1.274 53.285 52.037 -0.043 0.000 0.662 1374 A CB -0.658 18.356 19.000 0.023 0.000 0.812 1374 A HN 0.654 nan 8.150 nan 0.000 0.450 1375 H N -0.944 118.092 119.070 -0.057 0.000 2.388 1375 H HA 0.362 4.914 4.556 -0.006 0.000 0.304 1375 H C 0.426 175.755 175.328 0.001 0.000 1.049 1375 H CA 0.473 56.512 56.048 -0.015 0.000 1.371 1375 H CB -0.030 29.740 29.762 0.014 0.000 1.436 1375 H HN 0.302 nan 8.280 nan 0.000 0.544 1376 L N 2.291 123.599 121.223 0.142 0.000 2.399 1376 L HA 0.159 4.496 4.340 -0.006 0.000 0.266 1376 L C 0.343 177.262 176.870 0.081 0.000 1.114 1376 L CA -0.859 54.061 54.840 0.132 0.000 0.804 1376 L CB 0.724 42.899 42.059 0.193 0.000 1.146 1376 L HN 0.364 nan 8.230 nan 0.000 0.451 1377 D N 1.037 121.492 120.400 0.090 0.000 2.362 1377 D HA 0.096 4.733 4.640 -0.006 0.000 0.242 1377 D C -2.142 174.223 176.300 0.108 0.000 1.132 1377 D CA -1.356 52.685 54.000 0.069 0.000 0.907 1377 D CB 1.151 41.987 40.800 0.060 0.000 1.195 1377 D HN 0.167 nan 8.370 nan 0.000 0.429 1378 P HA -0.233 nan 4.420 nan 0.000 0.209 1378 P C 1.005 178.391 177.300 0.143 0.000 1.080 1378 P CA 1.654 64.824 63.100 0.117 0.000 0.971 1378 P CB -0.273 31.470 31.700 0.071 0.000 0.768 1379 V N -3.803 116.172 119.914 0.102 0.000 2.248 1379 V HA 0.216 4.333 4.120 -0.006 0.000 0.309 1379 V C 0.652 176.806 176.094 0.099 0.000 1.722 1379 V CA 1.015 63.368 62.300 0.089 0.000 1.693 1379 V CB -1.069 30.796 31.823 0.070 0.000 1.470 1379 V HN 0.128 nan 8.190 nan 0.000 0.518 1380 T N -0.818 113.808 114.554 0.119 0.000 3.689 1380 T HA 0.050 4.397 4.350 -0.006 0.000 0.293 1380 T C 1.035 175.805 174.700 0.116 0.000 0.955 1380 T CA 0.705 62.872 62.100 0.112 0.000 1.130 1380 T CB -0.422 68.529 68.868 0.139 0.000 1.138 1380 T HN 0.472 nan 8.240 nan 0.000 0.477 1381 Y N 3.022 123.345 120.300 0.039 0.000 2.151 1381 Y HA -0.155 4.391 4.550 -0.006 0.000 0.284 1381 Y C 2.780 178.692 175.900 0.021 0.000 1.166 1381 Y CA 2.811 60.929 58.100 0.030 0.000 1.163 1381 Y CB -0.818 37.666 38.460 0.039 0.000 0.974 1381 Y HN 0.271 nan 8.280 nan 0.000 0.511 1382 Q N 0.782 120.541 119.800 -0.068 0.000 2.124 1382 Q HA -0.118 4.219 4.340 -0.006 0.000 0.202 1382 Q C 2.217 178.138 176.000 -0.131 0.000 0.977 1382 Q CA 2.387 58.102 55.803 -0.146 0.000 0.850 1382 Q CB -1.286 27.451 28.738 -0.002 0.000 0.901 1382 Q HN 0.790 nan 8.270 nan 0.000 0.429 1383 I N -0.113 120.417 120.570 -0.066 0.000 2.286 1383 I HA -0.158 4.008 4.170 -0.006 0.000 0.245 1383 I C 2.255 178.322 176.117 -0.082 0.000 1.104 1383 I CA 0.615 61.883 61.300 -0.055 0.000 1.397 1383 I CB -0.296 37.687 38.000 -0.027 0.000 1.072 1383 I HN 0.262 nan 8.210 nan 0.000 0.417 1384 I N 1.883 122.394 120.570 -0.098 0.000 2.127 1384 I HA -0.283 3.883 4.170 -0.006 0.000 0.241 1384 I C 2.840 178.865 176.117 -0.154 0.000 1.075 1384 I CA 1.892 63.125 61.300 -0.112 0.000 1.334 1384 I CB -1.242 36.714 38.000 -0.074 0.000 1.040 1384 I HN 0.422 nan 8.210 nan 0.000 0.405 1385 R N 1.057 121.414 120.500 -0.238 0.000 2.115 1385 R HA -0.110 4.227 4.340 -0.006 0.000 0.230 1385 R C 2.402 178.627 176.300 -0.124 0.000 1.111 1385 R CA 1.558 57.527 56.100 -0.217 0.000 0.976 1385 R CB -0.907 29.186 30.300 -0.345 0.000 0.870 1385 R HN 0.300 nan 8.270 nan 0.000 0.445 1386 R N 1.350 121.785 120.500 -0.108 0.000 2.092 1386 R HA -0.019 4.318 4.340 -0.006 0.000 0.231 1386 R C 2.264 178.558 176.300 -0.009 0.000 1.119 1386 R CA 1.936 58.005 56.100 -0.051 0.000 0.970 1386 R CB -1.728 28.545 30.300 -0.045 0.000 0.864 1386 R HN 0.498 nan 8.270 nan 0.000 0.440 1387 T N 1.280 115.829 114.554 -0.009 0.000 2.857 1387 T HA 0.029 4.375 4.350 -0.006 0.000 0.266 1387 T C 1.901 176.693 174.700 0.153 0.000 1.048 1387 T CA 0.905 63.043 62.100 0.064 0.000 1.139 1387 T CB -0.074 68.814 68.868 0.033 0.000 0.874 1387 T HN 0.140 nan 8.240 nan 0.000 0.455 1388 L N 1.295 122.530 121.223 0.019 0.000 2.141 1388 L HA -0.052 4.284 4.340 -0.006 0.000 0.209 1388 L C 3.028 179.964 176.870 0.111 0.000 1.094 1388 L CA 1.900 56.760 54.840 0.033 0.000 0.763 1388 L CB -1.336 40.670 42.059 -0.089 0.000 0.908 1388 L HN 0.375 nan 8.230 nan 0.000 0.437 1389 K N -0.373 120.058 120.400 0.053 0.000 2.217 1389 K HA -0.056 4.260 4.320 -0.006 0.000 0.202 1389 K C 2.010 178.641 176.600 0.051 0.000 1.051 1389 K CA 1.363 57.673 56.287 0.039 0.000 0.952 1389 K CB -0.915 31.590 32.500 0.008 0.000 0.736 1389 K HN 0.518 nan 8.250 nan 0.000 0.453 1390 Q N -0.267 119.576 119.800 0.072 0.000 1.808 1390 Q HA 0.557 4.894 4.340 -0.006 0.000 0.286 1390 Q C 2.495 178.506 176.000 0.019 0.000 0.955 1390 Q CA 1.340 57.170 55.803 0.045 0.000 0.877 1390 Q CB -0.949 27.816 28.738 0.044 0.000 0.917 1390 Q HN 1.002 nan 8.270 nan 0.000 0.436 1391 A N -1.292 121.526 122.820 -0.003 0.000 2.302 1391 A HA 0.509 4.825 4.320 -0.006 0.000 0.219 1391 A C 0.250 177.534 177.584 -0.501 0.000 1.243 1391 A CA -0.022 51.874 52.037 -0.235 0.000 0.856 1391 A CB -0.186 18.621 19.000 -0.322 0.000 0.893 1391 A HN 0.505 nan 8.150 nan 0.000 0.491 1392 F N -1.537 118.392 119.950 -0.035 0.000 2.841 1392 F HA 0.386 4.910 4.527 -0.006 0.000 0.358 1392 F C 1.637 177.413 175.800 -0.041 0.000 1.261 1392 F CA 0.099 58.074 58.000 -0.042 0.000 1.233 1392 F CB 0.276 39.250 39.000 -0.044 0.000 1.008 1392 F HN 0.203 nan 8.300 nan 0.000 0.507 1393 A N -0.241 122.612 122.820 0.055 0.000 1.968 1393 A HA -0.018 4.299 4.320 -0.006 0.000 0.217 1393 A C 1.684 179.276 177.584 0.013 0.000 1.169 1393 A CA 1.812 53.867 52.037 0.029 0.000 0.638 1393 A CB -0.964 18.037 19.000 0.002 0.000 0.812 1393 A HN 0.433 nan 8.150 nan 0.000 0.446 1394 D N -1.492 118.903 120.400 -0.007 0.000 2.460 1394 D HA 0.425 5.062 4.640 -0.006 0.000 0.229 1394 D C -0.103 176.187 176.300 -0.017 0.000 1.170 1394 D CA 0.156 54.143 54.000 -0.022 0.000 0.827 1394 D CB -0.675 40.098 40.800 -0.044 0.000 0.973 1394 D HN 0.397 nan 8.370 nan 0.000 0.496 1395 C N 0.627 119.940 119.300 0.022 0.000 2.411 1395 C HA 0.621 5.077 4.460 -0.006 0.000 0.330 1395 C C 0.744 175.730 174.990 -0.007 0.000 1.224 1395 C CA -0.513 58.518 59.018 0.022 0.000 1.770 1395 C CB 1.447 29.265 27.740 0.130 0.000 2.297 1395 C HN 0.441 nan 8.230 nan 0.000 0.507 1396 T N 3.444 117.969 114.554 -0.048 0.000 2.743 1396 T HA 0.291 4.638 4.350 -0.006 0.000 0.290 1396 T C -0.039 174.635 174.700 -0.042 0.000 0.908 1396 T CA 0.040 62.108 62.100 -0.053 0.000 1.092 1396 T CB -0.049 68.767 68.868 -0.087 0.000 0.882 1396 T HN 0.461 nan 8.240 nan 0.000 0.531 1397 V N 5.784 125.683 119.914 -0.024 0.000 2.398 1397 V HA 0.446 4.562 4.120 -0.006 0.000 0.286 1397 V C 0.176 176.270 176.094 -0.001 0.000 1.026 1397 V CA -0.846 61.444 62.300 -0.017 0.000 0.868 1397 V CB 1.432 33.242 31.823 -0.021 0.000 0.982 1397 V HN 0.776 nan 8.190 nan 0.000 0.443 1398 I N 5.969 126.555 120.570 0.028 0.000 2.388 1398 I HA 0.324 4.491 4.170 -0.006 0.000 0.281 1398 I C -0.618 175.539 176.117 0.067 0.000 1.046 1398 I CA -0.441 60.897 61.300 0.063 0.000 1.187 1398 I CB 1.334 39.413 38.000 0.131 0.000 1.351 1398 I HN 0.406 nan 8.210 nan 0.000 0.472 1399 L N 7.532 128.786 121.223 0.052 0.000 2.275 1399 L HA 0.468 4.804 4.340 -0.006 0.000 0.288 1399 L C -0.587 176.344 176.870 0.101 0.000 1.046 1399 L CA -0.026 54.857 54.840 0.072 0.000 0.805 1399 L CB 1.231 43.331 42.059 0.068 0.000 1.193 1399 L HN 0.715 nan 8.230 nan 0.000 