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_D DATA FIRST_RESID 1202 DATA SEQUENCE DIWPSGGQMT VKDLTAKYTE GGNAILENIS FSISPGQRVG LLGRTGSGKS DATA SEQUENCE TLLSAFLRLL NTEGEIQIDG VSWDSITLEQ WRKAFGVIPQ KVFIFSGTFR DATA SEQUENCE KNLDPNAAHS DQEIWKVADE VGLRSVIEQF PGKLDFVLVD GGCVLSHGHK DATA SEQUENCE QLMCLARSVL SKAKILLLDE PSAHLDPVTY QIIRRTLKQA FADCTVILCE DATA SEQUENCE ARIEAMLECD QFLVIEENKV RQYDSILELY HYPADRFVAG FIGSPKMNFL DATA SEQUENCE PVKVTATAID QVQVELPMPN RQQVWLPVES RDVQVGANMS LGIRPEHLLP DATA SEQUENCE SDIADVILEG EVQVVEQLGN ETQIHIQIPS IRQNLVYRQN DXXXVEEGAT DATA SEQUENCE FAIGLPPERC HLFREDGTAC RRLHKEPG 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 1202 D HA 0.000 nan 4.640 nan 0.000 0.175 1202 D C 0.000 176.363 176.300 0.105 0.000 2.045 1202 D CA 0.000 54.038 54.000 0.063 0.000 0.868 1202 D CB 0.000 40.829 40.800 0.049 0.000 0.688 1203 I N 0.914 121.543 120.570 0.097 0.000 2.494 1203 I HA 0.651 4.822 4.170 0.001 0.000 0.289 1203 I C 0.067 176.288 176.117 0.174 0.000 1.106 1203 I CA -0.410 60.955 61.300 0.108 0.000 1.369 1203 I CB -0.405 37.628 38.000 0.054 0.000 1.410 1203 I HN 0.725 nan 8.210 nan 0.000 0.523 1204 W N 9.178 130.471 121.300 -0.012 0.000 2.656 1204 W HA 0.794 5.455 4.660 0.001 0.000 0.327 1204 W C -2.431 174.058 176.519 -0.050 0.000 1.041 1204 W CA -2.127 55.203 57.345 -0.025 0.000 1.229 1204 W CB 1.701 31.157 29.460 -0.006 0.000 1.397 1204 W HN 0.565 nan 8.180 nan 0.000 0.479 1205 P HA 0.424 nan 4.420 nan 0.000 0.278 1205 P C -0.233 176.909 177.300 -0.263 0.000 1.266 1205 P CA -0.355 62.261 63.100 -0.806 0.000 0.807 1205 P CB 1.868 33.001 31.700 -0.945 0.000 1.094 1206 S N -0.591 115.030 115.700 -0.132 0.000 2.541 1206 S HA 0.168 4.639 4.470 0.001 0.000 0.219 1206 S C 1.695 176.254 174.600 -0.068 0.000 1.025 1206 S CA 0.706 58.877 58.200 -0.049 0.000 0.917 1206 S CB -0.765 62.448 63.200 0.022 0.000 0.859 1206 S HN 0.661 nan 8.310 nan 0.000 0.584 1207 G N -0.044 108.718 108.800 -0.063 0.000 2.662 1207 G HA2 0.445 4.406 3.960 0.001 0.000 0.207 1207 G HA3 0.445 4.406 3.960 0.001 0.000 0.207 1207 G C 0.848 175.695 174.900 -0.089 0.000 1.154 1207 G CA 0.554 45.620 45.100 -0.056 0.000 0.837 1207 G HN 1.028 nan 8.290 nan 0.000 0.580 1208 G N -0.756 107.973 108.800 -0.119 0.000 2.200 1208 G HA2 -0.088 3.872 3.960 0.001 0.000 0.145 1208 G HA3 -0.088 3.872 3.960 0.001 0.000 0.145 1208 G C 0.163 174.996 174.900 -0.112 0.000 1.021 1208 G CA 0.329 45.332 45.100 -0.162 0.000 0.720 1208 G HN 0.902 nan 8.290 nan 0.000 0.494 1209 Q N 0.267 120.033 119.800 -0.056 0.000 2.314 1209 Q HA 0.728 5.068 4.340 0.001 0.000 0.258 1209 Q C 0.087 176.092 176.000 0.008 0.000 0.954 1209 Q CA -0.282 55.517 55.803 -0.007 0.000 0.890 1209 Q CB 1.133 29.884 28.738 0.022 0.000 1.210 1209 Q HN 0.482 nan 8.270 nan 0.000 0.410 1210 M N 3.334 122.955 119.600 0.035 0.000 2.267 1210 M HA 0.456 4.937 4.480 0.001 0.000 0.289 1210 M C -1.541 174.805 176.300 0.076 0.000 1.043 1210 M CA -0.341 54.996 55.300 0.060 0.000 0.928 1210 M CB 2.365 34.980 32.600 0.026 0.000 1.613 1210 M HN 0.965 nan 8.290 nan 0.000 0.450 1211 T N 1.725 116.319 114.554 0.067 0.000 2.841 1211 T HA 0.774 5.125 4.350 0.001 0.000 0.283 1211 T C -0.899 173.759 174.700 -0.070 0.000 1.000 1211 T CA -0.749 61.354 62.100 0.005 0.000 0.977 1211 T CB 1.644 70.538 68.868 0.044 0.000 0.979 1211 T HN 0.411 nan 8.240 nan 0.000 0.446 1212 V N 1.667 121.425 119.914 -0.261 0.000 2.487 1212 V HA 0.862 4.983 4.120 0.001 0.000 0.298 1212 V C 0.108 176.089 176.094 -0.188 0.000 1.028 1212 V CA -0.953 61.147 62.300 -0.334 0.000 0.860 1212 V CB 1.368 32.671 31.823 -0.867 0.000 0.991 1212 V HN 1.284 nan 8.190 nan 0.000 0.427 1213 K N 1.768 122.123 120.400 -0.074 0.000 2.483 1213 K HA 0.568 4.889 4.320 0.001 0.000 0.256 1213 K C -0.136 176.465 176.600 0.002 0.000 0.961 1213 K CA -0.682 55.595 56.287 -0.017 0.000 0.873 1213 K CB 0.595 33.108 32.500 0.020 0.000 1.107 1213 K HN 0.794 nan 8.250 nan 0.000 0.432 1214 D N 0.976 121.379 120.400 0.004 0.000 2.890 1214 D HA -0.176 4.465 4.640 0.001 0.000 0.226 1214 D C -0.126 176.182 176.300 0.013 0.000 1.207 1214 D CA 0.832 54.843 54.000 0.017 0.000 0.764 1214 D CB -0.947 39.868 40.800 0.025 0.000 0.948 1214 D HN 0.654 nan 8.370 nan 0.000 0.404 1215 L N 0.687 121.905 121.223 -0.009 0.000 2.290 1215 L HA 0.283 4.624 4.340 0.001 0.000 0.284 1215 L C 0.143 176.997 176.870 -0.025 0.000 1.078 1215 L CA 0.116 54.936 54.840 -0.034 0.000 0.815 1215 L CB 0.824 42.827 42.059 -0.093 0.000 1.162 1215 L HN 0.021 nan 8.230 nan 0.000 0.435 1216 T N 4.714 119.254 114.554 -0.023 0.000 2.791 1216 T HA 0.606 4.956 4.350 0.001 0.000 0.288 1216 T C -0.344 174.322 174.700 -0.057 0.000 0.999 1216 T CA -0.449 61.636 62.100 -0.025 0.000 0.952 1216 T CB 1.405 70.273 68.868 0.000 0.000 0.938 1216 T HN 0.660 nan 8.240 nan 0.000 0.444 1217 A N 2.764 125.531 122.820 -0.088 0.000 2.273 1217 A HA 0.811 5.132 4.320 0.001 0.000 0.315 1217 A C 0.165 177.667 177.584 -0.136 0.000 1.256 1217 A CA -0.864 51.083 52.037 -0.150 0.000 0.851 1217 A CB 0.265 19.136 19.000 -0.216 0.000 1.172 1217 A HN 0.932 nan 8.150 nan 0.000 0.508 1218 K N 1.482 121.800 120.400 -0.135 0.000 2.371 1218 K HA 0.600 4.921 4.320 0.001 0.000 0.251 1218 K C -0.239 176.290 176.600 -0.119 0.000 0.934 1218 K CA -0.625 55.620 56.287 -0.069 0.000 0.798 1218 K CB 0.646 33.144 32.500 -0.004 0.000 1.204 1218 K HN 0.656 nan 8.250 nan 0.000 0.427 1219 Y N 0.678 120.976 120.300 -0.004 0.000 2.286 1219 Y HA 0.016 4.567 4.550 0.001 0.000 0.293 1219 Y C 1.146 177.050 175.900 0.006 0.000 1.124 1219 Y CA 1.522 59.622 58.100 -0.000 0.000 1.178 1219 Y CB 0.926 39.384 38.460 -0.003 0.000 1.010 1219 Y HN 0.615 nan 8.280 nan 0.000 0.536 1220 T N -0.802 113.842 114.554 0.150 0.000 2.885 1220 T HA 0.362 4.712 4.350 0.001 0.000 0.285 1220 T C 1.215 175.946 174.700 0.052 0.000 1.019 1220 T CA 0.091 62.242 62.100 0.086 0.000 1.010 1220 T CB 1.709 70.621 68.868 0.073 0.000 1.022 1220 T HN 0.293 nan 8.240 nan 0.000 0.466 1221 E N 1.375 121.597 120.200 0.038 0.000 2.171 1221 E HA -0.025 4.326 4.350 0.001 0.000 0.197 1221 E C 1.618 178.232 176.600 0.023 0.000 0.997 1221 E CA 1.381 57.796 56.400 0.025 0.000 0.810 1221 E CB -0.645 29.067 29.700 0.020 0.000 0.738 1221 E HN 0.861 nan 8.360 nan 0.000 0.467 1222 G N -0.638 108.178 108.800 0.026 0.000 4.331 1222 G HA2 0.507 4.468 3.960 0.001 0.000 0.299 1222 G HA3 0.507 4.468 3.960 0.001 0.000 0.299 1222 G C 0.662 175.578 174.900 0.027 0.000 1.158 1222 G CA 0.624 45.738 45.100 0.022 0.000 0.916 1222 G HN 0.631 nan 8.290 nan 0.000 0.553 1223 G N -0.141 108.681 108.800 0.038 0.000 2.975 1223 G HA2 0.496 4.457 3.960 0.001 0.000 0.159 1223 G HA3 0.496 4.457 3.960 0.001 0.000 0.159 1223 G C -0.024 174.901 174.900 0.041 0.000 1.525 1223 G CA 0.200 45.327 45.100 0.045 0.000 1.075 1223 G HN 0.731 nan 8.290 nan 0.000 0.574 1224 N N -0.993 117.739 118.700 0.053 0.000 2.296 1224 N HA 0.671 5.411 4.740 0.001 0.000 0.294 1224 N C -0.210 175.336 175.510 0.060 0.000 1.033 1224 N CA -0.087 52.990 53.050 0.045 0.000 0.839 1224 N CB 1.840 40.348 38.487 0.034 0.000 1.395 1224 N HN 1.058 nan 8.380 nan 0.000 0.479 1225 A N 1.347 124.191 122.820 0.040 0.000 2.438 1225 A HA 0.483 4.803 4.320 0.001 0.000 0.280 1225 A C 0.933 178.540 177.584 0.037 0.000 1.160 1225 A CA -0.187 51.869 52.037 0.032 0.000 0.821 1225 A CB -0.534 18.475 19.000 0.016 0.000 1.101 1225 A HN 0.782 nan 8.150 nan 0.000 0.515 1226 I N 2.111 122.714 120.570 0.054 0.000 2.439 1226 I HA -0.059 4.112 4.170 0.001 0.000 0.251 1226 I C 0.486 176.616 176.117 0.022 0.000 1.139 1226 I CA 1.279 62.614 61.300 0.058 0.000 1.438 1226 I CB -0.091 37.986 38.000 0.128 0.000 1.085 1226 I HN 0.561 nan 8.210 nan 0.000 0.427 1227 L N -0.281 120.942 121.223 0.000 0.000 2.343 1227 L HA 0.438 4.778 4.340 0.001 0.000 0.278 1227 L C 1.172 178.042 176.870 -0.002 0.000 0.996 1227 L CA -0.393 54.444 54.840 -0.005 0.000 0.831 1227 L CB 1.297 43.340 42.059 -0.026 0.000 1.232 1227 L HN 0.068 nan 8.230 nan 0.000 0.413 1228 E N 3.175 123.381 120.200 0.010 0.000 1.998 1228 E HA -0.013 4.338 4.350 0.001 0.000 0.195 1228 E C 0.418 177.027 176.600 0.015 0.000 0.994 1228 E CA 1.198 57.606 56.400 0.013 0.000 0.835 1228 E CB -0.001 29.710 29.700 0.017 0.000 0.786 1228 E HN 0.675 nan 8.360 nan 0.000 0.467 1229 N N -0.292 118.423 118.700 0.024 0.000 2.533 1229 N HA 0.430 5.171 4.740 0.001 0.000 0.289 1229 N C -1.721 173.816 175.510 0.045 0.000 1.103 1229 N CA -0.219 52.848 53.050 0.028 0.000 0.877 1229 N CB 1.709 40.212 38.487 0.027 0.000 1.419 1229 N HN 0.315 nan 8.380 nan 0.000 0.517 1230 I N 1.271 121.870 120.570 0.048 0.000 2.436 1230 I HA 0.327 4.498 4.170 0.001 0.000 0.289 1230 I C -0.294 175.869 176.117 0.078 0.000 1.010 1230 I CA -0.312 61.047 61.300 0.099 0.000 1.098 1230 I CB 1.712 39.794 38.000 0.136 0.000 1.266 1230 I HN 0.189 nan 8.210 nan 0.000 0.434 1231 S N 6.411 122.188 115.700 0.129 0.000 2.538 1231 S HA 0.842 5.313 4.470 0.001 0.000 0.288 1231 S C -0.899 173.833 174.600 0.220 0.000 1.108 1231 S CA -0.542 57.694 58.200 0.060 0.000 0.971 1231 S CB 1.718 64.948 63.200 0.050 0.000 1.041 1231 S HN 0.515 nan 8.310 nan 0.000 0.483 1232 F N -0.815 119.185 119.950 0.083 0.000 2.858 1232 F HA 0.815 5.343 4.527 0.001 0.000 0.319 1232 F C -1.127 