0.426 1400 C N 6.261 125.624 119.300 0.106 0.000 2.293 1400 C HA 0.739 5.195 4.460 -0.006 0.000 0.323 1400 C C -0.640 174.429 174.990 0.131 0.000 1.240 1400 C CA -0.322 58.766 59.018 0.117 0.000 1.497 1400 C CB -0.057 27.738 27.740 0.092 0.000 2.171 1400 C HN 0.895 nan 8.230 nan 0.000 0.465 1401 E N 2.794 123.100 120.200 0.176 0.000 2.367 1401 E HA 0.446 4.792 4.350 -0.006 0.000 0.273 1401 E C 0.132 176.878 176.600 0.243 0.000 0.903 1401 E CA -0.326 56.180 56.400 0.177 0.000 0.764 1401 E CB 2.133 31.936 29.700 0.171 0.000 1.252 1401 E HN 0.683 nan 8.360 nan 0.000 0.446 1402 A N 2.062 124.987 122.820 0.175 0.000 2.123 1402 A HA 0.039 4.355 4.320 -0.006 0.000 0.214 1402 A C 0.758 178.381 177.584 0.065 0.000 1.152 1402 A CA 0.835 52.981 52.037 0.182 0.000 0.728 1402 A CB 0.212 19.270 19.000 0.095 0.000 0.814 1402 A HN 0.300 nan 8.150 nan 0.000 0.464 1403 R N -1.437 119.074 120.500 0.019 0.000 2.740 1403 R HA 0.468 4.804 4.340 -0.006 0.000 0.282 1403 R C 0.244 176.535 176.300 -0.016 0.000 0.969 1403 R CA -0.742 55.272 56.100 -0.143 0.000 0.918 1403 R CB 1.313 31.552 30.300 -0.102 0.000 1.175 1403 R HN 0.144 nan 8.270 nan 0.000 0.464 1404 I N 1.963 122.463 120.570 -0.116 0.000 2.546 1404 I HA -0.122 4.044 4.170 -0.006 0.000 0.255 1404 I C 1.307 177.471 176.117 0.079 0.000 1.163 1404 I CA 1.557 62.904 61.300 0.079 0.000 1.457 1404 I CB 0.052 38.069 38.000 0.029 0.000 1.092 1404 I HN 0.611 nan 8.210 nan 0.000 0.434 1405 E N 0.652 120.863 120.200 0.019 0.000 2.267 1405 E HA -0.116 4.230 4.350 -0.006 0.000 0.197 1405 E C 2.058 178.712 176.600 0.089 0.000 0.998 1405 E CA 1.216 57.639 56.400 0.039 0.000 0.830 1405 E CB -0.397 29.307 29.700 0.008 0.000 0.751 1405 E HN 0.574 nan 8.360 nan 0.000 0.491 1406 A N -0.307 122.583 122.820 0.117 0.000 2.238 1406 A HA 0.075 4.392 4.320 -0.006 0.000 0.210 1406 A C 1.491 179.189 177.584 0.190 0.000 1.179 1406 A CA 0.361 52.503 52.037 0.174 0.000 0.827 1406 A CB 0.130 19.238 19.000 0.180 0.000 0.856 1406 A HN 0.092 nan 8.150 nan 0.000 0.488 1407 M N -0.500 119.224 119.600 0.206 0.000 2.333 1407 M HA 0.270 4.747 4.480 -0.006 0.000 0.257 1407 M C 1.019 177.487 176.300 0.281 0.000 1.078 1407 M CA 0.276 55.738 55.300 0.270 0.000 1.005 1407 M CB -0.359 32.495 32.600 0.424 0.000 1.444 1407 M HN 0.319 nan 8.290 nan 0.000 0.496 1408 L N 0.522 121.865 121.223 0.200 0.000 2.261 1408 L HA -0.173 4.164 4.340 -0.006 0.000 0.216 1408 L C 2.035 178.995 176.870 0.150 0.000 1.114 1408 L CA 0.988 55.933 54.840 0.176 0.000 0.777 1408 L CB -0.375 41.746 42.059 0.104 0.000 0.910 1408 L HN 0.313 nan 8.230 nan 0.000 0.440 1409 E N -0.849 119.414 120.200 0.104 0.000 2.474 1409 E HA 0.040 4.386 4.350 -0.006 0.000 0.194 1409 E C 0.647 177.254 176.600 0.011 0.000 1.041 1409 E CA -0.004 56.428 56.400 0.053 0.000 0.874 1409 E CB 0.032 29.750 29.700 0.030 0.000 0.914 1409 E HN 0.418 nan 8.360 nan 0.000 0.498 1410 C N 2.501 121.783 119.300 -0.030 0.000 2.662 1410 C HA 0.032 4.488 4.460 -0.006 0.000 0.420 1410 C C 1.719 176.579 174.990 -0.216 0.000 1.314 1410 C CA -0.553 58.325 59.018 -0.233 0.000 1.963 1410 C CB 0.267 27.623 27.740 -0.641 0.000 2.686 1410 C HN 0.369 nan 8.230 nan 0.000 0.609 1411 D N 0.267 120.556 120.400 -0.185 0.000 2.213 1411 D HA -0.004 4.632 4.640 -0.006 0.000 0.205 1411 D C 0.719 176.947 176.300 -0.119 0.000 0.961 1411 D CA 1.100 55.043 54.000 -0.095 0.000 0.853 1411 D CB 0.266 41.036 40.800 -0.051 0.000 0.967 1411 D HN 0.678 nan 8.370 nan 0.000 0.496 1412 Q N -1.143 118.486 119.800 -0.286 0.000 2.456 1412 Q HA 0.478 4.815 4.340 -0.006 0.000 0.284 1412 Q C -1.764 173.937 176.000 -0.499 0.000 1.061 1412 Q CA -0.634 55.051 55.803 -0.196 0.000 0.799 1412 Q CB 2.086 30.791 28.738 -0.054 0.000 1.445 1412 Q HN -0.165 nan 8.270 nan 0.000 0.411 1413 F N 1.373 121.392 119.950 0.114 0.000 2.561 1413 F HA 0.495 5.019 4.527 -0.006 0.000 0.313 1413 F C -0.895 174.979 175.800 0.125 0.000 1.126 1413 F CA -0.554 57.506 58.000 0.099 0.000 0.918 1413 F CB 1.452 40.498 39.000 0.077 0.000 1.199 1413 F HN 0.263 nan 8.300 nan 0.000 0.444 1414 L N 4.163 125.513 121.223 0.212 0.000 2.313 1414 L HA 0.719 5.056 4.340 -0.006 0.000 0.283 1414 L C -0.960 175.974 176.870 0.107 0.000 1.013 1414 L CA -1.054 53.844 54.840 0.097 0.000 0.816 1414 L CB 1.915 43.897 42.059 -0.129 0.000 1.236 1414 L HN 0.285 nan 8.230 nan 0.000 0.419 1415 V N 4.722 124.728 119.914 0.154 0.000 2.357 1415 V HA 0.368 4.485 4.120 -0.006 0.000 0.284 1415 V C 0.217 176.345 176.094 0.056 0.000 1.018 1415 V CA -0.387 61.991 62.300 0.129 0.000 0.841 1415 V CB 1.824 33.801 31.823 0.257 0.000 0.991 1415 V HN 0.515 nan 8.190 nan 0.000 0.437 1416 I N 5.357 125.918 120.570 -0.015 0.000 2.347 1416 I HA 0.263 4.429 4.170 -0.006 0.000 0.294 1416 I C 0.782 176.867 176.117 -0.053 0.000 1.090 1416 I CA 0.160 61.436 61.300 -0.041 0.000 1.314 1416 I CB 0.264 38.226 38.000 -0.064 0.000 1.423 1416 I HN 0.692 nan 8.210 nan 0.000 0.503 1417 E N 3.978 124.173 120.200 -0.009 0.000 3.552 1417 E HA 0.385 4.731 4.350 -0.006 0.000 0.264 1417 E C 0.356 176.947 176.600 -0.015 0.000 1.170 1417 E CA -0.680 55.715 56.400 -0.008 0.000 1.313 1417 E CB 0.348 30.076 29.700 0.047 0.000 1.522 1417 E HN 0.615 nan 8.360 nan 0.000 0.653 1418 E N 0.134 120.332 120.200 -0.002 0.000 2.166 1418 E HA 0.288 4.634 4.350 -0.006 0.000 0.279 1418 E C 0.383 176.992 176.600 0.015 0.000 1.095 1418 E CA 0.506 56.907 56.400 0.001 0.000 0.888 1418 E CB -1.361 28.343 29.700 0.005 0.000 1.041 1418 E HN 0.707 nan 8.360 nan 0.000 0.414 1419 N N 2.094 120.802 118.700 0.014 0.000 2.708 1419 N HA -0.215 4.521 4.740 -0.006 0.000 0.249 1419 N C 0.277 175.807 175.510 0.034 0.000 1.097 1419 N CA 1.874 54.938 53.050 0.024 0.000 0.710 1419 N CB -1.687 36.815 38.487 0.023 0.000 1.032 1419 N HN 0.883 nan 8.380 nan 0.000 0.551 1420 K N -0.481 119.940 120.400 0.035 0.000 2.570 1420 K HA 0.524 4.841 4.320 -0.006 0.000 0.256 1420 K C -1.812 174.814 176.600 0.044 0.000 0.939 1420 K CA -0.377 55.938 56.287 0.046 0.000 0.833 1420 K CB 1.825 34.353 32.500 0.046 0.000 1.318 1420 K HN 0.197 nan 8.250 nan 0.000 0.433 1421 V N 4.026 123.971 119.914 0.052 0.000 2.370 1421 V HA 0.414 4.530 4.120 -0.006 0.000 0.279 1421 V C -0.195 175.918 176.094 0.033 0.000 1.029 1421 V CA -0.627 61.686 62.300 0.021 0.000 0.870 1421 V CB 1.192 32.993 31.823 -0.035 0.000 0.984 1421 V HN 0.681 nan 8.190 nan 0.000 0.451 1422 R N 4.821 125.351 120.500 0.049 0.000 2.393 1422 R HA 0.457 4.793 4.340 -0.006 0.000 0.310 1422 R C -0.240 176.093 176.300 0.055 0.000 0.968 1422 R CA -0.415 55.702 56.100 0.029 0.000 0.867 1422 R CB 1.266 31.583 30.300 0.027 0.000 1.124 1422 R HN 0.753 nan 8.270 nan 0.000 0.450 1423 Q N 4.524 124.319 119.800 -0.008 0.000 2.243 1423 Q HA 0.180 4.517 4.340 -0.006 0.000 0.252 1423 Q C -1.396 174.594 176.000 -0.015 0.000 0.909 1423 Q CA -0.136 55.708 55.803 0.069 0.000 0.922 1423 Q CB 1.214 29.996 28.738 0.073 0.000 1.215 1423 Q HN 0.728 nan 8.270 nan 0.000 0.427 1424 Y N 1.820 122.218 120.300 0.163 0.000 2.376 1424 Y HA 0.199 4.745 4.550 -0.006 0.000 0.340 1424 Y C 0.548 176.593 175.900 0.242 0.000 0.965 1424 Y CA -0.825 57.393 58.100 0.197 0.000 1.078 1424 Y CB 1.995 40.575 38.460 0.199 0.000 1.193 1424 Y HN 0.612 nan 8.280 nan 0.000 0.452 1425 D N 0.716 121.311 120.400 0.325 0.000 2.224 1425 D HA -0.046 4.591 4.640 -0.006 0.000 0.205 1425 D C 0.340 176.828 176.300 0.314 0.000 0.965 1425 D CA 1.180 55.333 54.000 0.255 0.000 0.852 1425 D CB 0.316 41.221 40.800 0.176 0.000 0.947 1425 D HN 0.503 nan 8.370 nan 0.000 0.494 1426 S N -1.464 114.474 115.700 0.397 0.000 2.672 1426 S HA 0.313 4.779 4.470 -0.006 0.000 0.271 1426 S C 0.855 175.633 174.600 0.297 0.000 1.171 1426 S CA -0.782 57.655 58.200 0.395 0.000 0.817 1426 S CB 0.868 64.220 63.200 0.254 0.000 1.150 1426 S HN -0.207 nan 8.310 nan 0.000 0.478 1427 I N 0.397 121.091 120.570 0.207 0.000 2.179 1427 I HA -0.090 4.076 4.170 -0.006 0.000 0.242 1427 I C 2.295 178.429 176.117 0.028 0.000 1.088 1427 I CA 1.240 62.526 61.300 -0.022 0.000 1.357 1427 I CB -1.163 36.841 38.000 0.007 0.000 1.051 1427 I HN 0.554 nan 8.210 nan 0.000 0.409 1428 L N 1.006 122.281 121.223 0.086 0.000 2.187 1428 L HA -0.210 4.127 4.340 -0.006 0.000 0.213 1428 L C 2.480 179.504 176.870 0.257 0.000 1.100 1428 L CA 1.716 56.626 54.840 0.117 0.000 0.765 1428 L CB -0.758 41.399 42.059 0.162 0.000 0.904 1428 L HN 0.267 nan 8.230 nan 0.000 0.437 1429 E N -0.910 119.465 120.200 0.292 0.000 2.107 1429 E HA -0.156 4.191 4.350 -0.006 0.000 0.191 1429 E C 2.128 178.988 176.600 0.433 0.000 0.982 1429 E CA 1.106 57.757 56.400 0.419 0.000 0.809 1429 E CB -0.203 29.745 29.700 0.412 0.000 0.756 1429 E HN 0.488 nan 8.360 nan 0.000 0.459 1430 L N -0.369 120.965 121.223 0.185 0.000 2.109 1430 L HA -0.067 4.270 4.340 -0.006 0.000 0.207 1430 L C 2.258 179.132 176.870 0.007 0.000 1.086 1430 L CA 1.179 55.961 54.840 -0.096 0.000 0.760 1430 L CB -0.472 41.328 42.059 -0.432 0.000 0.910 1430 L HN 0.237 nan 8.230 nan 0.000 0.437 1431 Y N -0.399 119.842 120.300 -0.098 0.000 2.153 1431 Y HA -0.217 4.329 4.550 -0.006 0.000 0.289 1431 Y C 2.815 178.663 175.900 -0.088 0.000 1.127 1431 Y CA 1.673 59.678 58.100 -0.159 0.000 1.131 1431 Y CB -0.027 38.261 38.460 -0.286 0.000 0.995 1431 Y HN 0.133 nan 8.280 nan 0.000 0.505 1432 H N -1.842 117.299 119.070 0.119 0.000 2.415 1432 H HA 0.047 4.600 4.556 -0.005 0.000 0.297 1432 H C -0.173 174.913 175.328 -0.402 0.000 1.048 1432 H CA 1.178 57.090 56.048 -0.226 0.000 1.365 1432 H CB -0.082 29.404 29.762 -0.459 0.000 1.421 1432 H HN 0.323 nan 8.280 nan 0.000 0.533 1433 Y N 0.957 121.490 120.300 0.388 0.000 2.495 1433 Y HA 0.277 4.823 4.550 -0.007 0.000 0.362 1433 Y C -2.297 173.832 175.900 0.382 0.000 0.956 1433 Y CA -2.969 55.328 58.100 0.329 0.000 1.127 1433 Y CB 0.612 39.217 38.460 0.241 0.000 1.173 1433 Y HN 0.027 nan 8.280 nan 0.000 0.639 1434 P HA 0.149 nan 4.420 nan 0.000 0.276 1434 P C 0.497 178.084 177.300 0.478 0.000 1.235 1434 P CA 0.190 63.538 63.100 0.414 0.000 0.772 1434 P CB 1.933 33.769 31.700 0.226 0.000 0.871 1435 A N 3.050 126.164 122.820 0.490 0.000 2.238 1435 A HA 0.085 4.401 4.320 -0.006 0.000 0.208 1435 A C 0.475 178.283 177.584 0.372 0.000 1.177 1435 A CA 0.777 53.037 52.037 0.372 0.000 0.804 1435 A CB -0.649 18.520 19.000 0.280 0.000 0.823 1435 A HN 0.686 nan 8.150 nan 0.000 0.482 1436 D N -4.055 116.587 120.400 0.405 0.000 2.665 1436 D HA 0.228 4.864 4.640 -0.006 0.000 0.287 1436 D C 0.437 176.805 176.300 0.113 0.000 1.266 1436 D CA -0.791 53.411 54.000 0.336 0.000 0.830 1436 D CB 0.290 41.225 40.800 0.226 0.000 1.356 1436 D HN -0.168 nan 8.370 nan 0.000 0.437 1437 R N -0.757 119.597 120.500 -0.243 0.000 2.120 1437 R HA -0.044 4.292 4.340 -0.006 0.000 0.234 1437 R C 1.697 177.822 176.300 -0.292 0.000 1.123 1437 R CA 1.029 56.704 56.100 -0.709 0.000 0.975 1437 R CB -0.383 29.470 30.300 -0.745 0.000 0.866 1437 R HN 0.499 nan 8.270 nan 0.000 0.446 1438 F N 0.626 120.458 119.950 -0.197 0.000 2.051 1438 F HA -0.182 4.341 4.527 -0.006 0.000 0.296 1438 F C 1.844 177.625 175.800 -0.031 0.000 1.122 1438 F CA 1.469 59.413 58.000 -0.095 0.000 1.201 1438 F CB -0.668 38.287 39.000 -0.075 0.000 0.978 1438 F HN -0.251 nan 8.300 nan 0.000 0.472 1439 V N 1.163 120.825 119.914 -0.421 0.000 2.469 1439 V HA -0.301 3.815 4.120 -0.006 0.000 0.251 1439 V C 2.807 178.731 176.094 -0.283 0.000 1.064 1439 V CA 1.723 63.712 62.300 -0.518 0.000 1.066 1439 V CB -1.805 29.870 31.823 -0.247 0.000 0.667 1439 V HN 0.568 nan 8.190 nan 0.000 0.461 1440 A N 0.321 123.056 122.820 -0.142 0.000 1.969 1440 A HA 0.029 4.345 4.320 -0.006 0.000 0.218 1440 A C 1.962 179.506 177.584 -0.066 0.000 1.169 1440 A CA 1.574 53.561 52.037 -0.083 0.000 0.635 1440 A CB -0.566 18.444 19.000 0.015 0.000 0.810 1440 A HN 0.601 nan 8.150 nan 0.000 0.445 1441 G N -2.996 105.782 108.800 -0.037 0.000 4.294 1441 G HA2 0.421 4.378 3.960 -0.006 0.000 0.301 1441 G HA3 0.421 4.378 3.960 -0.006 0.000 0.301 1441 G C 0.129 174.983 174.900 -0.078 0.000 1.321 1441 G CA -0.010 45.091 45.100 0.002 0.000 1.190 1441 G HN 0.313 nan 8.290 nan 0.000 0.600 1442 F N -0.047 119.710 119.950 -0.320 0.000 2.729 1442 F HA 0.441 4.964 4.527 -0.006 0.000 0.304 1442 F C 0.229 175.890 175.800 -0.233 0.000 1.008 1442 F CA -0.185 57.605 58.000 -0.350 0.000 1.188 1442 F CB 0.821 39.459 39.000 -0.604 0.000 0.980 1442 F HN -0.043 nan 8.300 nan 0.000 0.627 1443 I N 1.163 121.705 120.570 -0.047 0.000 2.412 1443 I HA 0.601 4.767 4.170 -0.006 0.000 0.296 1443 I C 0.353 176.452 176.117 -0.030 0.000 0.987 1443 I CA -0.553 60.729 61.300 -0.030 0.000 1.180 1443 I CB 0.461 38.486 38.000 0.040 0.000 1.340 1443 I HN 0.239 nan 8.210 nan 0.000 0.455 1444 G N 3.566 112.361 108.800 -0.008 0.000 3.409 1444 G HA2 0.236 4.193 3.960 -0.006 0.000 0.686 1444 G HA3 0.236 4.193 3.960 -0.006 0.000 0.686 1444 G C -0.536 174.324 174.900 -0.067 0.000 1.017 1444 G CA -0.162 44.937 45.100 -0.002 0.000 0.854 1444 G HN 1.176 nan 8.290 nan 0.000 0.508 1445 S N 4.327 119.989 115.700 -0.065 0.000 2.519 1445 S HA 0.912 5.378 4.470 -0.006 0.000 0.309 1445 S C -1.117 173.443 174.600 -0.066 0.000 1.100 1445 S CA -1.095 57.062 58.200 -0.070 0.000 1.059 1445 S CB 1.491 64.649 63.200 -0.069 0.000 1.008 1445 S HN 0.878 nan 8.310 nan 0.000 0.478 1446 P HA 0.215 nan 4.420 nan 0.000 0.272 1446 P C -0.497 176.750 177.300 -0.088 0.000 1.230 1446 P CA -0.404 62.657 63.100 -0.067 0.000 0.788 1446 P CB 0.485 32.142 31.700 -0.070 0.000 0.949 1447 K N 1.197 121.552 120.400 -0.075 0.000 2.469 1447 K HA 0.046 4.363 4.320 -0.006 0.000 0.274 1447 K C 0.783 177.288 176.600 -0.159 0.000 0.983 1447 K CA -0.206 56.028 56.287 -0.089 0.000 0.974 1447 K CB 0.116 32.602 32.500 -0.022 0.000 0.913 1447 K HN 0.498 nan 8.250 nan 0.000 0.493 1448 M N 4.353 123.801 119.600 -0.253 0.000 2.261 1448 M HA -0.090 4.387 4.480 -0.006 0.000 0.350 1448 M C -0.406 175.525 176.300 -0.615 0.000 1.343 1448 M CA 0.393 55.426 55.300 -0.444 0.000 1.003 1448 M CB 0.247 32.492 32.600 -0.592 0.000 1.848 1448 M HN 0.536 nan 8.290 nan 0.000 0.456 1449 N N 4.620 123.057 118.700 -0.439 0.000 2.492 1449 N HA 0.200 4.936 4.740 -0.006 0.000 0.260 1449 N C -1.571 173.622 175.510 -0.528 0.000 1.215 1449 N CA 0.622 53.477 53.050 -0.325 0.000 0.923 1449 N CB 0.441 38.845 38.487 -0.138 0.000 1.092 1449 N HN 0.428 nan 8.380 nan 0.000 0.448 1450 F N 1.525 121.487 119.950 0.022 0.000 2.507 1450 F HA 0.417 4.941 4.527 -0.006 0.000 0.328 1450 F C -0.373 175.454 175.800 0.046 0.000 1.136 1450 F CA -0.783 57.243 58.000 0.043 0.000 0.930 1450 F CB 1.176 40.181 39.000 0.007 0.000 1.166 1450 F HN 0.097 nan 