174.732 175.800 0.098 0.000 1.166 1232 F CA -1.055 56.998 58.000 0.088 0.000 0.899 1232 F CB 0.828 39.888 39.000 0.100 0.000 1.332 1232 F HN 0.478 nan 8.300 nan 0.000 0.461 1233 S N 0.656 116.566 115.700 0.350 0.000 2.572 1233 S HA 0.802 5.273 4.470 0.001 0.000 0.274 1233 S C -1.489 173.265 174.600 0.256 0.000 1.150 1233 S CA -0.617 57.713 58.200 0.218 0.000 0.944 1233 S CB 1.418 64.688 63.200 0.117 0.000 1.071 1233 S HN 0.807 nan 8.310 nan 0.000 0.479 1234 I N 2.481 123.183 120.570 0.219 0.000 2.378 1234 I HA 0.367 4.538 4.170 0.001 0.000 0.291 1234 I C 0.279 176.445 176.117 0.082 0.000 0.992 1234 I CA -0.533 60.859 61.300 0.153 0.000 1.154 1234 I CB 2.102 40.194 38.000 0.153 0.000 1.315 1234 I HN 0.656 nan 8.210 nan 0.000 0.448 1235 S N 7.380 123.116 115.700 0.060 0.000 2.579 1235 S HA 0.218 4.688 4.470 0.001 0.000 0.275 1235 S C -2.280 172.328 174.600 0.014 0.000 1.345 1235 S CA -0.837 57.385 58.200 0.037 0.000 1.031 1235 S CB 0.139 63.359 63.200 0.034 0.000 0.892 1235 S HN 0.429 nan 8.310 nan 0.000 0.529 1236 P HA 0.204 nan 4.420 nan 0.000 0.271 1236 P C 0.508 177.798 177.300 -0.016 0.000 1.216 1236 P CA 0.406 63.497 63.100 -0.016 0.000 0.771 1236 P CB 0.189 31.881 31.700 -0.014 0.000 0.864 1237 G N 1.631 110.414 108.800 -0.027 0.000 2.225 1237 G HA2 -0.191 3.770 3.960 0.001 0.000 0.264 1237 G HA3 -0.191 3.770 3.960 0.001 0.000 0.264 1237 G C -0.149 174.739 174.900 -0.019 0.000 1.060 1237 G CA -0.337 44.750 45.100 -0.020 0.000 0.833 1237 G HN 0.600 nan 8.290 nan 0.000 0.498 1238 Q N -0.672 119.113 119.800 -0.025 0.000 2.322 1238 Q HA 0.401 4.741 4.340 0.001 0.000 0.265 1238 Q C 0.322 176.293 176.000 -0.049 0.000 0.985 1238 Q CA -0.772 55.013 55.803 -0.030 0.000 0.849 1238 Q CB 1.646 30.375 28.738 -0.016 0.000 1.274 1238 Q HN 0.471 nan 8.270 nan 0.000 0.449 1239 R N 2.078 122.539 120.500 -0.066 0.000 2.220 1239 R HA 0.353 4.693 4.340 0.001 0.000 0.340 1239 R C -0.980 175.226 176.300 -0.156 0.000 1.076 1239 R CA -0.136 55.910 56.100 -0.089 0.000 0.920 1239 R CB 0.345 30.599 30.300 -0.077 0.000 1.062 1239 R HN 0.257 nan 8.270 nan 0.000 0.469 1240 V N 4.053 123.885 119.914 -0.138 0.000 2.384 1240 V HA 0.428 4.548 4.120 0.001 0.000 0.287 1240 V C 0.688 176.683 176.094 -0.165 0.000 1.020 1240 V CA -0.891 61.302 62.300 -0.179 0.000 0.850 1240 V CB 1.677 33.450 31.823 -0.083 0.000 0.987 1240 V HN 0.903 nan 8.190 nan 0.000 0.436 1241 G N 4.173 112.791 108.800 -0.303 0.000 2.355 1241 G HA2 0.488 4.449 3.960 0.001 0.000 0.276 1241 G HA3 0.488 4.449 3.960 0.001 0.000 0.276 1241 G C -0.879 174.094 174.900 0.122 0.000 1.198 1241 G CA -0.269 44.813 45.100 -0.030 0.000 0.876 1241 G HN 0.558 nan 8.290 nan 0.000 0.478 1242 L N 3.011 124.296 121.223 0.103 0.000 2.272 1242 L HA 0.726 5.066 4.340 0.001 0.000 0.289 1242 L C -0.758 176.152 176.870 0.067 0.000 1.032 1242 L CA -0.560 54.326 54.840 0.076 0.000 0.810 1242 L CB 1.175 43.274 42.059 0.067 0.000 1.205 1242 L HN 0.345 nan 8.230 nan 0.000 0.422 1243 L N 4.156 125.393 121.223 0.024 0.000 2.309 1243 L HA 1.048 5.389 4.340 0.001 0.000 0.261 1243 L C 0.094 176.988 176.870 0.041 0.000 1.021 1243 L CA -0.114 54.706 54.840 -0.034 0.000 0.823 1243 L CB 2.232 44.136 42.059 -0.258 0.000 1.366 1243 L HN 0.736 nan 8.230 nan 0.000 0.423 1244 G N -1.095 107.765 108.800 0.100 0.000 2.358 1244 G HA2 0.539 4.499 3.960 0.001 0.000 0.301 1244 G HA3 0.539 4.499 3.960 0.001 0.000 0.301 1244 G C -1.397 173.231 174.900 -0.454 0.000 1.539 1244 G CA -0.377 44.650 45.100 -0.121 0.000 0.893 1244 G HN 0.591 nan 8.290 nan 0.000 0.636 1245 R N -0.261 119.766 120.500 -0.788 0.000 2.738 1245 R HA 0.705 5.046 4.340 0.001 0.000 0.268 1245 R C 0.945 177.074 176.300 -0.286 0.000 1.062 1245 R CA 0.637 56.292 56.100 -0.741 0.000 1.158 1245 R CB -0.530 29.402 30.300 -0.614 0.000 1.046 1245 R HN 1.306 nan 8.270 nan 0.000 0.493 1246 T N 1.344 115.793 114.554 -0.175 0.000 2.708 1246 T HA 0.364 4.714 4.350 0.001 0.000 0.271 1246 T C 1.456 176.111 174.700 -0.075 0.000 0.985 1246 T CA 1.485 63.540 62.100 -0.075 0.000 1.229 1246 T CB -0.284 68.559 68.868 -0.041 0.000 0.934 1246 T HN 1.708 nan 8.240 nan 0.000 0.522 1247 G N 2.704 111.472 108.800 -0.054 0.000 2.179 1247 G HA2 -0.326 3.634 3.960 0.001 0.000 0.220 1247 G HA3 -0.326 3.634 3.960 0.001 0.000 0.220 1247 G C 1.247 176.122 174.900 -0.042 0.000 0.990 1247 G CA 0.447 45.523 45.100 -0.041 0.000 0.646 1247 G HN 0.868 nan 8.290 nan 0.000 0.517 1248 S N -0.375 115.285 115.700 -0.066 0.000 2.382 1248 S HA 0.353 4.824 4.470 0.001 0.000 0.228 1248 S C 1.984 176.569 174.600 -0.026 0.000 1.027 1248 S CA 1.727 59.890 58.200 -0.063 0.000 0.991 1248 S CB 0.017 63.154 63.200 -0.105 0.000 0.823 1248 S HN 2.366 nan 8.310 nan 0.000 0.469 1249 G N 0.649 109.442 108.800 -0.012 0.000 2.244 1249 G HA2 -0.079 3.882 3.960 0.001 0.000 0.163 1249 G HA3 -0.079 3.882 3.960 0.001 0.000 0.163 1249 G C 0.343 175.241 174.900 -0.004 0.000 1.064 1249 G CA 0.023 45.128 45.100 0.008 0.000 0.757 1249 G HN 0.386 nan 8.290 nan 0.000 0.484 1250 K N 0.228 120.631 120.400 0.005 0.000 1.984 1250 K HA 0.032 4.353 4.320 0.001 0.000 0.209 1250 K C 2.592 179.203 176.600 0.017 0.000 1.046 1250 K CA 1.607 57.902 56.287 0.013 0.000 0.934 1250 K CB -0.205 32.317 32.500 0.036 0.000 0.717 1250 K HN 0.214 nan 8.250 nan 0.000 0.438 1251 S N 0.531 116.253 115.700 0.036 0.000 2.399 1251 S HA -0.115 4.356 4.470 0.001 0.000 0.231 1251 S C 1.911 176.528 174.600 0.028 0.000 1.022 1251 S CA 1.593 59.819 58.200 0.043 0.000 0.983 1251 S CB -0.325 62.909 63.200 0.057 0.000 0.803 1251 S HN 0.351 nan 8.310 nan 0.000 0.480 1252 T N 2.567 117.143 114.554 0.037 0.000 2.788 1252 T HA 0.024 4.374 4.350 0.001 0.000 0.268 1252 T C 1.692 176.304 174.700 -0.147 0.000 1.044 1252 T CA 0.687 62.784 62.100 -0.005 0.000 1.139 1252 T CB -0.301 68.598 68.868 0.053 0.000 0.867 1252 T HN 0.249 nan 8.240 nan 0.000 0.454 1253 L N 0.612 121.736 121.223 -0.165 0.000 2.017 1253 L HA -0.060 4.281 4.340 0.001 0.000 0.208 1253 L C 2.306 178.865 176.870 -0.517 0.000 1.073 1253 L CA 1.515 56.142 54.840 -0.355 0.000 0.745 1253 L CB -0.351 41.550 42.059 -0.263 0.000 0.894 1253 L HN 0.313 nan 8.230 nan 0.000 0.432 1254 L N -1.181 119.935 121.223 -0.179 0.000 2.083 1254 L HA -0.192 4.148 4.340 0.001 0.000 0.209 1254 L C 2.542 179.389 176.870 -0.039 0.000 1.083 1254 L CA 1.088 55.947 54.840 0.033 0.000 0.752 1254 L CB -0.587 41.530 42.059 0.096 0.000 0.899 1254 L HN 0.177 nan 8.230 nan 0.000 0.433 1255 S N 0.082 115.730 115.700 -0.086 0.000 2.402 1255 S HA -0.063 4.408 4.470 0.001 0.000 0.229 1255 S C 2.192 176.704 174.600 -0.147 0.000 1.021 1255 S CA 1.045 59.196 58.200 -0.081 0.000 0.974 1255 S CB -0.176 62.990 63.200 -0.056 0.000 0.800 1255 S HN 0.489 nan 8.310 nan 0.000 0.484 1256 A N 0.635 123.302 122.820 -0.255 0.000 2.016 1256 A HA 0.154 4.474 4.320 0.001 0.000 0.217 1256 A C 1.758 179.182 177.584 -0.267 0.000 1.162 1256 A CA 0.652 52.503 52.037 -0.311 0.000 0.662 1256 A CB -0.774 17.993 19.000 -0.388 0.000 0.812 1256 A HN 0.505 nan 8.150 nan 0.000 0.450 1257 F N -0.014 119.828 119.950 -0.181 0.000 2.126 1257 F HA -0.138 4.389 4.527 0.001 0.000 0.299 1257 F C 1.834 177.516 175.800 -0.197 0.000 1.096 1257 F CA 0.897 58.765 58.000 -0.219 0.000 1.255 1257 F CB -0.141 38.626 39.000 -0.389 0.000 0.997 1257 F HN 0.104 nan 8.300 nan 0.000 0.479 1258 L N -0.218 120.982 121.223 -0.038 0.000 2.599 1258 L HA 0.044 4.385 4.340 0.001 0.000 0.230 1258 L C 0.487 177.456 176.870 0.166 0.000 1.141 1258 L CA -0.125 54.736 54.840 0.034 0.000 0.877 1258 L CB -0.278 41.764 42.059 -0.027 0.000 1.009 1258 L HN 0.068 nan 8.230 nan 0.000 0.447 1259 R N 0.580 121.114 120.500 0.058 0.000 3.079 1259 R HA -0.217 4.124 4.340 0.001 0.000 0.254 1259 R C -0.155 176.175 176.300 0.050 0.000 0.900 1259 R CA 0.343 56.457 56.100 0.022 0.000 0.641 1259 R CB -1.692 28.683 30.300 0.125 0.000 1.307 1259 R HN 0.225 nan 8.270 nan 0.000 0.477 1260 L N 1.383 122.603 121.223 -0.005 0.000 2.808 1260 L HA 0.412 4.752 4.340 0.001 0.000 0.246 1260 L C -0.412 176.447 176.870 -0.019 0.000 1.153 1260 L CA 0.247 55.095 54.840 0.014 0.000 0.956 1260 L CB 0.412 42.485 42.059 0.024 0.000 1.270 1260 L HN 0.484 nan 8.230 nan 0.000 0.528 1261 L N -5.078 116.100 121.223 -0.075 0.000 2.510 1261 L HA 0.449 4.790 4.340 0.001 0.000 0.252 1261 L C -0.254 176.571 176.870 -0.076 0.000 1.091 1261 L CA -1.069 53.699 54.840 -0.119 0.000 0.888 1261 L CB 0.395 42.240 42.059 -0.356 0.000 1.507 1261 L HN -0.257 nan 8.230 nan 0.000 0.407 1262 N N 0.402 119.062 118.700 -0.067 0.000 2.427 1262 N HA 0.281 5.022 4.740 0.001 0.000 0.269 1262 N C -0.997 174.498 175.510 -0.025 0.000 1.235 1262 N CA 0.221 53.261 53.050 -0.016 0.000 0.934 1262 N CB 0.417 38.903 38.487 -0.003 0.000 1.121 1262 N HN 0.666 nan 8.380 nan 0.000 0.480 1263 T N 1.610 116.197 114.554 0.054 0.000 2.824 1263 T HA 0.256 4.606 4.350 0.001 0.000 0.282 1263 T C -0.272 174.551 174.700 0.204 0.000 0.993 1263 T CA -0.625 61.511 62.100 0.060 0.000 0.967 1263 T CB 2.157 70.983 68.868 -0.071 0.000 0.960 1263 T HN 0.424 nan 8.240 nan 0.000 0.441 1264 E N 1.261 121.536 120.200 0.125 0.000 2.199 1264 E HA 0.668 5.019 4.350 0.001 0.000 0.269 1264 E C 0.272 176.972 176.600 0.167 0.000 0.899 1264 E CA 0.114 56.602 56.400 0.147 0.000 0.772 