8.300 nan 0.000 0.436 1451 L N 5.867 127.227 121.223 0.228 0.000 2.356 1451 L HA 0.545 4.881 4.340 -0.006 0.000 0.277 1451 L C -2.406 174.544 176.870 0.135 0.000 0.996 1451 L CA -1.942 52.982 54.840 0.140 0.000 0.822 1451 L CB 1.620 43.730 42.059 0.085 0.000 1.256 1451 L HN 0.287 nan 8.230 nan 0.000 0.413 1452 P HA 0.162 nan 4.420 nan 0.000 0.271 1452 P C -0.832 176.501 177.300 0.055 0.000 1.233 1452 P CA -0.063 63.083 63.100 0.077 0.000 0.764 1452 P CB 1.009 32.741 31.700 0.054 0.000 0.825 1453 V N 0.538 120.484 119.914 0.052 0.000 3.040 1453 V HA 0.712 4.829 4.120 -0.006 0.000 0.312 1453 V C -0.504 175.595 176.094 0.009 0.000 1.115 1453 V CA -1.363 60.952 62.300 0.024 0.000 0.998 1453 V CB 2.362 34.197 31.823 0.019 0.000 1.042 1453 V HN 0.129 nan 8.190 nan 0.000 0.433 1454 K N 1.492 121.883 120.400 -0.014 0.000 2.274 1454 K HA 0.679 4.995 4.320 -0.006 0.000 0.262 1454 K C -0.951 175.618 176.600 -0.052 0.000 0.961 1454 K CA -0.582 55.691 56.287 -0.024 0.000 0.833 1454 K CB 1.754 34.239 32.500 -0.026 0.000 1.102 1454 K HN 0.729 nan 8.250 nan 0.000 0.436 1455 V N 4.357 124.242 119.914 -0.048 0.000 2.446 1455 V HA 0.024 4.141 4.120 -0.006 0.000 0.276 1455 V C 1.204 177.242 176.094 -0.094 0.000 1.030 1455 V CA 0.639 62.893 62.300 -0.078 0.000 1.033 1455 V CB 0.531 32.324 31.823 -0.049 0.000 0.993 1455 V HN 1.062 nan 8.190 nan 0.000 0.477 1456 T N 1.346 115.808 114.554 -0.153 0.000 2.990 1456 T HA 0.588 4.934 4.350 -0.006 0.000 0.249 1456 T C 0.453 175.060 174.700 -0.154 0.000 1.039 1456 T CA 0.506 62.520 62.100 -0.143 0.000 1.036 1456 T CB 0.571 69.344 68.868 -0.159 0.000 0.994 1456 T HN 0.933 nan 8.240 nan 0.000 0.489 1457 A N 0.133 122.806 122.820 -0.245 0.000 2.602 1457 A HA 0.752 5.068 4.320 -0.006 0.000 0.290 1457 A C -1.073 176.441 177.584 -0.116 0.000 1.114 1457 A CA -0.727 51.208 52.037 -0.170 0.000 0.683 1457 A CB 1.575 20.457 19.000 -0.197 0.000 1.281 1457 A HN 0.112 nan 8.150 nan 0.000 0.416 1458 T N 0.071 114.712 114.554 0.146 0.000 3.172 1458 T HA 0.682 5.029 4.350 -0.006 0.000 0.320 1458 T C -0.334 174.548 174.700 0.304 0.000 1.085 1458 T CA 0.429 62.664 62.100 0.224 0.000 1.052 1458 T CB 1.344 70.272 68.868 0.101 0.000 1.107 1458 T HN 1.758 nan 8.240 nan 0.000 0.458 1459 A N 2.630 125.651 122.820 0.335 0.000 2.470 1459 A HA 0.959 5.275 4.320 -0.006 0.000 0.271 1459 A C -0.975 176.654 177.584 0.076 0.000 1.269 1459 A CA -0.856 51.264 52.037 0.137 0.000 0.828 1459 A CB 0.449 19.420 19.000 -0.048 0.000 1.374 1459 A HN 0.737 nan 8.150 nan 0.000 0.454 1460 I N 1.259 121.834 120.570 0.009 0.000 2.533 1460 I HA 0.201 4.367 4.170 -0.006 0.000 0.284 1460 I C -0.203 175.913 176.117 -0.001 0.000 1.109 1460 I CA 0.482 61.785 61.300 0.004 0.000 1.412 1460 I CB -0.115 37.876 38.000 -0.016 0.000 1.396 1460 I HN 0.538 nan 8.210 nan 0.000 0.543 1461 D N 3.741 124.152 120.400 0.020 0.000 2.882 1461 D HA -0.230 4.407 4.640 -0.006 0.000 0.229 1461 D C -0.059 176.268 176.300 0.046 0.000 1.167 1461 D CA 1.055 55.068 54.000 0.022 0.000 0.759 1461 D CB -0.661 40.138 40.800 -0.001 0.000 1.088 1461 D HN 0.722 nan 8.370 nan 0.000 0.425 1462 Q N -0.974 118.887 119.800 0.101 0.000 2.320 1462 Q HA 0.534 4.871 4.340 -0.006 0.000 0.272 1462 Q C -1.370 174.876 176.000 0.410 0.000 1.023 1462 Q CA -0.679 55.258 55.803 0.223 0.000 0.855 1462 Q CB 2.971 31.745 28.738 0.061 0.000 1.367 1462 Q HN -0.032 nan 8.270 nan 0.000 0.406 1463 V N 2.477 122.624 119.914 0.388 0.000 2.525 1463 V HA 0.335 4.451 4.120 -0.006 0.000 0.299 1463 V C -0.697 175.350 176.094 -0.079 0.000 1.034 1463 V CA -0.737 61.666 62.300 0.171 0.000 0.863 1463 V CB 1.873 33.730 31.823 0.057 0.000 0.999 1463 V HN 0.699 nan 8.190 nan 0.000 0.423 1464 Q N 3.082 122.490 119.800 -0.653 0.000 2.256 1464 Q HA 0.726 5.063 4.340 -0.006 0.000 0.254 1464 Q C -0.860 174.869 176.000 -0.452 0.000 0.916 1464 Q CA -0.437 54.810 55.803 -0.926 0.000 0.932 1464 Q CB 1.972 29.618 28.738 -1.821 0.000 1.207 1464 Q HN 0.806 nan 8.270 nan 0.000 0.426 1465 V N 0.239 119.968 119.914 -0.308 0.000 3.001 1465 V HA 0.621 4.738 4.120 -0.006 0.000 0.314 1465 V C -0.923 175.081 176.094 -0.151 0.000 1.099 1465 V CA -1.010 61.184 62.300 -0.177 0.000 0.989 1465 V CB 1.863 33.629 31.823 -0.095 0.000 1.040 1465 V HN 0.880 nan 8.190 nan 0.000 0.434 1466 E N 2.082 122.220 120.200 -0.103 0.000 2.166 1466 E HA 0.580 4.927 4.350 -0.006 0.000 0.275 1466 E C -1.226 175.348 176.600 -0.044 0.000 0.941 1466 E CA -0.824 55.530 56.400 -0.077 0.000 0.784 1466 E CB 1.770 31.429 29.700 -0.068 0.000 1.115 1466 E HN 0.774 nan 8.360 nan 0.000 0.399 1467 L N 6.328 127.529 121.223 -0.036 0.000 2.371 1467 L HA 0.262 4.599 4.340 -0.006 0.000 0.272 1467 L C -1.392 175.471 176.870 -0.012 0.000 1.124 1467 L CA -1.540 53.289 54.840 -0.018 0.000 0.816 1467 L CB 0.920 42.968 42.059 -0.019 0.000 1.129 1467 L HN 0.566 nan 8.230 nan 0.000 0.448 1468 P HA -0.066 nan 4.420 nan 0.000 0.231 1468 P C 0.163 177.463 177.300 0.000 0.000 1.168 1468 P CA 0.740 63.841 63.100 0.002 0.000 0.779 1468 P CB 0.190 31.897 31.700 0.012 0.000 0.844 1469 M N -1.618 117.982 119.600 -0.001 0.000 2.241 1469 M HA 0.286 4.763 4.480 -0.006 0.000 0.335 1469 M C -1.736 174.560 176.300 -0.006 0.000 1.122 1469 M CA -1.716 53.583 55.300 -0.002 0.000 1.164 1469 M CB -0.735 31.863 32.600 -0.003 0.000 1.459 1469 M HN -0.371 nan 8.290 nan 0.000 0.461 1470 P HA -0.290 nan 4.420 nan 0.000 0.225 1470 P C 1.094 178.389 177.300 -0.008 0.000 1.154 1470 P CA 2.484 65.580 63.100 -0.005 0.000 0.933 1470 P CB -0.550 31.147 31.700 -0.004 0.000 0.790 1471 N N -0.573 118.120 118.700 -0.011 0.000 2.519 1471 N HA -0.176 4.560 4.740 -0.006 0.000 0.186 1471 N C 0.392 175.893 175.510 -0.016 0.000 1.062 1471 N CA 0.781 53.823 53.050 -0.013 0.000 0.910 1471 N CB -0.767 37.711 38.487 -0.015 0.000 0.958 1471 N HN 0.104 nan 8.380 nan 0.000 0.445 1472 R N 0.097 120.587 120.500 -0.017 0.000 3.405 1472 R HA -0.198 4.138 4.340 -0.006 0.000 0.258 1472 R C -0.402 175.881 176.300 -0.028 0.000 1.030 1472 R CA 0.504 56.591 56.100 -0.021 0.000 0.691 1472 R CB -1.967 28.322 30.300 -0.020 0.000 1.093 1472 R HN 0.601 nan 8.270 nan 0.000 0.448 1473 Q N 1.052 120.835 119.800 -0.028 0.000 2.315 1473 Q HA -0.031 4.305 4.340 -0.006 0.000 0.289 1473 Q C -0.276 175.696 176.000 -0.047 0.000 1.044 1473 Q CA 0.866 56.650 55.803 -0.032 0.000 0.920 1473 Q CB 0.576 29.297 28.738 -0.029 0.000 1.214 1473 Q HN 0.229 nan 8.270 nan 0.000 0.392 1474 Q N 1.561 121.326 119.800 -0.057 0.000 2.306 1474 Q HA 0.691 5.027 4.340 -0.006 0.000 0.265 1474 Q C -1.653 174.287 176.000 -0.100 0.000 1.022 1474 Q CA -0.681 55.062 55.803 -0.101 0.000 0.853 1474 Q CB 2.587 31.249 28.738 -0.127 0.000 1.327 1474 Q HN 0.478 nan 8.270 nan 0.000 0.449 1475 V N 2.289 122.112 119.914 -0.151 0.000 2.777 1475 V HA 0.406 4.523 4.120 -0.006 0.000 0.306 1475 V C -1.948 174.062 176.094 -0.141 0.000 1.112 1475 V CA -0.602 61.645 62.300 -0.088 0.000 0.917 1475 V CB 1.202 33.007 31.823 -0.031 0.000 1.018 1475 V HN 0.800 nan 8.190 nan 0.000 0.426 1476 W N 6.273 127.564 121.300 -0.015 0.000 2.287 1476 W HA 0.623 5.282 4.660 -0.002 0.000 0.313 1476 W C -0.162 176.343 176.519 -0.023 0.000 1.267 1476 W CA -0.251 57.085 57.345 -0.016 0.000 1.201 1476 W CB 1.084 30.536 29.460 -0.013 0.000 1.196 1476 W HN 0.410 nan 8.180 nan 0.000 0.536 1477 L N 6.143 127.511 121.223 0.241 0.000 2.341 1477 L HA 0.352 4.689 4.340 -0.006 0.000 0.278 1477 L C -2.014 174.935 176.870 0.131 0.000 1.005 1477 L CA -2.325 52.588 54.840 0.121 0.000 0.818 1477 L CB 1.671 43.754 42.059 0.040 0.000 1.259 1477 L HN 0.125 nan 8.230 nan 0.000 0.418 1478 P HA 0.093 nan 4.420 nan 0.000 0.252 1478 P C -0.802 176.528 177.300 0.051 0.000 1.694 1478 P CA 0.293 63.432 63.100 0.065 0.000 1.163 1478 P CB 0.106 31.842 31.700 0.061 0.000 1.934 1479 V N 1.422 121.371 119.914 0.058 0.000 2.888 1479 V HA 0.195 4.311 4.120 -0.006 0.000 0.309 1479 V C 0.213 176.333 176.094 0.043 0.000 1.114 1479 V CA -1.001 61.319 62.300 0.034 0.000 0.940 1479 V CB 2.750 34.578 31.823 0.008 0.000 1.021 1479 V HN 0.207 nan 8.190 nan 0.000 0.426 1480 E N 1.569 121.785 120.200 0.027 0.000 2.452 1480 E HA 0.057 4.403 4.350 -0.006 0.000 0.261 1480 E C 0.753 177.375 176.600 0.036 0.000 0.987 1480 E CA 0.596 57.012 56.400 0.027 0.000 0.926 1480 E CB 0.840 30.550 29.700 0.017 0.000 0.934 1480 E HN 0.833 nan 8.360 nan 0.000 0.452 1481 S N 4.302 120.028 115.700 0.043 0.000 2.554 1481 S HA 0.093 4.560 4.470 -0.006 0.000 0.226 1481 S C 0.683 175.307 174.600 0.040 0.000 0.980 1481 S CA -0.527 57.705 58.200 0.052 0.000 0.939 1481 S CB 0.213 63.458 63.200 0.075 0.000 0.832 1481 S HN 0.486 nan 8.310 nan 0.000 0.486 1482 R N 2.003 122.523 120.500 0.032 0.000 2.585 1482 R HA -0.024 4.313 4.340 -0.006 0.000 0.275 1482 R C -0.409 175.910 176.300 0.031 0.000 1.018 1482 R CA 0.858 56.975 56.100 0.029 0.000 1.072 1482 R CB -0.175 30.140 30.300 0.025 0.000 0.953 1482 R HN 0.291 nan 8.270 nan 0.000 0.419 1483 D N 2.109 122.527 120.400 0.030 0.000 2.697 1483 D HA -0.157 4.479 4.640 -0.006 0.000 0.235 1483 D C -1.656 174.663 176.300 0.032 0.000 1.167 1483 D CA 0.827 54.846 54.000 0.031 0.000 0.656 1483 D CB -0.412 40.408 40.800 0.032 0.000 1.025 1483 D HN 0.174 nan 8.370 nan 0.000 0.419 1484 V N 1.119 121.052 119.914 0.031 0.000 2.531 1484 V HA 0.535 4.651 4.120 -0.006 0.000 0.301 1484 V C 0.199 176.308 176.094 0.025 0.000 1.034 1484 V CA -0.811 61.506 62.300 0.028 0.000 0.865 1484 V CB 1.871 33.712 31.823 0.029 0.000 0.995 1484 V HN 0.234 nan 8.190 nan 0.000 0.424 1485 Q N 2.939 122.751 119.800 0.019 0.000 2.309 1485 Q HA 0.628 4.964 4.340 -0.006 0.000 0.264 1485 Q C -0.914 175.090 176.000 0.006 0.000 1.008 1485 Q CA -0.421 55.392 55.803 0.015 0.000 0.853 1485 Q CB 2.121 30.868 28.738 0.015 0.000 1.314 1485 Q HN 0.567 nan 8.270 nan 0.000 0.448 1486 V N 3.604 123.520 119.914 0.003 0.000 2.637 1486 V HA 0.396 4.513 4.120 -0.006 0.000 0.296 1486 V C 1.377 177.466 176.094 -0.009 0.000 1.046 1486 V CA 1.355 63.649 62.300 -0.009 0.000 1.066 1486 V CB 0.490 32.309 31.823 -0.007 0.000 0.968 1486 V HN 1.057 nan 8.190 nan 0.000 0.483 1487 G N 3.584 112.374 108.800 -0.017 0.000 2.217 1487 G HA2 -0.145 3.812 3.960 -0.006 0.000 0.246 1487 G HA3 -0.145 3.812 3.960 -0.006 0.000 0.246 1487 G C 0.500 175.396 174.900 -0.005 0.000 0.990 1487 G CA 0.152 45.245 45.100 -0.012 0.000 0.627 1487 G HN 1.553 nan 8.290 nan 0.000 0.522 1488 A N 0.554 123.373 122.820 -0.002 0.000 2.520 1488 A HA 0.498 4.814 4.320 -0.006 0.000 0.245 1488 A C 0.535 178.125 177.584 0.009 0.000 1.072 1488 A CA 0.048 52.089 52.037 0.007 0.000 0.761 1488 A CB 0.126 19.134 19.000 0.013 0.000 1.004 1488 A HN 0.398 nan 8.150 nan 0.000 0.499 1489 N N 2.897 121.607 118.700 0.016 0.000 2.431 1489 N HA 0.222 4.958 4.740 -0.006 0.000 0.265 1489 N C -0.216 175.317 175.510 0.039 0.000 1.184 1489 N CA 0.419 53.483 53.050 0.022 0.000 0.943 1489 N CB 0.648 39.147 38.487 0.021 0.000 1.080 1489 N HN 0.560 nan 8.380 nan 0.000 0.477 1490 M N 0.044 119.672 119.600 0.047 0.000 2.777 1490 M HA 0.315 4.792 4.480 -0.006 0.000 0.307 1490 M C 0.254 176.622 176.300 0.112 0.000 1.228 1490 M CA -0.753 54.595 55.300 0.079 0.000 0.871 1490 M CB 1.483 34.121 32.600 0.064 0.000 1.721 1490 M HN 0.202 nan 8.290 nan 0.000 0.487 1491 S N 1.335 117.148 115.700 0.188 0.000 2.596 1491 S HA 0.589 5.056 4.470 -0.006 0.000 0.318 1491 S C -1.212 173.615 174.600 0.379 0.000 1.097 1491 S CA -0.711 57.645 58.200 0.261 0.000 1.080 1491 S CB 0.619 63.964 63.200 0.241 0.000 0.991 1491 S HN 0.644 nan 8.310 nan 0.000 0.471 1492 L N 5.676 127.070 121.223 0.285 0.000 2.265 1492 L HA 0.749 5.085 4.340 -0.006 0.000 0.288 1492 L C 0.501 177.552 176.870 0.303 0.000 1.058 1492 L CA -0.225 54.759 54.840 0.239 0.000 0.809 1492 L CB 0.542 42.671 42.059 0.116 0.000 1.179 1492 L HN 0.754 nan 8.230 nan 0.000 0.429 1493 G N 5.371 114.380 108.800 0.348 0.000 2.332 1493 G HA2 0.562 4.518 3.960 -0.006 0.000 0.310 1493 G HA3 0.562 4.518 3.960 -0.006 0.000 0.310 1493 G C -1.375 173.582 174.900 0.095 0.000 1.123 1493 G CA -0.348 44.862 45.100 0.183 0.000 0.873 1493 G HN 0.558 nan 8.290 nan 0.000 0.460 1494 I N 0.970 121.502 120.570 -0.064 0.000 2.610 1494 I HA 0.417 4.584 4.170 -0.006 0.000 0.289 1494 I C -0.172 175.898 176.117 -0.079 0.000 1.163 1494 I CA -0.880 60.426 61.300 0.010 0.000 1.044 1494 I CB 1.800 39.822 38.000 0.035 0.000 1.251 1494 I HN 0.513 nan 8.210 nan 0.000 0.424 1495 R N 7.658 128.136 120.500 -0.037 0.000 2.490 1495 R HA 0.313 4.650 4.340 -0.006 0.000 0.280 1495 R C -1.775 174.463 176.300 -0.103 0.000 1.077 1495 R CA -1.285 54.716 56.100 -0.164 0.000 1.065 1495 R CB 0.296 30.393 30.300 -0.338 0.000 1.003 1495 R HN 0.411 nan 8.270 nan 0.000 0.470 1496 P HA -0.207 nan 4.420 nan 0.000 0.217 1496 P C 0.142 177.413 177.300 -0.049 0.000 1.148 1496 P CA 1.391 64.461 63.100 -0.049 0.000 0.828 1496 P CB 0.310 31.946 31.700 -0.106 0.000 0.783 1497 E N -2.024 118.095 120.200 -0.136 0.000 2.216 1497 E HA -0.140 4.207 4.350 -0.006 0.000 0.192 1497 E C 1.589 178.206 176.600 0.029 0.000 0.988 1497 E CA 0.971 57.303 56.400 -0.114 0.000 0.834 1497 E CB -0.943 28.653 29.700 -0.173 0.000 0.772 1497 E HN 0.543 nan 8.360 nan 0.000 0.479 1498 H N -0.290 118.824 119.070 0.074 0.000 2.551 1498 H HA 0.178 4.730 4.556 -0.005 0.000 0.266 1498 H C 0.189 175.568 175.328 0.085 0.000 0.964 1498 H CA -0.612 55.483 56.048 0.077 0.000 1.180 1498 H CB 0.252 30.052 29.762 0.063 0.000 1.408 1498 H HN 0.021 nan 8.280 nan 0.000 0.563 1499 L N 1.823 123.186 121.223 0.233 0.000 2.461 1499 L HA 0.085 4.422 4.340 -0.006 0.000 0.272 1499 L C -0.200 176.830 176.870 0.266 0.000 1.197 1499 L CA 0.084 55.056 54.840 0.219 0.000 0.836 1499 L CB 0.761 42.986 42.059 0.278 0.000 1.105 1499 L HN 0.136 nan 8.230 nan 0.000 0.477 1500 L N 2.957 124.252 121.223 0.120 0.000 2.313 1500 L HA 0.530 4.867 4.340 -0.006 0.000 0.268 1500 L C -2.238 174.633 176.870 0.001 0.000 1.010 1500 L CA -2.027 52.871 54.840 0.097 0.000 0.814 1500 L CB 1.744 43.824 42.059 0.034 0.000 1.304 1500 L HN 0.350 nan 8.230 nan 0.000 0.441 1501 P HA 0.067 nan 4.420 nan 0.000 0.272 1501 P C 0.192 177.420 177.300 -0.121 0.000 1.223 1501 P CA -0.356 62.713 63.100 -0.052 0.000 0.784 1501 P CB 0.799 32.525 31.700 0.044 0.000 0.923 1502 S N 0.205 115.780 115.700 -0.209 0.000 2.402 1502 S HA -0.190 4.276 4.470 -0.006 0.000 0.229 1502 S C 1.901 176.439 174.600 -0.104 0.000 1.021 1502 S CA 1.539 59.632 58.200 -0.178 0.000 0.974 1502 S CB -1.897 61.159 63.200 -0.239 0.000 0.800 1502 S HN 0.523 nan 8.310 nan 0.000 0.484 1503 D N 1.435 121.787 120.400 -0.080 0.000 2.200 