1264 E CB 0.981 30.720 29.700 0.065 0.000 1.155 1264 E HN 1.016 nan 8.360 nan 0.000 0.408 1265 G N 2.863 111.802 108.800 0.231 0.000 2.352 1265 G HA2 -0.052 3.908 3.960 0.001 0.000 0.324 1265 G HA3 -0.052 3.908 3.960 0.001 0.000 0.324 1265 G C -1.345 173.793 174.900 0.397 0.000 1.249 1265 G CA -0.838 44.385 45.100 0.204 0.000 1.053 1265 G HN 0.468 nan 8.290 nan 0.000 0.492 1266 E N 0.064 120.432 120.200 0.279 0.000 2.191 1266 E HA 0.587 4.938 4.350 0.001 0.000 0.263 1266 E C -0.493 176.229 176.600 0.204 0.000 0.881 1266 E CA -0.402 56.217 56.400 0.365 0.000 0.757 1266 E CB 1.576 31.389 29.700 0.188 0.000 1.147 1266 E HN 0.545 nan 8.360 nan 0.000 0.414 1267 I N 1.881 122.581 120.570 0.217 0.000 2.406 1267 I HA 0.317 4.487 4.170 0.001 0.000 0.290 1267 I C -0.023 176.354 176.117 0.432 0.000 0.999 1267 I CA -0.618 60.760 61.300 0.131 0.000 1.124 1267 I CB 1.460 39.392 38.000 -0.112 0.000 1.289 1267 I HN 0.101 nan 8.210 nan 0.000 0.441 1268 Q N 5.724 125.760 119.800 0.394 0.000 2.292 1268 Q HA 0.524 4.865 4.340 0.001 0.000 0.270 1268 Q C -1.255 174.966 176.000 0.367 0.000 1.024 1268 Q CA -0.803 55.254 55.803 0.424 0.000 0.768 1268 Q CB 3.447 32.339 28.738 0.257 0.000 1.250 1268 Q HN 0.641 nan 8.270 nan 0.000 0.447 1269 I N 2.497 123.335 120.570 0.447 0.000 2.339 1269 I HA 0.272 4.442 4.170 0.001 0.000 0.290 1269 I C -0.630 175.698 176.117 0.352 0.000 0.994 1269 I CA 0.247 61.688 61.300 0.234 0.000 1.191 1269 I CB 0.852 38.800 38.000 -0.086 0.000 1.343 1269 I HN 0.564 nan 8.210 nan 0.000 0.458 1270 D N 5.751 126.271 120.400 0.200 0.000 2.708 1270 D HA -0.185 4.456 4.640 0.001 0.000 0.236 1270 D C 0.992 177.422 176.300 0.216 0.000 1.146 1270 D CA 1.623 55.744 54.000 0.203 0.000 0.662 1270 D CB -1.315 39.623 40.800 0.229 0.000 1.059 1270 D HN 1.384 nan 8.370 nan 0.000 0.428 1271 G N -1.739 107.167 108.800 0.177 0.000 2.198 1271 G HA2 -0.242 3.718 3.960 0.001 0.000 0.260 1271 G HA3 -0.242 3.718 3.960 0.001 0.000 0.260 1271 G C 0.220 175.192 174.900 0.120 0.000 1.025 1271 G CA 0.318 45.496 45.100 0.131 0.000 0.769 1271 G HN 0.686 nan 8.290 nan 0.000 0.507 1272 V N 0.396 120.420 119.914 0.183 0.000 2.444 1272 V HA 0.681 4.802 4.120 0.001 0.000 0.294 1272 V C 0.751 176.986 176.094 0.234 0.000 1.022 1272 V CA -0.164 62.197 62.300 0.103 0.000 0.850 1272 V CB 1.610 33.358 31.823 -0.124 0.000 0.992 1272 V HN 0.519 nan 8.190 nan 0.000 0.426 1273 S N 4.936 120.711 115.700 0.125 0.000 2.584 1273 S HA 0.148 4.619 4.470 0.001 0.000 0.270 1273 S C 0.829 175.478 174.600 0.083 0.000 1.346 1273 S CA -0.399 57.881 58.200 0.133 0.000 1.018 1273 S CB 0.383 63.579 63.200 -0.007 0.000 0.899 1273 S HN 0.910 nan 8.310 nan 0.000 0.542 1274 W N 3.456 124.566 121.300 -0.316 0.000 3.405 1274 W HA 0.277 4.937 4.660 0.001 0.000 0.300 1274 W C -0.261 175.977 176.519 -0.469 0.000 1.286 1274 W CA -0.177 56.679 57.345 -0.816 0.000 1.762 1274 W CB -0.680 27.846 29.460 -1.556 0.000 1.087 1274 W HN 0.584 nan 8.180 nan 0.000 0.703 1275 D N 0.628 120.662 120.400 -0.609 0.000 2.422 1275 D HA -0.078 4.563 4.640 0.001 0.000 0.218 1275 D C 1.798 177.903 176.300 -0.324 0.000 1.047 1275 D CA 1.081 54.716 54.000 -0.609 0.000 0.885 1275 D CB 0.111 40.533 40.800 -0.630 0.000 1.035 1275 D HN 0.173 nan 8.370 nan 0.000 0.502 1276 S N -0.057 115.508 115.700 -0.226 0.000 2.614 1276 S HA 0.305 4.776 4.470 0.001 0.000 0.230 1276 S C 0.534 175.062 174.600 -0.119 0.000 0.952 1276 S CA -0.370 57.736 58.200 -0.155 0.000 0.949 1276 S CB 0.131 63.250 63.200 -0.135 0.000 0.786 1276 S HN 0.044 nan 8.310 nan 0.000 0.478 1277 I N 1.450 121.964 120.570 -0.093 0.000 2.686 1277 I HA 0.288 4.458 4.170 0.001 0.000 0.295 1277 I C -0.439 175.710 176.117 0.052 0.000 1.114 1277 I CA -0.763 60.531 61.300 -0.009 0.000 1.038 1277 I CB 2.533 40.550 38.000 0.029 0.000 1.238 1277 I HN 0.034 nan 8.210 nan 0.000 0.420 1278 T N 5.195 119.800 114.554 0.086 0.000 2.900 1278 T HA 0.203 4.554 4.350 0.001 0.000 0.307 1278 T C 1.587 176.411 174.700 0.207 0.000 1.065 1278 T CA -0.425 61.736 62.100 0.102 0.000 1.105 1278 T CB 0.734 69.650 68.868 0.081 0.000 0.979 1278 T HN 0.389 nan 8.240 nan 0.000 0.544 1279 L N 1.341 122.670 121.223 0.176 0.000 1.990 1279 L HA -0.185 4.156 4.340 0.001 0.000 0.213 1279 L C 3.309 180.359 176.870 0.300 0.000 1.072 1279 L CA 2.263 57.254 54.840 0.252 0.000 0.755 1279 L CB -1.292 40.865 42.059 0.163 0.000 0.889 1279 L HN 0.939 nan 8.230 nan 0.000 0.432 1280 E N 0.038 120.355 120.200 0.194 0.000 2.204 1280 E HA -0.237 4.114 4.350 0.001 0.000 0.194 1280 E C 1.992 178.719 176.600 0.210 0.000 0.989 1280 E CA 1.419 57.917 56.400 0.163 0.000 0.824 1280 E CB -0.591 29.157 29.700 0.081 0.000 0.756 1280 E HN 0.682 nan 8.360 nan 0.000 0.477 1281 Q N -1.653 118.301 119.800 0.257 0.000 2.096 1281 Q HA -0.029 4.311 4.340 0.001 0.000 0.197 1281 Q C 2.210 178.505 176.000 0.492 0.000 0.964 1281 Q CA 0.949 56.942 55.803 0.317 0.000 0.838 1281 Q CB -0.152 28.750 28.738 0.274 0.000 0.906 1281 Q HN 0.843 nan 8.270 nan 0.000 0.444 1282 W N 1.992 123.509 121.300 0.362 0.000 2.363 1282 W HA -0.146 4.515 4.660 0.001 0.000 0.296 1282 W C 1.345 178.135 176.519 0.451 0.000 1.212 1282 W CA 1.179 58.819 57.345 0.492 0.000 1.260 1282 W CB 0.045 29.769 29.460 0.440 0.000 1.131 1282 W HN 0.063 nan 8.180 nan 0.000 0.530 1283 R N 0.347 121.104 120.500 0.428 0.000 2.189 1283 R HA -0.103 4.238 4.340 0.001 0.000 0.218 1283 R C 2.224 178.641 176.300 0.195 0.000 1.074 1283 R CA 1.032 57.325 56.100 0.320 0.000 0.991 1283 R CB -0.369 30.090 30.300 0.265 0.000 0.883 1283 R HN 0.053 nan 8.270 nan 0.000 0.457 1284 K N 0.594 121.073 120.400 0.132 0.000 2.283 1284 K HA -0.028 4.292 4.320 0.001 0.000 0.202 1284 K C 1.784 178.313 176.600 -0.118 0.000 1.048 1284 K CA 0.930 57.247 56.287 0.049 0.000 0.948 1284 K CB 0.081 32.635 32.500 0.090 0.000 0.742 1284 K HN 0.143 nan 8.250 nan 0.000 0.458 1285 A N 0.405 123.023 122.820 -0.337 0.000 2.014 1285 A HA 0.019 4.339 4.320 0.001 0.000 0.218 1285 A C 0.369 177.501 177.584 -0.752 0.000 1.163 1285 A CA 0.684 52.257 52.037 -0.774 0.000 0.652 1285 A CB -0.158 18.020 19.000 -1.370 0.000 0.808 1285 A HN 0.162 nan 8.150 nan 0.000 0.449 1286 F N -0.840 118.926 119.950 -0.307 0.000 2.425 1286 F HA 0.559 5.086 4.527 0.001 0.000 0.331 1286 F C 0.897 176.598 175.800 -0.165 0.000 1.085 1286 F CA -0.434 57.416 58.000 -0.250 0.000 1.028 1286 F CB 1.600 40.467 39.000 -0.221 0.000 1.177 1286 F HN 0.015 nan 8.300 nan 0.000 0.487 1287 G N 1.702 110.492 108.800 -0.017 0.000 2.588 1287 G HA2 0.534 4.494 3.960 0.001 0.000 0.312 1287 G HA3 0.534 4.494 3.960 0.001 0.000 0.312 1287 G C -1.588 173.274 174.900 -0.064 0.000 1.257 1287 G CA -0.507 44.541 45.100 -0.087 0.000 0.994 1287 G HN 0.464 nan 8.290 nan 0.000 0.498 1288 V N 4.680 124.596 119.914 0.004 0.000 2.311 1288 V HA 0.530 4.650 4.120 0.001 0.000 0.275 1288 V C 0.093 176.196 176.094 0.015 0.000 1.022 1288 V CA -0.518 61.790 62.300 0.014 0.000 0.830 1288 V CB 0.253 32.098 31.823 0.036 0.000 1.012 1288 V HN 0.695 nan 8.190 nan 0.000 0.452 1289 I N 3.718 124.293 120.570 0.007 0.000 2.607 1289 I HA 0.650 4.820 4.170 0.001 0.000 0.290 1289 I C -2.771 173.379 176.117 0.055 0.000 1.129 1289 I CA -2.386 58.931 61.300 0.028 0.000 1.042 1289 I CB 2.742 40.756 38.000 0.024 0.000 1.242 1289 I HN 0.304 nan 8.210 nan 0.000 0.421 1290 P HA 0.148 nan 4.420 nan 0.000 0.272 1290 P C -1.351 175.964 177.300 0.025 0.000 1.230 1290 P CA -0.024 63.109 63.100 0.055 0.000 0.788 1290 P CB 1.270 33.016 31.700 0.076 0.000 0.949 1291 Q N -0.385 119.427 119.800 0.021 0.000 2.379 1291 Q HA 0.479 4.820 4.340 0.001 0.000 0.278 1291 Q C -0.593 175.421 176.000 0.023 0.000 1.068 1291 Q CA -0.813 55.011 55.803 0.035 0.000 0.816 1291 Q CB 1.639 30.412 28.738 0.058 0.000 1.387 1291 Q HN 0.371 nan 8.270 nan 0.000 0.413 1292 K N 1.812 122.235 120.400 0.038 0.000 2.307 1292 K HA 0.271 4.592 4.320 0.001 0.000 0.285 1292 K C -0.394 176.179 176.600 -0.045 0.000 1.073 1292 K CA -0.040 56.234 56.287 -0.021 0.000 0.996 1292 K CB -0.654 31.842 32.500 -0.006 0.000 0.994 1292 K HN 0.402 nan 8.250 nan 0.000 0.452 1293 V N 3.394 123.248 119.914 -0.100 0.000 2.479 1293 V HA 0.263 4.384 4.120 0.001 0.000 0.281 1293 V C -0.121 175.860 176.094 -0.188 0.000 1.031 1293 V CA -0.215 62.040 62.300 -0.075 0.000 1.038 1293 V CB -0.551 31.215 31.823 -0.095 0.000 0.981 1293 V HN 0.653 nan 8.190 nan 0.000 0.478 1294 F N 5.367 125.329 119.950 0.020 0.000 2.361 1294 F HA 0.533 5.060 4.527 0.001 0.000 0.364 1294 F C 0.346 176.040 175.800 -0.176 0.000 1.120 1294 F CA -0.360 57.679 58.000 0.065 0.000 1.102 1294 F CB 1.047 40.221 39.000 0.290 0.000 1.183 1294 F HN 0.291 nan 8.300 nan 0.000 0.476 1295 I N 5.302 125.831 120.570 -0.069 0.000 2.312 1295 I HA 0.243 4.413 4.170 0.001 0.000 0.290 1295 I C -0.523 175.536 176.117 -0.097 0.000 1.008 1295 I CA -0.645 60.477 61.300 -0.296 0.000 1.226 1295 I CB 0.494 38.358 38.000 -0.227 0.000 1.371 1295 I HN 0.279 nan 8.210 nan 0.000 0.468 1296 F N 3.526 123.491 119.950 0.026 0.000 2.403 1296 F HA 0.189 4.716 4.527 0.001 0.000 0.320 1296 F C 1.226 177.004 175.800 -0.035 0.000 1.176 1296 F CA -1.045 56.965 58.000 0.016 0.000 1.206 1296 F CB 0.160 39.167 39.000 0.012 0.000 1.235 1296 F HN 0.276 nan 8.300 nan 0.000 0.565 1297 S N 0.551 