1503 D HA 0.004 4.641 4.640 -0.006 0.000 0.192 1503 D C 1.086 177.368 176.300 -0.031 0.000 1.008 1503 D CA 2.310 56.285 54.000 -0.042 0.000 0.872 1503 D CB -1.082 39.708 40.800 -0.017 0.000 0.923 1503 D HN 1.193 nan 8.370 nan 0.000 0.447 1504 I N -1.152 119.402 120.570 -0.028 0.000 2.668 1504 I HA 0.815 4.981 4.170 -0.006 0.000 0.276 1504 I C -0.026 176.075 176.117 -0.026 0.000 1.139 1504 I CA -0.149 61.139 61.300 -0.020 0.000 1.133 1504 I CB 0.611 38.607 38.000 -0.006 0.000 1.327 1504 I HN 1.101 nan 8.210 nan 0.000 0.520 1505 A N 1.967 124.766 122.820 -0.036 0.000 2.488 1505 A HA 0.756 5.072 4.320 -0.006 0.000 0.295 1505 A C 0.281 177.843 177.584 -0.036 0.000 1.045 1505 A CA 0.463 52.475 52.037 -0.041 0.000 0.703 1505 A CB 0.815 19.777 19.000 -0.064 0.000 1.271 1505 A HN 1.424 nan 8.150 nan 0.000 0.400 1506 D N 0.635 121.019 120.400 -0.027 0.000 2.240 1506 D HA 0.363 5.000 4.640 -0.006 0.000 0.206 1506 D C 0.403 176.689 176.300 -0.024 0.000 0.963 1506 D CA 1.501 55.489 54.000 -0.020 0.000 0.863 1506 D CB 0.094 40.889 40.800 -0.008 0.000 0.973 1506 D HN 0.620 nan 8.370 nan 0.000 0.501 1507 V N 1.230 121.126 119.914 -0.030 0.000 2.313 1507 V HA 0.443 4.559 4.120 -0.006 0.000 0.278 1507 V C -0.495 175.567 176.094 -0.053 0.000 1.017 1507 V CA -0.604 61.675 62.300 -0.035 0.000 0.823 1507 V CB 1.007 32.814 31.823 -0.027 0.000 1.010 1507 V HN 0.370 nan 8.190 nan 0.000 0.443 1508 I N 5.848 126.382 120.570 -0.061 0.000 2.354 1508 I HA 0.430 4.597 4.170 -0.006 0.000 0.292 1508 I C -0.385 175.683 176.117 -0.082 0.000 0.989 1508 I CA -0.357 60.890 61.300 -0.087 0.000 1.188 1508 I CB 1.513 39.456 38.000 -0.094 0.000 1.342 1508 I HN 0.356 nan 8.210 nan 0.000 0.457 1509 L N 6.436 127.599 121.223 -0.100 0.000 2.307 1509 L HA 0.595 4.931 4.340 -0.006 0.000 0.284 1509 L C -0.303 176.508 176.870 -0.099 0.000 1.023 1509 L CA -0.470 54.322 54.840 -0.081 0.000 0.810 1509 L CB 1.492 43.512 42.059 -0.065 0.000 1.231 1509 L HN 0.620 nan 8.230 nan 0.000 0.423 1510 E N 1.474 121.636 120.200 -0.065 0.000 2.272 1510 E HA 0.744 5.091 4.350 -0.006 0.000 0.269 1510 E C -0.861 175.733 176.600 -0.010 0.000 0.877 1510 E CA -0.470 55.897 56.400 -0.055 0.000 0.755 1510 E CB 2.764 32.428 29.700 -0.059 0.000 1.192 1510 E HN 0.779 nan 8.360 nan 0.000 0.422 1511 G N 2.301 111.114 108.800 0.022 0.000 2.634 1511 G HA2 0.174 4.130 3.960 -0.006 0.000 0.309 1511 G HA3 0.174 4.130 3.960 -0.006 0.000 0.309 1511 G C -1.441 173.501 174.900 0.070 0.000 1.299 1511 G CA -0.675 44.449 45.100 0.041 0.000 0.798 1511 G HN 0.479 nan 8.290 nan 0.000 0.490 1512 E N -0.082 120.156 120.200 0.063 0.000 2.197 1512 E HA 0.479 4.826 4.350 -0.006 0.000 0.281 1512 E C -0.380 176.262 176.600 0.071 0.000 0.995 1512 E CA -0.512 55.927 56.400 0.065 0.000 0.808 1512 E CB 1.756 31.482 29.700 0.043 0.000 1.093 1512 E HN 0.187 nan 8.360 nan 0.000 0.394 1513 V N 5.596 125.551 119.914 0.069 0.000 2.485 1513 V HA -0.073 4.043 4.120 -0.006 0.000 0.287 1513 V C 1.038 177.155 176.094 0.039 0.000 1.022 1513 V CA 0.182 62.512 62.300 0.051 0.000 1.067 1513 V CB 0.988 32.808 31.823 -0.005 0.000 0.967 1513 V HN 0.749 nan 8.190 nan 0.000 0.479 1514 Q N 3.828 123.663 119.800 0.058 0.000 2.200 1514 Q HA 0.199 4.535 4.340 -0.006 0.000 0.197 1514 Q C 0.187 176.189 176.000 0.004 0.000 0.953 1514 Q CA 0.914 56.737 55.803 0.033 0.000 0.851 1514 Q CB 0.458 29.221 28.738 0.042 0.000 0.938 1514 Q HN 0.598 nan 8.270 nan 0.000 0.488 1515 V N 0.695 120.626 119.914 0.028 0.000 2.789 1515 V HA 0.443 4.559 4.120 -0.006 0.000 0.311 1515 V C -0.627 175.497 176.094 0.050 0.000 1.073 1515 V CA -0.849 61.436 62.300 -0.024 0.000 0.921 1515 V CB 2.532 34.217 31.823 -0.230 0.000 1.009 1515 V HN -0.178 nan 8.190 nan 0.000 0.426 1516 V N 3.178 123.097 119.914 0.008 0.000 2.378 1516 V HA 0.425 4.542 4.120 -0.006 0.000 0.288 1516 V C -0.186 175.913 176.094 0.007 0.000 1.016 1516 V CA -0.475 61.829 62.300 0.006 0.000 0.840 1516 V CB 1.598 33.400 31.823 -0.035 0.000 0.994 1516 V HN 0.948 nan 8.190 nan 0.000 0.431 1517 E N 4.305 124.524 120.200 0.032 0.000 2.167 1517 E HA 0.278 4.625 4.350 -0.006 0.000 0.247 1517 E C -0.620 175.975 176.600 -0.008 0.000 0.961 1517 E CA -0.527 55.882 56.400 0.015 0.000 0.797 1517 E CB 0.975 30.704 29.700 0.048 0.000 1.182 1517 E HN 0.572 nan 8.360 nan 0.000 0.437 1518 Q N 2.572 122.361 119.800 -0.018 0.000 2.286 1518 Q HA 0.135 4.471 4.340 -0.006 0.000 0.267 1518 Q C 0.617 176.604 176.000 -0.022 0.000 1.028 1518 Q CA 0.420 56.208 55.803 -0.025 0.000 0.901 1518 Q CB 1.237 29.961 28.738 -0.024 0.000 1.183 1518 Q HN 0.625 nan 8.270 nan 0.000 0.392 1519 L N 0.714 121.922 121.223 -0.026 0.000 3.135 1519 L HA 0.217 4.553 4.340 -0.006 0.000 0.279 1519 L C 1.147 178.003 176.870 -0.024 0.000 1.200 1519 L CA 0.306 55.132 54.840 -0.024 0.000 1.016 1519 L CB 0.406 42.449 42.059 -0.027 0.000 1.391 1519 L HN 0.947 nan 8.230 nan 0.000 0.588 1520 G N 1.955 110.741 108.800 -0.023 0.000 4.890 1520 G HA2 -0.392 3.564 3.960 -0.006 0.000 0.221 1520 G HA3 -0.392 3.564 3.960 -0.006 0.000 0.221 1520 G C 0.913 175.800 174.900 -0.022 0.000 1.472 1520 G CA 0.465 45.553 45.100 -0.020 0.000 0.962 1520 G HN 0.401 nan 8.290 nan 0.000 0.671 1521 N N 2.589 121.274 118.700 -0.025 0.000 2.207 1521 N HA 0.071 4.808 4.740 -0.006 0.000 0.182 1521 N C 0.839 176.327 175.510 -0.036 0.000 1.020 1521 N CA 2.028 55.062 53.050 -0.027 0.000 0.858 1521 N CB -0.353 38.119 38.487 -0.026 0.000 0.991 1521 N HN 0.865 nan 8.380 nan 0.000 0.427 1522 E N -0.204 119.968 120.200 -0.045 0.000 2.312 1522 E HA 0.411 4.758 4.350 -0.006 0.000 0.267 1522 E C -1.235 175.326 176.600 -0.066 0.000 0.894 1522 E CA -0.675 55.686 56.400 -0.065 0.000 0.773 1522 E CB 1.527 31.179 29.700 -0.080 0.000 1.241 1522 E HN -0.099 nan 8.360 nan 0.000 0.432 1523 T N 2.247 116.748 114.554 -0.088 0.000 2.791 1523 T HA 0.282 4.628 4.350 -0.006 0.000 0.288 1523 T C -0.437 174.194 174.700 -0.114 0.000 0.999 1523 T CA -0.582 61.469 62.100 -0.081 0.000 0.952 1523 T CB 0.980 69.807 68.868 -0.069 0.000 0.938 1523 T HN 0.307 nan 8.240 nan 0.000 0.444 1524 Q N 3.038 122.795 119.800 -0.072 0.000 2.331 1524 Q HA 0.426 4.762 4.340 -0.006 0.000 0.257 1524 Q C -0.424 175.575 176.000 -0.002 0.000 0.957 1524 Q CA -0.647 55.112 55.803 -0.073 0.000 0.923 1524 Q CB 1.048 29.764 28.738 -0.037 0.000 1.212 1524 Q HN 0.500 nan 8.270 nan 0.000 0.443 1525 I N 2.997 123.560 120.570 -0.012 0.000 2.354 1525 I HA 0.251 4.418 4.170 -0.006 0.000 0.292 1525 I C 0.074 176.216 176.117 0.042 0.000 0.989 1525 I CA -0.468 60.870 61.300 0.063 0.000 1.188 1525 I CB 0.979 39.031 38.000 0.088 0.000 1.342 1525 I HN 0.535 nan 8.210 nan 0.000 0.457 1526 H N 6.904 125.998 119.070 0.039 0.000 2.556 1526 H HA 0.535 5.088 4.556 -0.006 0.000 0.310 1526 H C -0.447 174.913 175.328 0.053 0.000 1.057 1526 H CA -0.404 55.672 56.048 0.047 0.000 1.264 1526 H CB 2.102 31.876 29.762 0.021 0.000 1.404 1526 H HN 0.425 nan 8.280 nan 0.000 0.462 1527 I N 2.434 123.090 120.570 0.143 0.000 2.474 1527 I HA 0.148 4.315 4.170 -0.006 0.000 0.294 1527 I C 0.135 176.308 176.117 0.092 0.000 1.005 1527 I CA -0.688 60.684 61.300 0.119 0.000 1.113 1527 I CB 2.405 40.482 38.000 0.129 0.000 1.289 1527 I HN 0.381 nan 8.210 nan 0.000 0.436 1528 Q N 5.675 125.521 119.800 0.077 0.000 2.322 1528 Q HA 0.489 4.825 4.340 -0.006 0.000 0.256 1528 Q C -1.270 174.757 176.000 0.045 0.000 0.960 1528 Q CA -0.731 55.107 55.803 0.058 0.000 0.934 1528 Q CB 1.022 29.789 28.738 0.048 0.000 1.200 1528 Q HN 0.489 nan 8.270 nan 0.000 0.435 1529 I N 6.171 126.763 120.570 0.038 0.000 2.336 1529 I HA 0.352 4.518 4.170 -0.006 0.000 0.292 1529 I C -2.156 173.974 176.117 0.022 0.000 0.991 1529 I CA -2.543 58.772 61.300 0.025 0.000 1.227 1529 I CB 0.978 38.989 38.000 0.019 0.000 1.366 1529 I HN 0.467 nan 8.210 nan 0.000 0.466 1530 P HA -0.046 nan 4.420 nan 0.000 0.263 1530 P C 0.439 177.747 177.300 0.013 0.000 1.175 1530 P CA 0.448 63.556 63.100 0.013 0.000 0.761 1530 P CB 0.286 31.991 31.700 0.008 0.000 0.794 1531 S N 0.482 116.190 115.700 0.013 0.000 3.477 1531 S HA -0.230 4.236 4.470 -0.006 0.000 0.357 1531 S C 0.070 174.681 174.600 0.019 0.000 1.083 1531 S CA 0.818 59.026 58.200 0.014 0.000 1.042 1531 S CB -2.606 60.599 63.200 0.010 0.000 0.911 1531 S HN 0.431 nan 8.310 nan 0.000 0.490 1532 I N 0.364 120.948 120.570 0.023 0.000 2.447 1532 I HA 0.405 4.571 4.170 -0.006 0.000 0.287 1532 I C 1.317 177.455 176.117 0.034 0.000 1.023 1532 I CA -1.015 60.303 61.300 0.031 0.000 1.083 1532 I CB 1.544 39.565 38.000 0.034 0.000 1.245 1532 I HN 0.066 nan 8.210 nan 0.000 0.434 1533 R N 3.507 124.028 120.500 0.035 0.000 2.064 1533 R HA -0.005 4.332 4.340 -0.006 0.000 0.228 1533 R C 0.614 176.939 176.300 0.041 0.000 1.144 1533 R CA 1.166 57.286 56.100 0.034 0.000 0.932 1533 R CB 0.250 30.568 30.300 0.030 0.000 0.833 1533 R HN 0.575 nan 8.270 nan 0.000 0.429 1534 Q N 1.414 121.245 119.800 0.051 0.000 2.373 1534 Q HA 0.055 4.391 4.340 -0.006 0.000 0.255 1534 Q C -0.597 175.443 176.000 0.067 0.000 0.980 1534 Q CA 0.140 55.981 55.803 0.062 0.000 0.882 1534 Q CB 0.699 29.482 28.738 0.074 0.000 1.249 1534 Q HN 0.325 nan 8.270 nan 0.000 0.438 1535 N N 0.750 119.501 118.700 0.084 0.000 2.508 1535 N HA 0.089 4.826 4.740 -0.006 0.000 0.264 1535 N C -0.589 174.965 175.510 0.073 0.000 1.216 1535 N CA -0.424 52.684 53.050 0.097 0.000 0.943 1535 N CB 0.483 39.067 38.487 0.162 0.000 1.113 1535 N HN 0.230 nan 8.380 nan 0.000 0.447 1536 L N 3.266 124.521 121.223 0.053 0.000 2.281 1536 L HA 0.257 4.594 4.340 -0.006 0.000 0.285 1536 L C -0.868 175.990 176.870 -0.019 0.000 1.074 1536 L CA -0.290 54.562 54.840 0.021 0.000 0.817 1536 L CB 0.946 43.020 42.059 0.026 0.000 1.168 1536 L HN 0.226 nan 8.230 nan 0.000 0.434 1537 V N 5.931 125.793 119.914 -0.087 0.000 2.465 1537 V HA 0.247 4.364 4.120 -0.006 0.000 0.279 1537 V C -0.795 175.277 176.094 -0.036 0.000 1.045 1537 V CA -0.595 61.571 62.300 -0.224 0.000 0.938 1537 V CB 0.912 32.542 31.823 -0.321 0.000 0.986 1537 V HN 0.636 nan 8.190 nan 0.000 0.467 1538 Y N 5.461 125.667 120.300 -0.157 0.000 2.326 1538 Y HA 0.596 5.142 4.550 -0.006 0.000 0.329 1538 Y C 0.069 175.937 175.900 -0.052 0.000 0.973 1538 Y CA -1.136 56.930 58.100 -0.055 0.000 1.162 1538 Y CB 1.191 39.678 38.460 0.044 0.000 1.147 1538 Y HN 0.603 nan 8.280 nan 0.000 0.456 1539 R N 3.924 124.153 120.500 -0.452 0.000 2.404 1539 R HA 0.399 4.735 4.340 -0.006 0.000 0.291 1539 R C -1.029 174.819 176.300 -0.753 0.000 1.025 1539 R CA -0.913 54.904 56.100 -0.472 0.000 0.991 1539 R CB 1.420 31.569 30.300 -0.252 0.000 1.053 1539 R HN 0.631 nan 8.270 nan 0.000 0.479 1540 Q N 1.233 120.729 119.800 -0.507 0.000 2.375 1540 Q HA 0.261 4.597 4.340 -0.006 0.000 0.271 1540 Q C -0.874 175.031 176.000 -0.158 0.000 1.074 1540 Q CA -0.336 55.249 55.803 -0.364 0.000 0.808 1540 Q CB 1.565 30.142 28.738 -0.270 0.000 1.327 1540 Q HN 0.739 nan 8.270 nan 0.000 0.441 1541 N N 3.261 121.910 118.700 -0.084 0.000 2.475 1541 N HA 0.238 4.974 4.740 -0.006 0.000 0.267 1541 N C 0.090 175.586 175.510 -0.023 0.000 1.169 1541 N CA 0.461 53.487 53.050 -0.040 0.000 0.947 1541 N CB -0.121 38.360 38.487 -0.009 0.000 1.061 1541 N HN 0.819 nan 8.380 nan 0.000 0.466 1542 D N -1.045 119.341 120.400 -0.024 0.000 4.372 1542 D HA -0.212 4.425 4.640 -0.006 0.000 0.169 1542 D C -0.038 176.252 176.300 -0.017 0.000 0.680 1542 D CA 2.382 56.373 54.000 -0.015 0.000 1.152 1542 D CB -1.055 39.744 40.800 -0.002 0.000 0.585 1542 D HN 0.672 nan 8.370 nan 0.000 0.493 1543 V N 0.760 120.672 119.914 -0.002 0.000 2.628 1543 V HA 0.701 4.818 4.120 -0.006 0.000 0.306 1543 V C 1.330 177.434 176.094 0.017 0.000 1.045 1543 V CA 0.205 62.505 62.300 0.001 0.000 0.905 1543 V CB 1.315 33.142 31.823 0.007 0.000 0.997 1543 V HN 0.579 nan 8.190 nan 0.000 0.436 1544 V N 2.768 122.685 119.914 0.004 0.000 3.090 1544 V HA 0.416 4.533 4.120 -0.006 0.000 0.237 1544 V C 0.979 177.071 176.094 -0.002 0.000 1.209 1544 V CA 0.539 62.850 62.300 0.019 0.000 1.209 1544 V CB -0.261 31.548 31.823 -0.024 0.000 0.971 1544 V HN 0.784 nan 8.190 nan 0.000 0.477 1545 L N 0.459 121.666 121.223 -0.026 0.000 3.713 1545 L HA -0.146 4.191 4.340 -0.006 0.000 0.499 1545 L C -0.598 176.246 176.870 -0.044 0.000 1.281 1545 L CA -0.143 54.683 54.840 -0.024 0.000 0.796 1545 L CB -1.715 40.346 42.059 0.002 0.000 1.535 1545 L HN 0.330 nan 8.230 nan 0.000 0.851 1546 V N -0.443 119.410 119.914 -0.101 0.000 2.555 1546 V HA 0.442 4.559 4.120 -0.006 0.000 0.302 1546 V C 0.648 176.683 176.094 -0.099 0.000 1.038 1546 V CA -0.930 61.285 62.300 -0.142 0.000 0.887 1546 V CB 2.059 33.661 31.823 -0.369 0.000 0.991 1546 V HN 0.120 nan 8.190 nan 0.000 0.434 1547 E N 1.849 122.013 120.200 -0.061 0.000 2.373 1547 E HA 0.215 4.562 4.350 -0.006 0.000 0.263 1547 E C -0.173 176.403 176.600 -0.040 0.000 1.073 1547 E CA -0.323 56.055 56.400 -0.038 0.000 0.894 1547 E CB 1.260 30.951 29.700 -0.016 0.000 1.008 1547 E HN 0.735 nan 8.360 nan 0.000 0.420 1548 E N -0.418 119.765 120.200 -0.029 0.000 2.414 1548 E HA 0.182 4.529 4.350 -0.006 0.000 0.263 1548 E C 0.680 177.276 176.600 -0.008 0.000 1.000 1548 E CA 1.067 57.455 56.400 -0.020 0.000 0.914 1548 E CB 0.224 29.914 29.700 -0.018 0.000 0.948 1548 E HN 0.669 nan 8.360 nan 0.000 0.444 1549 G N 2.304 111.104 108.800 0.000 0.000 2.153 1549 G HA2 -0.258 3.698 3.960 -0.006 0.000 0.252 1549 G HA3 -0.258 3.698 3.960 -0.006 0.000 0.252 1549 G C 0.180 175.092 174.900 0.020 0.000 0.994 1549 G CA 0.175 45.282 45.100 0.011 0.000 0.698 1549 G HN 0.755 nan 8.290 nan 0.000 0.521 1550 A N -0.655 122.179 122.820 0.022 0.000 2.279 1550 A HA 0.836 5.153 4.320 -0.006 0.000 0.303 1550 A C 0.672 178.303 177.584 0.078 0.000 1.108 1550 A CA 0.762 52.824 52.037 0.042 0.000 0.830 1550 A CB 0.923 19.945 19.000 0.036 0.000 1.106 1550 A HN 1.247 nan 8.150 nan 0.000 0.493 1551 T N 0.479 115.087 114.554 0.091 0.000 2.884 1551 T HA 0.481 4.828 4.350 -0.006 0.000 0.298 1551 T C -1.109 173.721 174.700 0.216 0.000 0.998 1551 T CA 0.318 62.486 62.100 0.112 0.000 1.124 1551 T CB -0.466 68.442 68.868 0.065 0.000 0.931 1551 T HN 0.495 nan 8.240 nan 0.000 0.531 1552 F N 3.429 123.371 119.950 -0.014 0.000 2.574 1552 F HA 0.661 5.185 4.527 -0.004 0.000 0.313 1552 F C -0.680 175.085 175.800 -0.058 0.000 1.130 1552 F CA -1.132 56.851 58.000 -0.028 0.000 0.936 1552 F CB 1.658 40.648 39.000 -0.017 0.000 1.219 1552 F HN 0.734 nan 8.300 nan 0.000 0.445 1553 A N 7.087 129.539 122.820 -0.613 0.000 2.318 1553 A HA 0.833 5.150 4.320 -0.006 0.000 0.324 1553 A C -0.959 176.187 177.584 -0.729 0.000 1.170 1553 A CA -0.573 51.168 52.037 -0.494 0.000 0.810 