116.353 115.700 0.170 0.000 2.465 1297 S HA 0.532 5.002 4.470 0.001 0.000 0.280 1297 S C 0.229 174.844 174.600 0.025 0.000 1.232 1297 S CA 0.571 58.800 58.200 0.047 0.000 1.066 1297 S CB -0.915 62.306 63.200 0.035 0.000 0.929 1297 S HN 1.215 nan 8.310 nan 0.000 0.494 1298 G N 3.434 112.203 108.800 -0.052 0.000 2.288 1298 G HA2 0.166 4.126 3.960 0.001 0.000 0.227 1298 G HA3 0.166 4.126 3.960 0.001 0.000 0.227 1298 G C -0.267 174.544 174.900 -0.147 0.000 1.339 1298 G CA -0.132 44.927 45.100 -0.069 0.000 1.057 1298 G HN 1.146 nan 8.290 nan 0.000 0.470 1299 T N -1.642 112.854 114.554 -0.095 0.000 2.897 1299 T HA 0.629 4.980 4.350 0.001 0.000 0.278 1299 T C 1.138 175.790 174.700 -0.080 0.000 0.981 1299 T CA 0.172 62.211 62.100 -0.102 0.000 0.973 1299 T CB 1.381 70.249 68.868 0.001 0.000 1.092 1299 T HN 0.418 nan 8.240 nan 0.000 0.543 1300 F N 0.170 120.101 119.950 -0.033 0.000 2.095 1300 F HA -0.016 4.512 4.527 0.001 0.000 0.298 1300 F C 3.079 178.833 175.800 -0.077 0.000 1.104 1300 F CA 1.640 59.612 58.000 -0.048 0.000 1.232 1300 F CB -0.144 38.842 39.000 -0.023 0.000 0.987 1300 F HN 0.569 nan 8.300 nan 0.000 0.475 1301 R N 0.959 121.542 120.500 0.138 0.000 2.094 1301 R HA -0.281 4.059 4.340 0.001 0.000 0.239 1301 R C 2.293 178.630 176.300 0.061 0.000 1.137 1301 R CA 2.316 58.443 56.100 0.046 0.000 0.943 1301 R CB -0.372 29.953 30.300 0.041 0.000 0.850 1301 R HN 0.226 nan 8.270 nan 0.000 0.433 1302 K N 0.224 120.669 120.400 0.075 0.000 2.057 1302 K HA -0.127 4.193 4.320 0.001 0.000 0.207 1302 K C 1.814 178.521 176.600 0.178 0.000 1.049 1302 K CA 1.906 58.261 56.287 0.115 0.000 0.931 1302 K CB -0.184 32.381 32.500 0.107 0.000 0.714 1302 K HN 0.209 nan 8.250 nan 0.000 0.440 1303 N N 0.417 119.168 118.700 0.085 0.000 2.223 1303 N HA -0.121 4.620 4.740 0.001 0.000 0.185 1303 N C 1.702 177.211 175.510 -0.002 0.000 1.016 1303 N CA 1.293 54.309 53.050 -0.057 0.000 0.863 1303 N CB 0.001 38.336 38.487 -0.253 0.000 0.983 1303 N HN 0.261 nan 8.380 nan 0.000 0.429 1304 L N -0.431 120.816 121.223 0.040 0.000 2.202 1304 L HA 0.029 4.370 4.340 0.001 0.000 0.205 1304 L C 0.389 177.284 176.870 0.042 0.000 1.083 1304 L CA 0.659 55.510 54.840 0.018 0.000 0.790 1304 L CB 0.125 42.164 42.059 -0.034 0.000 0.942 1304 L HN -0.101 nan 8.230 nan 0.000 0.452 1305 D N -0.390 120.059 120.400 0.083 0.000 2.441 1305 D HA 0.150 4.790 4.640 0.001 0.000 0.287 1305 D C -1.747 174.646 176.300 0.155 0.000 1.198 1305 D CA -2.068 52.009 54.000 0.128 0.000 0.894 1305 D CB 0.961 41.840 40.800 0.132 0.000 1.070 1305 D HN -0.101 nan 8.370 nan 0.000 0.499 1306 P HA -0.082 nan 4.420 nan 0.000 0.220 1306 P C 0.763 178.104 177.300 0.070 0.000 1.148 1306 P CA 0.686 63.867 63.100 0.136 0.000 0.803 1306 P CB 0.509 32.273 31.700 0.106 0.000 0.782 1307 N N -0.342 118.410 118.700 0.086 0.000 2.412 1307 N HA 0.104 4.844 4.740 0.001 0.000 0.184 1307 N C 0.956 176.495 175.510 0.049 0.000 1.101 1307 N CA 0.832 53.915 53.050 0.054 0.000 0.881 1307 N CB -0.200 38.320 38.487 0.055 0.000 0.969 1307 N HN 0.018 nan 8.380 nan 0.000 0.459 1308 A N 0.141 123.008 122.820 0.077 0.000 2.826 1308 A HA -0.250 4.070 4.320 0.001 0.000 0.274 1308 A C 1.277 178.881 177.584 0.034 0.000 1.443 1308 A CA 1.057 53.133 52.037 0.065 0.000 0.833 1308 A CB -1.983 17.042 19.000 0.041 0.000 1.023 1308 A HN 0.377 nan 8.150 nan 0.000 0.600 1309 A N -1.210 121.617 122.820 0.011 0.000 2.337 1309 A HA 0.499 4.820 4.320 0.001 0.000 0.227 1309 A C 0.389 177.736 177.584 -0.394 0.000 1.259 1309 A CA 0.757 52.690 52.037 -0.172 0.000 0.870 1309 A CB -0.200 18.663 19.000 -0.227 0.000 0.927 1309 A HN 0.906 nan 8.150 nan 0.000 0.497 1310 H N -1.282 117.800 119.070 0.020 0.000 2.717 1310 H HA 0.458 5.015 4.556 0.001 0.000 0.366 1310 H C 0.158 175.498 175.328 0.020 0.000 1.132 1310 H CA -0.155 55.903 56.048 0.017 0.000 1.180 1310 H CB 1.582 31.350 29.762 0.010 0.000 1.678 1310 H HN 0.152 nan 8.280 nan 0.000 0.537 1311 S N 0.734 116.518 115.700 0.140 0.000 2.576 1311 S HA -0.067 4.404 4.470 0.001 0.000 0.272 1311 S C 0.871 175.539 174.600 0.112 0.000 1.352 1311 S CA -0.242 58.022 58.200 0.106 0.000 1.021 1311 S CB 0.494 63.749 63.200 0.091 0.000 0.887 1311 S HN 0.695 nan 8.310 nan 0.000 0.542 1312 D N 2.216 122.684 120.400 0.114 0.000 2.144 1312 D HA 0.008 4.648 4.640 0.001 0.000 0.199 1312 D C 2.549 178.993 176.300 0.240 0.000 0.984 1312 D CA 1.869 55.952 54.000 0.138 0.000 0.834 1312 D CB -0.485 40.431 40.800 0.194 0.000 0.955 1312 D HN 0.748 nan 8.370 nan 0.000 0.465 1313 Q N 0.803 120.732 119.800 0.215 0.000 2.124 1313 Q HA -0.176 4.165 4.340 0.001 0.000 0.202 1313 Q C 2.017 178.120 176.000 0.171 0.000 0.977 1313 Q CA 1.694 57.625 55.803 0.214 0.000 0.850 1313 Q CB -0.866 27.948 28.738 0.126 0.000 0.901 1313 Q HN 0.462 nan 8.270 nan 0.000 0.429 1314 E N -0.062 120.211 120.200 0.122 0.000 2.077 1314 E HA -0.098 4.253 4.350 0.001 0.000 0.193 1314 E C 2.090 178.709 176.600 0.032 0.000 0.989 1314 E CA 1.204 57.656 56.400 0.088 0.000 0.800 1314 E CB -0.221 29.558 29.700 0.132 0.000 0.746 1314 E HN 0.713 nan 8.360 nan 0.000 0.452 1315 I N -0.302 120.264 120.570 -0.007 0.000 2.226 1315 I HA -0.250 3.920 4.170 0.001 0.000 0.245 1315 I C 2.016 178.047 176.117 -0.143 0.000 1.100 1315 I CA 1.212 62.430 61.300 -0.138 0.000 1.374 1315 I CB -0.283 37.585 38.000 -0.219 0.000 1.057 1315 I HN 0.228 nan 8.210 nan 0.000 0.413 1316 W N 1.273 122.562 121.300 -0.019 0.000 2.374 1316 W HA -0.178 4.483 4.660 0.001 0.000 0.288 1316 W C 2.695 179.192 176.519 -0.036 0.000 1.218 1316 W CA 0.911 58.237 57.345 -0.032 0.000 1.245 1316 W CB -0.088 29.357 29.460 -0.025 0.000 1.126 1316 W HN 0.021 nan 8.180 nan 0.000 0.545 1317 K N 0.260 120.773 120.400 0.187 0.000 2.026 1317 K HA -0.181 4.140 4.320 0.001 0.000 0.208 1317 K C 1.698 178.323 176.600 0.042 0.000 1.048 1317 K CA 1.723 58.067 56.287 0.095 0.000 0.929 1317 K CB -0.428 32.107 32.500 0.058 0.000 0.713 1317 K HN -0.004 nan 8.250 nan 0.000 0.439 1318 V N 1.299 121.214 119.914 0.001 0.000 2.358 1318 V HA -0.199 3.921 4.120 0.001 0.000 0.246 1318 V C 2.432 178.515 176.094 -0.019 0.000 1.047 1318 V CA 1.821 64.099 62.300 -0.036 0.000 1.035 1318 V CB -0.579 31.193 31.823 -0.084 0.000 0.658 1318 V HN 0.475 nan 8.190 nan 0.000 0.452 1319 A N 0.050 122.858 122.820 -0.021 0.000 1.908 1319 A HA -0.315 4.006 4.320 0.001 0.000 0.218 1319 A C 2.089 179.702 177.584 0.049 0.000 1.181 1319 A CA 2.277 54.304 52.037 -0.016 0.000 0.627 1319 A CB -0.685 18.262 19.000 -0.088 0.000 0.818 1319 A HN 0.553 nan 8.150 nan 0.000 0.445 1320 D N -0.138 120.319 120.400 0.095 0.000 2.144 1320 D HA -0.164 4.477 4.640 0.001 0.000 0.200 1320 D C 2.046 178.369 176.300 0.038 0.000 0.978 1320 D CA 1.479 55.526 54.000 0.080 0.000 0.833 1320 D CB -0.225 40.626 40.800 0.085 0.000 0.961 1320 D HN 0.773 nan 8.370 nan 0.000 0.470 1321 E N -0.118 120.096 120.200 0.023 0.000 2.358 1321 E HA -0.080 4.271 4.350 0.001 0.000 0.195 1321 E C 1.659 178.266 176.600 0.011 0.000 1.010 1321 E CA 0.860 57.264 56.400 0.006 0.000 0.856 1321 E CB 0.012 29.703 29.700 -0.015 0.000 0.795 1321 E HN 0.276 nan 8.360 nan 0.000 0.504 1322 V N -2.727 117.199 119.914 0.019 0.000 3.483 1322 V HA 0.491 4.612 4.120 0.001 0.000 0.301 1322 V C 1.148 177.266 176.094 0.040 0.000 1.389 1322 V CA 0.149 62.468 62.300 0.031 0.000 1.101 1322 V CB -0.100 31.746 31.823 0.038 0.000 0.971 1322 V HN 0.281 nan 8.190 nan 0.000 0.434 1323 G N 1.019 109.841 108.800 0.036 0.000 2.160 1323 G HA2 -0.249 3.712 3.960 0.001 0.000 0.244 1323 G HA3 -0.249 3.712 3.960 0.001 0.000 0.244 1323 G C 0.332 175.259 174.900 0.044 0.000 1.022 1323 G CA 0.662 45.788 45.100 0.043 0.000 0.741 1323 G HN 0.568 nan 8.290 nan 0.000 0.508 1324 L N -0.939 120.301 121.223 0.027 0.000 2.554 1324 L HA 0.244 4.584 4.340 0.001 0.000 0.225 1324 L C 2.695 179.555 176.870 -0.016 0.000 1.104 1324 L CA 0.645 55.477 54.840 -0.014 0.000 0.866 1324 L CB -0.132 41.900 42.059 -0.046 0.000 1.047 1324 L HN 0.374 nan 8.230 nan 0.000 0.468 1325 R N 0.329 120.871 120.500 0.071 0.000 2.112 1325 R HA -0.207 4.134 4.340 0.001 0.000 0.242 1325 R C 2.179 178.533 176.300 0.089 0.000 1.137 1325 R CA 2.328 58.538 56.100 0.184 0.000 0.944 1325 R CB -0.187 30.195 30.300 0.137 0.000 0.857 1325 R HN 0.166 nan 8.270 nan 0.000 0.435 1326 S N -0.291 115.414 115.700 0.007 0.000 2.406 1326 S HA -0.048 4.422 4.470 0.001 0.000 0.228 1326 S C 1.886 176.423 174.600 -0.104 0.000 1.020 1326 S CA 1.082 59.256 58.200 -0.043 0.000 0.965 1326 S CB 0.092 63.271 63.200 -0.035 0.000 0.798 1326 S HN 0.209 nan 8.310 nan 0.000 0.488 1327 V N 1.996 121.836 119.914 -0.124 0.000 2.358 1327 V HA -0.129 3.991 4.120 0.001 0.000 0.246 1327 V C 2.005 177.988 176.094 -0.186 0.000 1.047 1327 V CA 1.458 63.628 62.300 -0.217 0.000 1.035 1327 V CB -0.688 30.939 31.823 -0.328 0.000 0.658 1327 V HN 0.451 nan 8.190 nan 0.000 0.452 1328 I N -0.221 120.193 120.570 -0.259 0.000 2.286 1328 I HA -0.165 4.006 4.170 0.001 0.000 0.245 1328 I C 2.551 178.612 176.117 -0.092 0.000 1.104 1328 I CA 1.333 62.374 61.300 -0.431 0.000 1.397 1328 I CB -0.386 37.229 38.000 -0.643 0.000 1.072 1328 I HN 0.306 nan 8.210 nan 0.000 0.417 1329 E N 0.891 121.078 120.200 -0.021 0.000 2.160 1329 E HA -0.289 4.061 4.350 0.001 0.000 0.195 1329 E C 2.168 178.688 176.600 -0.132 0.000 0.991 1329 E CA 1.312 57.703 56.400 -0.014 0.000 0.810 1329 E CB -0.121 29.554 29.700 -0.042 0.000 0.742 1329 E HN 0.611 nan 8.360 nan 0.000 0.466 1330 Q N 0.097 119.712 119.800 -0.309 0.000 2.291 1330 Q HA -0.127 4.214 4.340 0.001 0.000 0.206 1330 Q C 0.077 175.745 176.000 -0.553 0.000 0.976 1330 Q CA 0.791 56.306 55.803 -0.480 0.000 0.875 1330 Q CB -0.244 28.087 28.738 -0.679 0.000 0.927 1330 Q HN 0.146 nan 8.270 nan 0.000 0.450 1331 F N 1.671 121.482 119.950 -0.231 0.000 2.404 1331 F HA 0.277 4.805 4.527 0.001 0.000 0.345 1331 F C -1.400 174.309 175.800 -0.152 0.000 1.110 1331 F CA -2.881 54.874 58.000 -0.409 0.000 1.130 1331 F CB 1.018 39.410 39.000 -1.013 0.000 1.129 1331 F HN -0.164 nan 8.300 nan 0.000 0.500 1332 P HA -0.273 nan 4.420 nan 0.000 0.218 1332 P C 1.561 178.988 177.300 0.211 0.000 1.132 1332 P CA 2.191 65.395 63.100 0.173 0.000 0.968 1332 P CB -0.111 31.733 31.700 0.239 0.000 0.783 1333 G N -2.075 106.919 108.800 0.323 0.000 2.848 1333 G HA2 -0.072 3.888 3.960 0.001 0.000 0.208 1333 G HA3 -0.072 3.888 3.960 0.001 0.000 0.208 1333 G C 0.597 175.675 174.900 0.295 0.000 1.152 1333 G CA 0.213 45.486 45.100 0.288 0.000 0.789 1333 G HN 0.183 nan 8.290 nan 0.000 0.531 1334 K N -0.777 119.804 120.400 0.302 0.000 1.673 1334 K HA -0.312 4.008 4.320 0.001 0.000 0.127 1334 K C 1.682 178.459 176.600 0.296 0.000 1.035 1334 K CA 1.703 58.169 56.287 0.299 0.000 0.314 1334 K CB -1.708 31.020 32.500 0.381 0.000 0.670 1334 K HN 0.226 nan 8.250 nan 0.000 0.842 1335 L N 1.723 123.079 121.223 0.221 0.000 2.265 1335 L HA -0.154 4.186 4.340 0.001 0.000 0.215 1335 L C 1.954 178.958 176.870 0.223 0.000 1.117 1335 L CA 1.336 56.250 54.840 0.122 0.000 0.782 1335 L CB -0.420 41.627 42.059 -0.020 0.000 0.914 1335 L HN 0.363 nan 8.230 nan 0.000 0.441 1336 D N -0.427 120.116 120.400 0.238 0.000 2.347 1336 D HA -0.056 4.585 4.640 0.001 0.000 0.213 1336 D C 0.589 177.014 176.300 0.209 0.000 0.985 1336 D CA 0.200 54.312 54.000 0.188 0.000 0.879 1336 D CB 0.071 40.966 40.800 0.158 0.000 0.919 1336 D HN 0.095 nan 8.370 nan 0.000 0.526 1337 F N 2.129 122.186 119.950 0.178 0.000 2.578 1337 F HA 0.050 4.577 4.527 0.001 0.000 0.381 1337 F C 0.100 175.900 175.800 0.000 0.000 1.069 1337 F CA -0.498 57.585 58.000 0.137 0.000 1.231 1337 F CB 0.569 39.724 39.000 0.259 0.000 1.086 1337 F HN -0.378 nan 8.300 nan 0.000 0.564 1338 V N 8.211 127.612 119.914 -0.854 0.000 2.488 1338 V HA 0.077 4.197 4.120 0.001 0.000 0.277 1338 V C 0.318 175.738 176.094 -1.123 0.000 1.046 1338 V CA -0.605 61.248 62.300 -0.744 0.000 0.986 1338 V CB 0.896 32.447 31.823 -0.453 0.000 0.989 1338 V HN 0.579 nan 8.190 nan 0.000 0.475 1339 L N 6.693 127.486 121.223 -0.717 0.000 2.312 1339 L HA 0.340 4.680 4.340 0.001 0.000 0.287 1339 L C 0.165 176.820 176.870 -0.359 0.000 1.091 1339 L CA -0.294 54.200 54.840 -0.576 0.000 0.846 1339 L CB 0.919 42.649 42.059 -0.548 0.000 1.219 1339 L HN 0.665 nan 8.230 nan 0.000 0.439 1340 V N -0.091 119.641 119.914 -0.303 0.000 2.904 1340 V HA 0.353 4.474 4.120 0.001 0.000 0.305 1340 V C 0.127 176.154 176.094 -0.112 0.000 1.067 1340 V CA -0.842 61.351 62.300 -0.178 0.000 1.044 1340 V CB 1.236 32.974 31.823 -0.141 0.000 1.050 1340 V HN 0.842 nan 8.190 nan 0.000 0.475 1341 D N 2.322 122.677 120.400 -0.075 0.000 2.803 1341 D HA -0.168 4.473 4.640 0.001 0.000 0.233 1341 D C 1.143 177.415 176.300 -0.048 0.000 1.182 1341 D CA 1.493 55.466 54.000 -0.045 0.000 0.726 1341 D CB -1.474 39.309 40.800 -0.028 0.000 0.987 1341 D HN 2.003 nan 8.370 nan 0.000 0.412 1342 G N -0.387 108.380 108.800 -0.054 0.000 2.187 1342 G HA2 -0.011 3.950 3.960 0.001 0.000 0.261 1342 G HA3 -0.011 3.950 3.960 0.001 0.000 0.261 1342 G C 0.994 175.844 174.900 -0.082 0.000 1.000 1342 G CA 0.936 46.001 45.100 -0.057 0.000 0.718 1342 G HN 1.757 nan 8.290 nan 0.000 0.519 1343 G N -1.910 106.824 108.800 -0.111 0.000 2.289 1343 G HA2 -0.024 3.936 3.960 0.001 0.000 0.280 1343 G HA3 -0.024 3.936 3.960 0.001 0.000 0.280 1343 G C 1.631 176.500 174.900 -0.052 0.000 1.089 1343 G CA 1.152 46.175 45.100 -0.128 0.000 0.939 1343 G HN 2.241 nan 8.290 nan 0.000 0.499 1344 C N -1.279 118.003 119.300 -0.030 0.000 2.491 1344 C HA 0.298 4.759 4.460 0.001 0.000 0.277 1344 C C 2.595 177.621 174.990 0.062 0.000 1.455 1344 C CA 0.970 59.998 59.018 0.017 0.000 1.758 1344 C CB -1.408 26.340 27.740 0.014 0.000 1.745 1344 C HN 1.339 nan 8.230 nan 0.000 0.558 1345 V N -1.555 118.396 119.914 0.062 0.000 3.406 1345 V HA 0.299 4.420 4.120 0.001 0.000 0.263 1345 V C 0.777 177.019 176.094 0.246 0.000 1.172 1345 V CA 0.436 62.827 62.300 0.152 0.000 1.140 1345 V CB -0.826 31.053 31.823 0.092 0.000 0.784 1345 V HN 0.566 nan 8.190 nan 0.000 0.467 1346 L N 2.244 123.581 121.223 0.189 0.000 2.325 1346 L HA 0.540 4.881 4.340 0.001 0.000 0.279 1346 L C 0.849 177.870 176.870 0.253 0.000 1.054 1346 L CA -0.122 54.904 54.840 0.311 0.000 0.804 1346 L CB 1.732 43.923 42.059 0.221 0.000 1.200 1346 L HN 0.372 nan 8.230 nan 0.000 0.436 1347 S N 0.709 116.575 115.700 0.277 0.000 2.617 1347 S HA -0.005 4.466 4.470 0.001 0.000 0.259 1347 S C 1.237 175.870 174.600 0.056 0.000 1.301 1347 S CA -0.212 58.013 58.200 0.042 0.000 0.984 1347 S CB 0.509 63.571 63.200 -0.230 0.000 0.954 1347 S HN 0.781 nan 8.310 nan 0.000 0.572 1348 H N 1.034 120.087 119.070 -0.027 0.000 2.319 1348 H HA -0.107 4.450 4.556 0.001 0.000 0.299 1348 H C 2.096 177.425 175.328 0.002 0.000 1.092 1348 H CA 2.143 58.188 56.048 -0.005 0.000 1.302 1348 H CB -0.934 28.825 29.762 -0.005 0.000 1.373 1348 H HN 0.826 nan 8.280 nan 0.000 0.497 1349 G N 0.143 108.929 108.800 -0.023 0.000 2.421 1349 G HA2 -0.270 3.690 3.960 0.001 0.000 0.216 1349 G HA3 -0.270 3.690 3.960 0.001 0.000 0.216 1349 G C 1.427 176.327 174.900 0.001 0.000 1.171 1349 G CA 0.840 45.913 45.100 -0.045 0.000 0.775 1349 G HN 0.478 nan 8.290 nan 0.000 0.543 1350 H N 0.900 119.995 119.070 0.040 0.000 2.353 1350 H HA -0.036 4.521 4.556 0.001 0.000 0.298 1350 H C 2.554 177.898 175.328 0.026 0.000 1.103 1350 H CA 1.458 57.543 56.048 0.062 0.000 1.293 1350 H CB -0.161 29.670 29.762 0.115 0.000 1.372 1350 H HN 0.385 nan 8.280 nan 0.000 0.501 1351 K N 0.299 120.754 120.400 0.091 0.000 2.097 1351 K HA -0.100 4.221 4.320 0.001 0.000 0.205 1351 K C 2.213 178.781 176.600 -0.054 0.000 1.050 1351 K CA 0.839 57.120 56.287 -0.011 0.000 0.938 1351 K CB 0.182 32.637 32.500 -0.075 0.000 0.718 1351 K HN 0.258 nan 8.250 nan 0.000 0.442 1352 Q N 0.795 120.534 119.800 -0.102 0.000 2.083 1352 Q HA -0.059 4.281 4.340 0.001 0.000 0.198 1352 Q C 2.240 178.241 176.000 0.003 0.000 0.969 1352 Q CA 1.088 56.846 55.803 -0.076 0.000 0.838 1352 Q CB -0.256 28.418 28.738 -0.107 0.000 0.900 1352 Q HN 0.353 nan 8.270 nan 0.000 0.436 1353 L N -0.039 121.207 121.223 0.038 0.000 2.191 1353 L HA -0.123 4.218 4.340 0.001 0.000 0.212 1353 L C 2.475 179.377 176.870 0.055 0.000 1.103 1353 L CA 0.852 55.730 54.840 0.064 0.000 0.769 1353 L CB -0.367 41.751 42.059 0.099 0.000 0.908 1353 L HN 0.225 nan 8.230 nan 0.000 0.438 1354 M N -1.630 117.999 119.600 0.049 0.000 2.288 1354 M HA -0.169 4.311 4.480 0.001 0.000 0.266 1354 M C 2.413 178.723 176.300 0.016 0.000 1.072 1354 M CA 1.135 56.454 55.300 0.032 0.000 1.132 1354 M CB -0.448 32.169 32.600 0.028 0.000 1.386 1354 M HN 0.387 nan 8.290 nan 0.000 0.432 1355 C N 0.284 119.594 119.300 0.016 0.000 2.440 1355 C HA -0.120 4.340 4.460 0.001 0.000 0.278 1355 C C 2.677 177.699 174.990 0.055 0.000 1.295 1355 C CA 0.497 59.536 59.018 0.035 0.000 1.738 1355 C CB -1.052 26.706 27.740 0.031 0.000 1.987 1355 C HN 0.528 nan 8.230 nan 0.000 0.492 1356 L N 2.103 123.359 121.223 0.056 0.000 2.005 1356 L HA 0.000 4.341 4.340 0.001 0.000 0.207 1356 L C 2.626 179.565 176.870 0.114 0.000 1.072 1356 L CA 2.459 57.352 54.840 0.089 0.000 0.744 1356 L CB -0.993 41.119 42.059 0.089 0.000 0.895 1356 L HN 0.234 nan 8.230 nan 0.000 0.433 1357 A N -0.336 122.525 122.820 0.067 0.000 1.917 1357 A HA -0.303 4.018 4.320 0.001 0.000 0.219 1357 A C 2.526 180.119 177.584 0.015 0.000 1.182 1357 A CA 2.096 54.150 52.037 0.029 0.000 0.633 1357 A CB -0.778 18.220 19.000 -0.004 0.000 0.819 1357 A HN 0.538 nan 8.150 nan 0.000 0.448 1358 R N -0.385 120.134 120.500 0.032 0.000 2.103 1358 R HA -0.137 4.203 4.340 0.001 0.000 0.242 1358 R C 2.424 178.763 176.300 0.065 0.000 1.142 1358 R CA 1.900 58.025 56.100 0.042 0.000 0.960 1358 R CB -0.249 30.096 30.300 0.076 0.000 0.858 1358 R HN 0.562 nan 8.270 nan 0.000 0.439 1359 S N -0.410 115.355 115.700 0.109 0.000 2.371 1359 S HA -0.069 4.402 4.470 0.001 0.000 0.224 1359 S C 1.934 176.674 174.600 0.233 0.000 1.029 1359 S CA 1.121 59.421 58.200 0.166 0.000 0.978 1359 S CB 0.024 63.325 63.200 0.168 0.000 0.833 1359 S HN 0.123 nan 8.310 nan 0.000 0.466 1360 V N 1.758 121.797 119.914 0.208 0.000 2.343 1360 V HA -0.123 3.997 4.120 0.001 0.000 0.247 1360 V C 2.247 178.294 176.094 -0.079 0.000 1.051 1360 V CA 1.299 63.582 62.300 -0.029 0.000 1.036 1360 V CB -0.658 31.095 31.823 -0.118 0.000 0.654 1360 V HN 0.307 nan 8.190 nan 0.000 0.451 1361 L N 0.138 121.310 121.223 -0.085 0.000 2.056 1361 L HA -0.069 4.272 4.340 0.001 0.000 0.207 1361 L C 2.451 179.300 176.870 -0.034 0.000 1.078 1361 L CA 1.867 56.587 54.840 -0.199 0.000 0.749 1361 L CB -0.709 