1553 A CB 0.518 19.332 19.000 -0.311 0.000 1.198 1553 A HN 0.763 nan 8.150 nan 0.000 0.484 1554 I N -0.098 120.170 120.570 -0.504 0.000 2.892 1554 I HA 0.883 5.049 4.170 -0.006 0.000 0.306 1554 I C 0.343 176.290 176.117 -0.283 0.000 1.078 1554 I CA -1.127 59.872 61.300 -0.502 0.000 1.032 1554 I CB 2.254 39.865 38.000 -0.648 0.000 1.229 1554 I HN 0.577 nan 8.210 nan 0.000 0.435 1555 G N 3.142 111.811 108.800 -0.218 0.000 2.425 1555 G HA2 0.580 4.536 3.960 -0.006 0.000 0.302 1555 G HA3 0.580 4.536 3.960 -0.006 0.000 0.302 1555 G C -1.368 173.486 174.900 -0.076 0.000 1.159 1555 G CA -0.533 44.495 45.100 -0.120 0.000 0.865 1555 G HN 0.540 nan 8.290 nan 0.000 0.515 1556 L N 3.342 124.534 121.223 -0.052 0.000 2.316 1556 L HA 0.521 4.857 4.340 -0.006 0.000 0.280 1556 L C -2.172 174.683 176.870 -0.024 0.000 1.006 1556 L CA -2.452 52.371 54.840 -0.028 0.000 0.836 1556 L CB 1.957 43.999 42.059 -0.028 0.000 1.221 1556 L HN 0.253 nan 8.230 nan 0.000 0.418 1557 P HA 0.361 nan 4.420 nan 0.000 0.292 1557 P C -2.486 174.776 177.300 -0.063 0.000 1.326 1557 P CA -1.757 61.317 63.100 -0.044 0.000 0.787 1557 P CB 1.137 32.807 31.700 -0.050 0.000 0.903 1558 P HA -0.184 nan 4.420 nan 0.000 0.216 1558 P C 1.043 178.278 177.300 -0.109 0.000 1.150 1558 P CA 1.568 64.637 63.100 -0.052 0.000 0.837 1558 P CB 0.042 31.735 31.700 -0.013 0.000 0.786 1559 E N -0.365 119.719 120.200 -0.194 0.000 2.204 1559 E HA -0.133 4.213 4.350 -0.006 0.000 0.195 1559 E C 1.478 177.833 176.600 -0.410 0.000 0.990 1559 E CA 0.938 57.108 56.400 -0.384 0.000 0.821 1559 E CB -0.561 28.708 29.700 -0.718 0.000 0.750 1559 E HN 0.355 nan 8.360 nan 0.000 0.477 1560 R N -0.266 120.061 120.500 -0.290 0.000 2.432 1560 R HA 0.283 4.620 4.340 -0.006 0.000 0.260 1560 R C -0.330 175.895 176.300 -0.125 0.000 0.935 1560 R CA -0.195 55.755 56.100 -0.251 0.000 1.080 1560 R CB 0.175 30.311 30.300 -0.273 0.000 1.155 1560 R HN 0.070 nan 8.270 nan 0.000 0.531 1561 C N 1.727 120.957 119.300 -0.116 0.000 2.452 1561 C HA 0.304 4.760 4.460 -0.006 0.000 0.379 1561 C C 0.528 175.436 174.990 -0.137 0.000 1.275 1561 C CA -0.515 58.480 59.018 -0.039 0.000 2.056 1561 C CB -0.096 27.632 27.740 -0.021 0.000 2.506 1561 C HN 0.409 nan 8.230 nan 0.000 0.560 1562 H N 0.934 119.971 119.070 -0.055 0.000 2.508 1562 H HA 0.761 5.314 4.556 -0.005 0.000 0.344 1562 H C -0.490 174.672 175.328 -0.276 0.000 1.192 1562 H CA -0.478 55.460 56.048 -0.183 0.000 1.290 1562 H CB 0.808 30.491 29.762 -0.130 0.000 1.571 1562 H HN 0.472 nan 8.280 nan 0.000 0.555 1563 L N 1.960 122.916 121.223 -0.445 0.000 2.464 1563 L HA 0.461 4.797 4.340 -0.006 0.000 0.266 1563 L C -1.901 174.629 176.870 -0.568 0.000 0.965 1563 L CA -0.308 54.334 54.840 -0.329 0.000 0.833 1563 L CB 0.826 42.807 42.059 -0.130 0.000 1.296 1563 L HN 0.501 nan 8.230 nan 0.000 0.405 1564 F N 3.149 123.182 119.950 0.138 0.000 2.540 1564 F HA 0.642 5.166 4.527 -0.005 0.000 0.317 1564 F C 0.511 176.352 175.800 0.069 0.000 1.104 1564 F CA -0.779 57.287 58.000 0.110 0.000 0.913 1564 F CB 1.739 40.806 39.000 0.111 0.000 1.170 1564 F HN 0.310 nan 8.300 nan 0.000 0.450 1565 R N 1.020 121.656 120.500 0.226 0.000 2.738 1565 R HA 0.125 4.461 4.340 -0.006 0.000 0.275 1565 R C 1.111 177.483 176.300 0.120 0.000 1.121 1565 R CA -0.462 55.720 56.100 0.136 0.000 1.207 1565 R CB 0.457 30.819 30.300 0.103 0.000 1.141 1565 R HN 0.763 nan 8.270 nan 0.000 0.571 1566 E N 0.836 121.081 120.200 0.074 0.000 2.160 1566 E HA -0.204 4.142 4.350 -0.006 0.000 0.195 1566 E C 0.837 177.457 176.600 0.033 0.000 0.991 1566 E CA 1.533 57.960 56.400 0.045 0.000 0.810 1566 E CB 0.027 29.745 29.700 0.031 0.000 0.742 1566 E HN 0.548 nan 8.360 nan 0.000 0.466 1567 D N -1.394 119.033 120.400 0.045 0.000 2.336 1567 D HA 0.012 4.648 4.640 -0.006 0.000 0.229 1567 D C 1.237 177.563 176.300 0.043 0.000 1.061 1567 D CA 0.833 54.854 54.000 0.035 0.000 0.875 1567 D CB 0.372 41.194 40.800 0.037 0.000 0.904 1567 D HN 0.233 nan 8.370 nan 0.000 0.525 1568 G N 0.202 109.040 108.800 0.062 0.000 2.317 1568 G HA2 -0.299 3.658 3.960 -0.006 0.000 0.227 1568 G HA3 -0.299 3.658 3.960 -0.006 0.000 0.227 1568 G C 0.618 175.636 174.900 0.197 0.000 1.042 1568 G CA 0.345 45.479 45.100 0.057 0.000 0.623 1568 G HN 0.823 nan 8.290 nan 0.000 0.509 1569 T N 0.171 114.840 114.554 0.193 0.000 2.937 1569 T HA 0.589 4.936 4.350 -0.006 0.000 0.316 1569 T C 0.541 175.439 174.700 0.330 0.000 1.079 1569 T CA 0.805 63.046 62.100 0.236 0.000 1.131 1569 T CB 1.698 70.655 68.868 0.148 0.000 1.000 1569 T HN 1.849 nan 8.240 nan 0.000 0.549 1570 A N 1.458 124.470 122.820 0.320 0.000 2.295 1570 A HA 0.565 4.882 4.320 -0.006 0.000 0.318 1570 A C 0.382 177.997 177.584 0.052 0.000 1.134 1570 A CA -0.997 51.131 52.037 0.152 0.000 0.827 1570 A CB 0.441 19.541 19.000 0.167 0.000 1.136 1570 A HN 1.079 nan 8.150 nan 0.000 0.493 1571 C N 1.939 121.212 119.300 -0.045 0.000 2.349 1571 C HA 0.636 5.093 4.460 -0.006 0.000 0.348 1571 C C 1.379 176.364 174.990 -0.010 0.000 1.223 1571 C CA -0.379 58.630 59.018 -0.015 0.000 1.746 1571 C CB -1.200 26.523 27.740 -0.027 0.000 2.360 1571 C HN 1.075 nan 8.230 nan 0.000 0.533 1572 R N 3.144 123.661 120.500 0.029 0.000 2.494 1572 R HA 0.034 4.370 4.340 -0.006 0.000 0.291 1572 R C 0.419 176.745 176.300 0.042 0.000 0.953 1572 R CA 0.594 56.723 56.100 0.049 0.000 1.098 1572 R CB -0.217 30.096 30.300 0.022 0.000 0.911 1572 R HN 0.847 nan 8.270 nan 0.000 0.407 1573 R N 2.235 122.795 120.500 0.100 0.000 2.543 1573 R HA 0.182 4.519 4.340 -0.006 0.000 0.277 1573 R C 0.558 176.925 176.300 0.110 0.000 1.074 1573 R CA -0.075 56.089 56.100 0.107 0.000 1.076 1573 R CB 0.572 30.964 30.300 0.154 0.000 0.993 1573 R HN 0.728 nan 8.270 nan 0.000 0.459 1574 L N 1.145 122.421 121.223 0.087 0.000 2.731 1574 L HA 0.116 4.452 4.340 -0.006 0.000 0.240 1574 L C 1.005 177.925 176.870 0.082 0.000 1.120 1574 L CA -0.109 54.760 54.840 0.049 0.000 0.913 1574 L CB 0.014 42.088 42.059 0.024 0.000 1.213 1574 L HN 0.571 nan 8.230 nan 0.000 0.515 1575 H N 2.664 121.759 119.070 0.041 0.000 2.975 1575 H HA 0.126 4.678 4.556 -0.007 0.000 0.303 1575 H C -0.019 175.356 175.328 0.078 0.000 1.023 1575 H CA 0.042 56.105 56.048 0.026 0.000 1.473 1575 H CB 0.796 30.546 29.762 -0.020 0.000 1.498 1575 H HN 0.060 nan 8.280 nan 0.000 0.549 1576 K N 5.512 125.660 120.400 -0.420 0.000 2.382 1576 K HA 0.063 4.380 4.320 -0.006 0.000 0.286 1576 K C 0.062 176.422 176.600 -0.399 0.000 1.062 1576 K CA -0.383 55.734 56.287 -0.283 0.000 1.000 1576 K CB 0.082 32.448 32.500 -0.224 0.000 0.954 1576 K HN 0.666 nan 8.250 nan 0.000 0.470 1577 E N 3.214 123.344 120.200 -0.117 0.000 2.167 1577 E HA 0.223 4.569 4.350 -0.006 0.000 0.284 1577 E C -2.195 174.323 176.600 -0.137 0.000 1.016 1577 E CA -2.080 54.177 56.400 -0.239 0.000 0.817 1577 E CB 1.187 30.494 29.700 -0.656 0.000 1.080 1577 E HN 0.473 nan 8.360 nan 0.000 0.397 1578 P HA 0.127 nan 4.420 nan 0.000 0.260 1578 P C 0.185 177.501 177.300 0.027 0.000 1.207 1578 P CA 0.645 63.731 63.100 -0.024 0.000 0.780 1578 P CB 0.245 31.943 31.700 -0.003 0.000 0.789 1579 G N 0.000 108.833 108.800 0.055 0.000 5.446 1579 G HA2 0.000 3.956 3.960 -0.006 0.000 0.244 1579 G HA3 0.000 3.956 3.960 -0.006 0.000 0.244 1579 G CA 0.000 45.161 45.100 0.102 0.000 0.502 1579 G HN 0.000 nan 8.290 nan 0.000 0.925