41.117 42.059 -0.390 0.000 0.901 1361 L HN 0.266 nan 8.230 nan 0.000 0.433 1362 S N -1.015 114.705 115.700 0.034 0.000 2.555 1362 S HA -0.089 4.382 4.470 0.001 0.000 0.230 1362 S C 0.837 175.472 174.600 0.058 0.000 0.978 1362 S CA 0.287 58.542 58.200 0.092 0.000 0.934 1362 S CB -0.267 62.984 63.200 0.085 0.000 0.766 1362 S HN 0.364 nan 8.310 nan 0.000 0.533 1363 K N 0.662 121.083 120.400 0.036 0.000 3.244 1363 K HA -0.183 4.137 4.320 0.001 0.000 0.270 1363 K C 0.015 176.612 176.600 -0.004 0.000 1.016 1363 K CA 0.112 56.398 56.287 -0.002 0.000 0.754 1363 K CB -1.631 30.861 32.500 -0.014 0.000 1.326 1363 K HN 0.459 nan 8.250 nan 0.000 0.465 1364 A N 0.953 123.822 122.820 0.082 0.000 2.406 1364 A HA 0.214 4.534 4.320 0.001 0.000 0.243 1364 A C 0.946 178.537 177.584 0.013 0.000 1.082 1364 A CA 0.133 52.161 52.037 -0.016 0.000 0.786 1364 A CB 0.403 19.403 19.000 0.000 0.000 1.029 1364 A HN 0.381 nan 8.150 nan 0.000 0.495 1365 K N 0.082 120.348 120.400 -0.222 0.000 2.450 1365 K HA 0.338 4.658 4.320 0.001 0.000 0.206 1365 K C -0.471 175.978 176.600 -0.252 0.000 1.148 1365 K CA 0.547 56.717 56.287 -0.196 0.000 1.014 1365 K CB 0.484 32.813 32.500 -0.285 0.000 0.966 1365 K HN 0.687 nan 8.250 nan 0.000 0.566 1366 I N 2.092 122.435 120.570 -0.379 0.000 2.436 1366 I HA 0.286 4.457 4.170 0.001 0.000 0.289 1366 I C -0.983 175.022 176.117 -0.186 0.000 1.010 1366 I CA -1.051 60.066 61.300 -0.306 0.000 1.098 1366 I CB 1.619 39.361 38.000 -0.430 0.000 1.266 1366 I HN -0.280 nan 8.210 nan 0.000 0.434 1367 L N 7.052 128.170 121.223 -0.174 0.000 2.322 1367 L HA 0.508 4.848 4.340 0.001 0.000 0.281 1367 L C -0.540 176.288 176.870 -0.070 0.000 1.014 1367 L CA -0.243 54.489 54.840 -0.181 0.000 0.815 1367 L CB 1.435 43.296 42.059 -0.330 0.000 1.247 1367 L HN 0.408 nan 8.230 nan 0.000 0.421 1368 L N 4.771 125.979 121.223 -0.026 0.000 2.335 1368 L HA 0.366 4.707 4.340 0.001 0.000 0.268 1368 L C -0.789 176.097 176.870 0.026 0.000 1.037 1368 L CA -0.451 54.402 54.840 0.021 0.000 0.895 1368 L CB 0.622 42.706 42.059 0.043 0.000 1.266 1368 L HN 0.366 nan 8.230 nan 0.000 0.439 1369 L N 2.697 123.940 121.223 0.033 0.000 2.356 1369 L HA 0.165 4.506 4.340 0.001 0.000 0.282 1369 L C 0.224 177.146 176.870 0.087 0.000 1.132 1369 L CA 0.259 55.134 54.840 0.059 0.000 0.923 1369 L CB 0.417 42.515 42.059 0.065 0.000 1.278 1369 L HN 0.501 nan 8.230 nan 0.000 0.436 1370 D N 4.578 125.029 120.400 0.085 0.000 2.508 1370 D HA 0.071 4.711 4.640 0.001 0.000 0.224 1370 D C 0.317 176.706 176.300 0.148 0.000 1.171 1370 D CA 0.067 54.125 54.000 0.096 0.000 1.006 1370 D CB 0.046 40.880 40.800 0.058 0.000 1.073 1370 D HN 0.479 nan 8.370 nan 0.000 0.513 1371 E N 1.777 122.071 120.200 0.157 0.000 2.291 1371 E HA -0.180 4.170 4.350 0.001 0.000 0.181 1371 E C -1.718 174.994 176.600 0.186 0.000 1.480 1371 E CA -0.034 56.467 56.400 0.169 0.000 0.674 1371 E CB -0.221 29.596 29.700 0.195 0.000 1.108 1371 E HN 0.488 nan 8.360 nan 0.000 0.357 1372 P HA -0.217 nan 4.420 nan 0.000 0.216 1372 P C 1.492 178.805 177.300 0.021 0.000 1.153 1372 P CA 1.805 65.014 63.100 0.183 0.000 0.848 1372 P CB -0.012 31.860 31.700 0.287 0.000 0.787 1373 S N -0.132 115.418 115.700 -0.250 0.000 2.423 1373 S HA -0.026 4.445 4.470 0.001 0.000 0.231 1373 S C 2.188 176.563 174.600 -0.374 0.000 1.014 1373 S CA 1.038 58.798 58.200 -0.734 0.000 0.965 1373 S CB -1.233 61.534 63.200 -0.721 0.000 0.785 1373 S HN 0.148 nan 8.310 nan 0.000 0.495 1374 A N 1.723 124.404 122.820 -0.231 0.000 1.874 1374 A HA 0.074 4.395 4.320 0.001 0.000 0.214 1374 A C 1.726 179.098 177.584 -0.352 0.000 1.189 1374 A CA 1.194 53.042 52.037 -0.315 0.000 0.615 1374 A CB -0.772 17.989 19.000 -0.398 0.000 0.830 1374 A HN 0.700 nan 8.150 nan 0.000 0.443 1375 H N -1.433 117.622 119.070 -0.024 0.000 2.520 1375 H HA 0.538 5.095 4.556 0.001 0.000 0.284 1375 H C -0.486 174.891 175.328 0.082 0.000 1.037 1375 H CA -0.141 55.916 56.048 0.015 0.000 1.168 1375 H CB 0.110 29.903 29.762 0.052 0.000 1.497 1375 H HN 0.242 nan 8.280 nan 0.000 0.547 1376 L N 0.513 121.811 121.223 0.127 0.000 2.341 1376 L HA 0.311 4.651 4.340 0.001 0.000 0.267 1376 L C -0.519 176.413 176.870 0.103 0.000 1.009 1376 L CA -1.424 53.524 54.840 0.181 0.000 0.819 1376 L CB 2.004 44.198 42.059 0.225 0.000 1.323 1376 L HN 0.111 nan 8.230 nan 0.000 0.425 1377 D N 1.841 122.323 120.400 0.136 0.000 2.472 1377 D HA 0.037 4.678 4.640 0.001 0.000 0.237 1377 D C -1.755 174.614 176.300 0.115 0.000 1.141 1377 D CA -0.952 53.102 54.000 0.089 0.000 0.875 1377 D CB 0.283 41.131 40.800 0.080 0.000 1.192 1377 D HN 0.229 nan 8.370 nan 0.000 0.450 1378 P HA -0.168 nan 4.420 nan 0.000 0.216 1378 P C 1.495 178.886 177.300 0.151 0.000 1.150 1378 P CA 0.964 64.141 63.100 0.129 0.000 0.837 1378 P CB 0.048 31.790 31.700 0.071 0.000 0.786 1379 V N -3.654 116.318 119.914 0.096 0.000 2.427 1379 V HA -0.183 3.937 4.120 0.001 0.000 0.248 1379 V C 1.992 178.135 176.094 0.081 0.000 1.051 1379 V CA 2.442 64.787 62.300 0.074 0.000 1.048 1379 V CB -2.253 29.600 31.823 0.049 0.000 0.666 1379 V HN 0.057 nan 8.190 nan 0.000 0.456 1380 T N -0.060 114.554 114.554 0.100 0.000 2.770 1380 T HA -0.128 4.223 4.350 0.001 0.000 0.263 1380 T C 1.733 176.507 174.700 0.124 0.000 1.039 1380 T CA 2.057 64.218 62.100 0.102 0.000 1.142 1380 T CB -0.503 68.429 68.868 0.106 0.000 0.868 1380 T HN 0.656 nan 8.240 nan 0.000 0.435 1381 Y N 2.008 122.335 120.300 0.046 0.000 2.151 1381 Y HA -0.250 4.300 4.550 0.001 0.000 0.284 1381 Y C 2.548 178.472 175.900 0.039 0.000 1.166 1381 Y CA 1.656 59.782 58.100 0.045 0.000 1.163 1381 Y CB -0.491 37.994 38.460 0.041 0.000 0.974 1381 Y HN 0.103 nan 8.280 nan 0.000 0.511 1382 Q N 0.335 120.053 119.800 -0.136 0.000 2.079 1382 Q HA -0.107 4.233 4.340 0.001 0.000 0.200 1382 Q C 2.203 178.110 176.000 -0.155 0.000 0.974 1382 Q CA 2.175 57.846 55.803 -0.219 0.000 0.840 1382 Q CB -0.390 28.315 28.738 -0.054 0.000 0.898 1382 Q HN 0.690 nan 8.270 nan 0.000 0.430 1383 I N -0.055 120.477 120.570 -0.063 0.000 2.264 1383 I HA -0.273 3.898 4.170 0.001 0.000 0.248 1383 I C 1.590 177.687 176.117 -0.034 0.000 1.111 1383 I CA 0.613 61.897 61.300 -0.026 0.000 1.382 1383 I CB -0.371 37.640 38.000 0.017 0.000 1.060 1383 I HN 0.246 nan 8.210 nan 0.000 0.418 1384 I N 1.250 121.789 120.570 -0.053 0.000 2.226 1384 I HA -0.296 3.874 4.170 0.001 0.000 0.245 1384 I C 3.196 179.264 176.117 -0.082 0.000 1.100 1384 I CA 2.020 63.297 61.300 -0.039 0.000 1.374 1384 I CB -1.738 36.255 38.000 -0.012 0.000 1.057 1384 I HN 0.268 nan 8.210 nan 0.000 0.413 1385 R N 0.776 121.151 120.500 -0.208 0.000 2.115 1385 R HA -0.087 4.253 4.340 0.001 0.000 0.226 1385 R C 2.332 178.579 176.300 -0.090 0.000 1.100 1385 R CA 1.422 57.409 56.100 -0.188 0.000 0.980 1385 R CB -1.241 28.860 30.300 -0.332 0.000 0.875 1385 R HN 0.396 nan 8.270 nan 0.000 0.445 1386 R N -0.679 119.775 120.500 -0.076 0.000 2.062 1386 R HA -0.077 4.263 4.340 0.001 0.000 0.229 1386 R C 2.502 178.801 176.300 -0.003 0.000 1.128 1386 R CA 1.932 58.011 56.100 -0.035 0.000 0.960 1386 R CB -0.540 29.741 30.300 -0.031 0.000 0.855 1386 R HN 0.447 nan 8.270 nan 0.000 0.432 1387 T N 0.102 114.668 114.554 0.021 0.000 3.035 1387 T HA -0.047 4.303 4.350 0.001 0.000 0.268 1387 T C 1.591 176.369 174.700 0.129 0.000 1.109 1387 T CA 0.531 62.667 62.100 0.061 0.000 1.119 1387 T CB -0.046 68.878 68.868 0.093 0.000 0.900 1387 T HN 0.120 nan 8.240 nan 0.000 0.503 1388 L N 1.473 122.761 121.223 0.107 0.000 2.056 1388 L HA 0.192 4.533 4.340 0.001 0.000 0.207 1388 L C 2.743 179.669 176.870 0.093 0.000 1.078 1388 L CA 2.322 57.238 54.840 0.128 0.000 0.749 1388 L CB -0.716 41.365 42.059 0.036 0.000 0.901 1388 L HN 0.276 nan 8.230 nan 0.000 0.433 1389 K N -1.474 118.950 120.400 0.040 0.000 2.400 1389 K HA 0.039 4.359 4.320 0.001 0.000 0.194 1389 K C 1.835 178.441 176.600 0.011 0.000 1.033 1389 K CA 0.867 57.166 56.287 0.021 0.000 1.021 1389 K CB -0.194 32.307 32.500 0.003 0.000 0.808 1389 K HN 0.481 nan 8.250 nan 0.000 0.505 1390 Q N -0.920 118.885 119.800 0.009 0.000 2.377 1390 Q HA 0.271 4.611 4.340 0.001 0.000 0.193 1390 Q C 2.369 178.334 176.000 -0.057 0.000 0.986 1390 Q CA 1.230 57.021 55.803 -0.020 0.000 0.851 1390 Q CB 0.136 28.861 28.738 -0.022 0.000 0.986 1390 Q HN 0.403 nan 8.270 nan 0.000 0.559 1391 A N -0.070 122.692 122.820 -0.097 0.000 1.897 1391 A HA 0.003 4.324 4.320 0.001 0.000 0.215 1391 A C 1.175 178.524 177.584 -0.391 0.000 1.181 1391 A CA 0.781 52.650 52.037 -0.281 0.000 0.620 1391 A CB -0.470 18.284 19.000 -0.409 0.000 0.821 1391 A HN 0.340 nan 8.150 nan 0.000 0.443 1392 F N -0.172 119.755 119.950 -0.039 0.000 2.916 1392 F HA 0.430 4.957 4.527 0.001 0.000 0.294 1392 F C 1.846 177.619 175.800 -0.045 0.000 1.189 1392 F CA 0.060 58.032 58.000 -0.047 0.000 1.369 1392 F CB 0.075 39.046 39.000 -0.049 0.000 0.961 1392 F HN 0.246 nan 8.300 nan 0.000 0.508 1393 A N -0.453 122.401 122.820 0.057 0.000 1.933 1393 A HA -0.141 4.179 4.320 0.001 0.000 0.218 1393 A C 1.492 179.091 177.584 0.025 0.000 1.175 1393 A CA 1.502 53.558 52.037 0.032 0.000 0.628 1393 A CB -0.228 18.771 19.000 -0.001 0.000 0.814 1393 A HN 0.261 nan 8.150 nan 0.000 0.444 1394 D N -0.859 119.551 120.400 0.017 0.000 2.738 1394 D HA 0.264 4.905 4.640 0.001 0.000 0.246 1394 D C -0.672 175.633 176.300 0.009 0.000 1.270 1394 D CA 0.019 54.022 54.000 0.005 0.000 0.833 1394 D CB -0.076 40.718 40.800 -0.011 0.000 1.040 1394 D HN 0.227 nan 8.370 nan 0.000 0.487 1395 C N 0.170 119.491 119.300 0.035 0.000 2.529 1395 C HA 0.398 4.858 4.460 0.001 0.000 0.329 1395 C C 0.723 175.700 174.990 -0.022 0.000 1.194 1395 C CA -0.509 58.523 59.018 0.023 0.000 1.779 1395 C CB 1.714 29.528 27.740 0.124 0.000 2.322 1395 C HN 0.175 nan 8.230 nan 0.000 0.500 1396 T N 2.433 116.948 114.554 -0.065 0.000 2.834 1396 T HA 0.350 4.701 4.350 0.001 0.000 0.298 1396 T C -0.199 174.447 174.700 -0.090 0.000 0.966 1396 T CA 0.056 62.109 62.100 -0.077 0.000 1.141 1396 T CB 0.190 68.997 68.868 -0.101 0.000 0.905 1396 T HN 0.457 nan 8.240 nan 0.000 0.535 1397 V N 5.443 125.314 119.914 -0.071 0.000 2.444 1397 V HA 0.415 4.535 4.120 0.001 0.000 0.294 1397 V C 0.025 176.087 176.094 -0.053 0.000 1.022 1397 V CA -0.786 61.470 62.300 -0.072 0.000 0.850 1397 V CB 1.620 33.408 31.823 -0.058 0.000 0.992 1397 V HN 0.806 nan 8.190 nan 0.000 0.426 1398 I N 5.817 126.366 120.570 -0.035 0.000 2.377 1398 I HA 0.259 4.430 4.170 0.001 0.000 0.282 1398 I C -0.401 175.732 176.117 0.027 0.000 1.091 1398 I CA -0.388 60.913 61.300 0.001 0.000 1.207 1398 I CB 0.949 38.973 38.000 0.039 0.000 1.429 1398 I HN 0.311 nan 8.210 nan 0.000 0.491 1399 L N 6.023 127.258 121.223 0.019 0.000 2.315 1399 L HA 0.235 4.576 4.340 0.001 0.000 0.283 1399 L C -0.337 176.584 176.870 0.084 0.000 1.089 1399 L CA 0.258 55.130 54.840 0.054 0.000 0.833 1399 L CB 1.016 43.106 42.059 0.051 0.000 1.170 1399 L HN 0.673 nan 8.230 nan 0.000 0.442 1400 C N 6.657 126.019 119.300 0.103 0.000 2.301 1400 C HA 0.703 5.164 4.460 0.001 0.000 0.323 1400 C C -0.088 174.984 174.990 0.137 0.000 1.265 1400 C CA -0.358 58.731 59.018 0.119 0.000 1.503 1400 C CB 0.405 28.209 27.740 0.107 0.000 2.195 1400 C HN 0.989 nan 8.230 nan 0.000 0.477 1401 E N 2.489 122.790 120.200 0.167 0.000 2.456 1401 E HA 0.585 4.935 4.350 0.001 0.000 0.276 1401 E C 0.023 176.765 176.600 0.238 0.000 0.981 1401 E CA -0.303 56.199 56.400 0.169 0.000 0.814 1401 E CB 2.055 31.843 29.700 0.146 0.000 1.382 1401 E HN 0.625 nan 8.360 nan 0.000 0.459 1402 A N 0.666 123.593 122.820 0.178 0.000 2.095 1402 A HA 0.087 4.408 4.320 0.001 0.000 0.212 1402 A C 0.505 178.130 177.584 0.068 0.000 1.162 1402 A CA 0.444 52.594 52.037 0.187 0.000 0.753 1402 A CB -0.081 18.967 19.000 0.081 0.000 0.840 1402 A HN 0.414 nan 8.150 nan 0.000 0.468 1403 R N -1.307 119.208 120.500 0.025 0.000 2.562 1403 R HA 0.644 4.984 4.340 0.001 0.000 0.298 1403 R C 0.204 176.517 176.300 0.021 0.000 0.961 1403 R CA -0.696 55.331 56.100 -0.122 0.000 0.881 1403 R CB 0.967 31.199 30.300 -0.114 0.000 1.159 1403 R HN -0.050 nan 8.270 nan 0.000 0.450 1404 I N 1.944 122.490 120.570 -0.040 0.000 2.756 1404 I HA -0.165 4.005 4.170 0.001 0.000 0.262 1404 I C 1.306 177.476 176.117 0.088 0.000 1.225 1404 I CA 1.296 62.682 61.300 0.145 0.000 1.472 1404 I CB -0.063 38.012 38.000 0.125 0.000 1.094 1404 I HN 0.702 nan 8.210 nan 0.000 0.454 1405 E N 1.258 121.467 120.200 0.016 0.000 2.085 1405 E HA -0.156 4.194 4.350 0.001 0.000 0.194 1405 E C 1.632 178.268 176.600 0.059 0.000 0.994 1405 E CA 1.388 57.799 56.400 0.019 0.000 0.801 1405 E CB -0.658 29.034 29.700 -0.014 0.000 0.743 1405 E HN 0.567 nan 8.360 nan 0.000 0.453 1406 A N 0.101 122.967 122.820 0.077 0.000 2.833 1406 A HA 0.386 4.706 4.320 0.001 0.000 0.293 1406 A C 1.086 178.756 177.584 0.143 0.000 1.338 1406 A CA -0.191 51.913 52.037 0.112 0.000 0.959 1406 A CB -0.180 18.885 19.000 0.109 0.000 1.094 1406 A HN 0.088 nan 8.150 nan 0.000 0.569 1407 M N -1.025 118.671 119.600 0.161 0.000 2.313 1407 M HA 0.228 4.709 4.480 0.001 0.000 0.400 1407 M C 0.611 177.040 176.300 0.215 0.000 0.989 1407 M CA 0.221 55.642 55.300 0.201 0.000 0.977 1407 M CB 0.354 33.140 32.600 0.309 0.000 1.808 1407 M HN 0.429 nan 8.290 nan 0.000 0.613 1408 L N 0.582 121.901 121.223 0.162 0.000 2.349 1408 L HA -0.129 4.212 4.340 0.001 0.000 0.220 1408 L C 0.829 177.771 176.870 0.119 0.000 1.130 1408 L CA 1.226 56.153 54.840 0.144 0.000 0.791 1408 L CB -0.115 41.995 42.059 0.085 0.000 0.918 1408 L HN 0.237 nan 8.230 nan 0.000 0.444 1409 E N -0.340 119.908 120.200 0.080 0.000 2.597 1409 E HA 0.214 4.564 4.350 0.001 0.000 0.235 1409 E C -1.066 175.523 176.600 -0.018 0.000 1.155 1409 E CA -0.200 56.222 56.400 0.036 0.000 1.199 1409 E CB 0.560 30.276 29.700 0.026 0.000 1.409 1409 E HN 0.237 nan 8.360 nan 0.000 0.453 1410 C N 0.389 119.650 119.300 -0.065 0.000 2.441 1410 C HA 0.187 4.648 4.460 0.001 0.000 0.318 1410 C C 1.112 175.967 174.990 -0.224 0.000 1.222 1410 C CA -0.795 58.067 59.018 -0.260 0.000 1.474 1410 C CB 1.179 28.512 27.740 -0.680 0.000 2.125 1410 C HN 0.603 nan 8.230 nan 0.000 0.479 1411 D N 0.322 120.621 120.400 -0.167 0.000 2.224 1411 D HA -0.027 4.613 4.640 0.001 0.000 0.205 1411 D C 0.588 176.841 176.300 -0.078 0.000 0.965 1411 D CA 1.037 54.993 54.000 -0.074 0.000 0.852 1411 D CB 0.330 41.106 40.800 -0.039 0.000 0.947 1411 D HN 0.652 nan 8.370 nan 0.000 0.494 1412 Q N -1.008 118.650 119.800 -0.236 0.000 2.462 1412 Q HA 0.495 4.836 4.340 0.001 0.000 0.285 1412 Q C -1.796 173.951 176.000 -0.421 0.000 1.035 1412 Q CA -0.738 54.981 55.803 -0.140 0.000 0.799 1412 Q CB 1.498 30.210 28.738 -0.043 0.000 1.452 1412 Q HN -0.036 nan 8.270 nan 0.000 0.404 1413 F N 0.950 120.958 119.950 0.096 0.000 2.603 1413 F HA 0.656 5.184 4.527 0.001 0.000 0.317 1413 F C -0.845 175.007 175.800 0.086 0.000 1.066 1413 F CA -0.800 57.239 58.000 0.066 0.000 0.941 1413 F CB 1.842 40.855 39.000 0.023 0.000 1.291 1413 F HN 0.380 nan 8.300 nan 0.000 0.472 1414 L N 2.571 123.927 121.223 0.221 0.000 2.504 1414 L HA 0.604 4.945 4.340 0.001 0.000 0.265 1414 L C -1.672 175.246 176.870 0.080 0.000 0.975 1414 L CA -0.468 54.419 54.840 0.078 0.000 0.864 1414 L CB 1.365 43.342 42.059 -0.136 0.000 1.212 1414 L HN 0.362 nan 8.230 nan 0.000 0.416 1415 V N 5.446 125.450 119.914 0.151 0.000 2.398 1415 V HA 0.399 4.520 4.120 0.001 0.000 0.286 1415 V C 0.323 176.472 176.094 0.093 0.000 1.026 1415 V CA -0.436 61.942 62.300 0.130 0.000 0.868 1415 V CB 1.798 33.752 31.823 0.218 0.000 0.982 1415 V HN 0.511 nan 8.190 nan 0.000 0.443 1416 I N 5.103 125.700 120.570 0.045 0.000 2.322 1416 I HA 0.226 4.397 4.170 0.001 0.000 0.292 1416 I C 1.007 177.136 176.117 0.021 0.000 1.060 1416 I CA -0.042 61.270 61.300 0.020 0.000 1.309 1416 I CB 0.355 38.348 38.000 -0.011 0.000 1.415 1416 I HN 0.671 nan 8.210 nan 0.000 0.492 1417 E N 4.685 124.911 120.200 0.043 0.000 4.517 1417 E HA 0.058 4.409 4.350 0.001 0.000 0.408 1417 E C 1.481 178.088 176.600 0.011 0.000 1.456 1417 E CA 0.462 56.886 56.400 0.041 0.000 2.449 1417 E CB 0.196 29.934 29.700 0.063 0.000 1.556 1417 E HN 0.641 nan 8.360 nan 0.000 0.781 1418 E N 0.569 120.779 120.200 0.016 0.000 2.051 1418 E HA -0.110 4.240 4.350 0.001 0.000 0.189 1418 E C 1.446 178.054 176.600 0.014 0.000 0.979 1418 E CA 1.729 58.133 56.400 0.006 0.000 0.803 1418 E CB -0.441 29.264 29.700 0.009 0.000 0.761 1418 E HN 0.408 nan 8.360 nan 0.000 0.451 1419 N N -1.302 117.412 118.700 0.025 0.000 2.419 1419 N HA 0.248 4.988 4.740 0.001 0.000 0.216 1419 N C 0.799 176.333 175.510 0.040 0.000 1.118 1419 N CA 0.879 53.946 53.050 0.029 0.000 0.850 1419 N CB 1.017 39.520 38.487 0.028 0.000 1.292 1419 N HN 0.477 nan 8.380 nan 0.000 0.467 1420 K N 0.543 120.971 120.400 0.047 0.000 2.245 1420 K HA 0.799 5.119 4.320 0.001 0.000 0.234 1420 K C -0.476 176.164 176.600 0.067 0.000 1.021 1420 K CA -0.633 55.690 56.287 0.061 0.000 0.898 1420 K CB 0.480 33.014 32.500 0.057 0.000 1.163 1420 K HN 0.079 nan 8.250 nan 0.000 0.459 1421 V N -0.484 119.481 119.914 0.084 0.000 2.380 1421 V HA 0.568 4.689 4.120 0.001 0.000 0.286 1421 V C -0.318 175.817 176.094 0.067 0.000 1.015 1421 V CA -1.062 61.282 62.300 0.072 0.000 0.834 1421 V CB 0.744 32.601 31.823 0.055 0.000 1.009 1421 V HN 0.781 nan 8.190 nan 0.000 0.428 1422 R N 3.902 124.443 120.500 0.067 0.000 2.441 1422 R HA 0.501 4.842 4.340 0.001 0.000 0.284 1422 R C -0.230 176.090 176.300 0.034 0.000 1.070 1422 R CA -0.287 55.818 56.100 0.008 0.000 1.047 1422 R CB 1.264 31.532 30.300 -0.053 0.000 1.016 1422 R HN 0.959 nan 8.270 nan 0.000 0.477 1423 Q N 2.376 122.154 119.800 -0.037 0.000 2.325 1423 Q HA 0.303 4.644 4.340 0.001 0.000 0.270 1423 Q C -1.414 174.603 176.000 0.028 0.000 1.020 1423 Q CA -0.761 55.088 55.803 0.077 0.000 0.785 1423 Q CB 1.407 30.191 28.738 0.077 0.000 1.259 1423 Q HN 0.507 nan 8.270 nan 0.000 0.452 1424 Y N 1.504 121.898 120.300 0.157 0.000 2.326 1424 Y HA 0.156 4.706 4.550 0.001 0.000 0.337 1424 Y C 0.472 176.502 175.900 0.216 0.000 1.023 1424 Y CA -0.794 57.420 58.100 0.191 0.000 1.143 1424 Y CB 1.282 39.865 38.460 0.204 0.000 1.183 1424 Y HN 0.694 nan 8.280 nan 0.000 0.485 1425 D N 1.028 121.601 120.400 0.288 0.000 2.378 1425 D HA -0.021 4.619 4.640 0.001 0.000 0.227 1425 D C 0.033 176.472 176.300 0.232 0.000 1.012 1425 D CA 0.762 54.888 54.000 0.210 0.000 0.905 1425 D CB 0.148 41.036 40.800 0.146 0.000 0.895 1425 D HN 0.496 nan 8.370 nan 0.000 0.532 1426 S N -1.778 114.125 115.700 0.338 0.000 2.627 1426 S HA 0.207 4.677 4.470 0.001 0.000 0.268 1426 S C 0.569 175.419 174.600 0.416 0.000 1.130 1426 S CA -0.796 57.600 58.200 0.328 0.000 0.819 1426 S CB 0.529 63.871 63.200 0.236 0.000 1.100 1426 S HN -0.213 nan 8.310 nan 0.000 0.465 1427 I N 0.916 121.716 120.570 0.383 0.000 2.208 1427 I HA -0.125 4.046 4.170 0.001 0.000 0.245 1427 I C 2.284 178.492 176.117 0.152 0.000 1.097 1427 I CA 1.428 62.874 61.300 0.244 0.000 1.363 1427 I CB -1.194 36.924 38.000 0.197 0.000 1.051 1427 I HN 0.646 nan 8.210 nan 0.000 0.413 1428 L N 0.181 121.518 121.223 0.191 0.000 2.042 1428 L HA -0.248 4.093 4.340 0.001 0.000 0.210 1428 L C 2.550 179.635 176.870 0.359 0.000 1.076 1428 L CA 1.455 56.444 54.840 0.249 0.000 0.749 1428 L CB -0.526 41.700 42.059 0.278 0.000 0.893 1428 L HN 0.202 nan 8.230 nan 0.000 0.432 1429 E N 0.479 120.906 120.200 0.379 0.000 2.051 1429 E HA -0.262 4.089 4.350 0.001 0.000 0.192 1429 E C 2.041 178.920 176.600 0.466 0.000 0.991 1429 E CA 1.301 58.002 56.400 0.500 0.000 0.799 1429 E CB -0.239 29.745 29.700 0.474 0.000 0.748 1429 E HN 0.218 nan 8.360 nan 0.000 0.449 1430 L N -0.279 121.084 121.223 0.233 0.000 2.141 1430 L HA -0.089 4.251 4.340 0.001 0.000 0.209 1430 L C 2.099 178.929 176.870 -0.068 0.000 1.094 1430 L CA 1.675 56.427 54.840 -0.146 0.000 0.763 1430 L CB -0.612 41.130 42.059 -0.528 0.000 0.908 1430 L HN 0.330 nan 8.230 nan 0.000 0.437 1431 Y N -1.537 118.686 120.300 -0.129 0.000 2.206 1431 Y HA -0.169 4.382 4.550 0.001 0.000 0.292 1431 Y C 2.584 178.374 175.900 -0.184 0.000 1.123 1431 Y CA 1.743 59.714 58.100 -0.216 0.000 1.142 1431 Y CB -0.063 38.206 38.460 -0.319 0.000 1.006 1431 Y HN 0.261 nan 8.280 nan 0.000 0.518 1432 H N -1.921 117.197 119.070 0.080 0.000 2.465 1432 H HA 0.066 4.622 4.556 0.001 0.000 0.289 1432 H C -0.192 174.923 175.328 -0.354 0.000 1.022 1432 H CA 1.065 56.975 56.048 -0.231 0.000 1.340 1432 H CB 0.021 29.478 29.762 -0.507 0.000 1.437 1432 H HN 0.315 nan 8.280 nan 0.000 0.539 1433 Y N 1.149 121.673 120.300 0.374 0.000 2.480 1433 Y HA 0.276 4.827 4.550 0.001 0.000 0.356 1433 Y C -2.311 173.812 175.900 0.373 0.000 0.922 1433 Y CA -2.964 55.334 58.100 0.330 0.000 1.146 1433 Y CB 0.545 39.161 38.460 0.260 0.000 1.185 1433 Y HN 0.016 nan 8.280 nan 0.000 0.624 1434 P HA 0.104 nan 4.420 nan 0.000 0.271 1434 P C 0.540 178.099 177.300 0.432 0.000 1.226 1434 P CA 0.284 63.604 63.100 0.367 0.000 0.765 1434 P CB 1.815 33.620 31.700 0.176 0.000 0.835 1435 A N 3.258 126.355 122.820 0.462 0.000 2.235 1435 A HA 0.059 4.380 4.320 0.001 0.000 0.208 1435 A C 0.487 178.269 177.584 0.330 0.000 1.172 1435 A CA 0.752 52.986 52.037 0.329 0.000 0.786 1435 A CB -0.735 18.403 19.000 0.231 0.000 0.804 1435 A HN 0.692 nan 8.150 nan 0.000 0.479 1436 D N -4.241 116.389 120.400 0.384 0.000 2.615 1436 D HA 0.323 4.963 4.640 0.001 0.000 0.267 1436 D C 0.351 176.809 176.300 0.263 0.000 1.236 1436 D CA -0.821 53.391 54.000 0.352 0.000 0.839 1436 D CB 0.491 41.437 40.800 0.244 0.000 1.380 1436 D HN -0.156 nan 8.370 nan 0.000 0.433 1437 R N -0.678 119.800 120.500 -0.036 0.000 2.189 1437 R HA 0.030 4.371 4.340 0.001 0.000 0.218 1437 R C 1.441 177.609 176.300 -0.221 0.000 1.074 1437 R CA 0.659 56.417 56.100 -0.570 0.000 0.991 1437 R CB -0.279 29.551 30.300 -0.784 0.000 0.883 1437 R HN 0.501 nan 8.270 nan 0.000 0.457 1438 F N 0.376 120.239 119.950 -0.144 0.000 2.113 1438 F HA -0.148 4.380 4.527 0.001 0.000 0.297 1438 F C 1.705 177.506 175.800 0.002 0.000 1.103 1438 F CA 1.296 59.261 58.000 -0.058 0.000 1.248 1438 F CB -0.430 38.553 39.000 -0.028 0.000 0.999 1438 F HN -0.244 nan 8.300 nan 0.000 0.475 1439 V N 0.879 120.657 119.914 -0.225 0.000 2.490 1439 V HA -0.260 3.860 4.120 0.001 0.000 0.250 1439 V C 2.769 178.716 176.094 -0.245 0.000 1.061 1439 V CA 1.601 63.684 62.300 -0.361 0.000 1.064 1439 V CB -1.672 30.032 31.823 -0.200 0.000 0.670 1439 V HN 0.515 nan 8.190 nan 0.000 0.461 1440 A N 0.574 123.319 122.820 -0.125 0.000 1.930 1440 A HA -0.033 4.288 4.320 0.001 0.000 0.217 1440 A C 2.343 179.854 177.584 -0.122 0.000 1.175 1440 A CA 1.747 53.718 52.037 -0.111 0.000 0.627 1440 A CB -0.882 18.127 19.000 0.015 0.000 0.815 1440 A HN 0.533 nan 8.150 nan 0.000 0.443 1441 G N -2.355 106.397 108.800 -0.081 0.000 2.623 1441 G HA2 -0.007 3.953 3.960 0.001 0.000 0.214 1441 G HA3 -0.007 3.953 3.960 0.001 0.000 0.214 1441 G C 1.295 176.103 174.900 -0.153 0.000 1.138 1441 G CA 0.644 45.705 45.100 -0.065 0.000 0.794 1441 G HN 0.418 nan 8.290 nan 0.000 0.535 1442 F N 0.939 120.651 119.950 -0.396 0.000 2.163 1442 F HA 0.214 4.742 4.527 0.001 0.000 0.297 1442 F C 0.886 176.520 175.800 -0.277 0.000 1.094 1442 F CA 0.539 58.292 58.000 -0.412 0.000 1.290 1442 F CB 0.280 38.904 39.000 -0.627 0.000 1.017 1442 F HN -0.124 nan 8.300 nan 0.000 0.483 1443 I N 0.468 121.004 120.570 -0.056 0.000 2.460 1443 I HA 0.494 4.664 4.170 0.001 0.000 0.298 1443 I C 0.472 176.554 176.117 -0.058 0.000 0.989 1443 I CA -0.440 60.831 61.300 -0.047 0.000 1.173 1443 I CB 0.261 38.245 38.000 -0.027 0.000 1.338 1443 I HN 0.212 nan 8.210 nan 0.000 0.456 1444 G N 3.564 112.354 108.800 -0.017 0.000 3.019 1444 G HA2 -0.017 3.943 3.960 0.001 0.000 0.686 1444 G HA3 -0.017 3.943 3.960 0.001 0.000 0.686 1444 G C -0.643 174.204 174.900 -0.088 0.000 1.056 1444 G CA -0.376 44.719 45.100 -0.009 0.000 0.774 1444 G HN 0.851 nan 8.290 nan 0.000 0.583 1445 S N 3.564 119.212 115.700 -0.086 0.000 2.571 1445 S HA 0.852 5.323 4.470 0.001 0.000 0.284 1445 S C -1.857 172.679 174.600 -0.107 0.000 1.128 1445 S CA -0.650 57.489 58.200 -0.102 0.000 0.970 1445 S CB 1.820 64.964 63.200 -0.095 0.000 1.039 1445 S HN 0.807 nan 8.310 nan 0.000 0.485 1446 P HA 0.218 nan 4.420 nan 0.000 0.272 1446 P C -0.562 176.655 177.300 -0.138 0.000 1.240 1446 P CA -0.509 62.523 63.100 -0.115 0.000 0.791 1446 P CB 0.431 32.059 31.700 -0.121 0.000 0.978 1447 K N 0.534 120.862 120.400 -0.120 0.000 2.494 1447 K HA 0.021 4.341 4.320 0.001 0.000 0.273 1447 K C 0.795 177.266 176.600 -0.215 0.000 0.970 1447 K CA -0.070 56.136 56.287 -0.135 0.000 0.963 1447 K CB 0.052 32.514 32.500 -0.064 0.000 0.913 1447 K HN 0.475 nan 8.250 nan 0.000 0.502 1448 M N 3.785 123.196 119.600 -0.315 0.000 2.252 1448 M HA -0.047 4.433 4.480 0.001 0.000 0.348 1448 M C -0.448 175.433 176.300 -0.698 0.000 1.334 1448 M CA 0.143 55.131 55.300 -0.520 0.000 1.071 1448 M CB 0.334 32.532 32.600 -0.670 0.000 1.763 1448 M HN 0.488 nan 8.290 nan 0.000 0.452 1449 N N 4.931 123.341 118.700 -0.484 0.000 2.483 1449 N HA 0.169 4.910 4.740 0.001 0.000 0.264 1449 N C -1.572 173.642 175.510 -0.494 0.000 1.197 1449 N CA 0.607 53.447 53.050 -0.350 0.000 0.927 1449 N CB 0.308 38.699 38.487 -0.160 0.000 1.065 1449 N HN 0.404 nan 8.380 nan 0.000 0.461 1450 F N 1.776 121.733 119.950 0.011 0.000 2.467 1450 F HA 0.431 4.959 4.527 0.001 0.000 0.336 1450 F C -0.054 175.770 175.800 0.041 0.000 1.123 1450 F CA -0.839 57.183 58.000 0.036 0.000 0.964 1450 F CB 1.177 40.175 39.000 -0.003 0.000 1.136 1450 F HN 0.114 nan 8.300 nan 0.000 0.447 1451 L N 5.426 126.789 121.223 0.234 0.000 2.341 1451 L HA 0.574 4.914 4.340 0.001 0.000 0.278 1451 L C -2.479 174.473 176.870 0.137 0.000 1.005 1451 L CA -1.954 52.973 54.840 0.144 0.000 0.818 1451 L CB 1.779 43.896 42.059 0.096 0.000 1.259 1451 L HN 0.300 nan 8.230 nan 0.000 0.418 1452 P HA 0.249 nan 4.420 nan 0.000 0.276 1452 P C -1.097 176.237 177.300 0.056 0.000 1.253 1452 P CA -0.267 62.878 63.100 0.074 0.000 0.766 1452 P CB 0.846 32.577 31.700 0.051 0.000 0.845 1453 V N -0.672 119.275 119.914 0.055 0.000 3.040 1453 V HA 0.969 5.089 4.120 0.001 0.000 0.312 1453 V C -0.438 175.667 176.094 0.018 0.000 1.115 1453 V CA -1.332 60.986 62.300 0.031 0.000 0.998 1453 V CB 1.396 33.237 31.823 0.030 0.000 1.042 1453 V HN 0.386 nan 8.190 nan 0.000 0.433 1454 K N 1.319 121.717 120.400 -0.003 0.000 2.244 1454 K HA 0.798 5.119 4.320 0.001 0.000 0.260 1454 K C -0.628 175.951 176.600 -0.035 0.000 0.951 1454 K CA -0.439 55.841 56.287 -0.012 0.000 0.826 1454 K CB 1.620 34.112 32.500 -0.013 0.000 1.108 1454 K HN 1.264 nan 8.250 nan 0.000 0.433 1455 V N 3.391 123.286 119.914 -0.031 0.000 2.421 1455 V HA 0.074 4.194 4.120 0.001 0.000 0.271 1455 V C 1.704 177.755 176.094 -0.071 0.000 1.031 1455 V CA 0.635 62.903 62.300 -0.054 0.000 1.032 1455 V CB 0.012 31.819 31.823 -0.027 0.000 1.009 1455 V HN 1.057 nan 8.190 nan 0.000 0.477 1456 T N 1.275 115.755 114.554 -0.123 0.000 3.051 1456 T HA 0.526 4.876 4.350 0.001 0.000 0.255 1456 T C 0.541 175.166 174.700 -0.125 0.000 1.085 1456 T CA 0.557 62.584 62.100 -0.123 0.000 1.109 1456 T CB 0.393 69.169 68.868 -0.154 0.000 0.921 1456 T HN 1.078 nan 8.240 nan 0.000 0.488 1457 A N 0.913 123.630 122.820 -0.172 0.000 2.608 1457 A HA 0.668 4.989 4.320 0.001 0.000 0.292 1457 A C -0.185 177.387 177.584 -0.020 0.000 1.066 1457 A CA -0.574 51.408 52.037 -0.091 0.000 0.676 1457 A CB 1.005 19.946 19.000 -0.097 0.000 1.277 1457 A HN 0.486 nan 8.150 nan 0.000 0.413 1458 T N -1.294 113.341 114.554 0.135 0.000 2.841 1458 T HA 1.003 5.354 4.350 0.001 0.000 0.276 1458 T C 0.253 175.149 174.700 0.325 0.000 1.003 1458 T CA 0.073 62.301 62.100 0.213 0.000 0.995 1458 T CB 1.641 70.580 68.868 0.118 0.000 1.260 1458 T HN 2.426 nan 8.240 nan 0.000 0.581 1459 A N -0.384 122.574 122.820 0.230 0.000 3.742 1459 A HA 0.767 5.087 4.320 0.001 0.000 0.282 1459 A C 0.733 178.351 177.584 0.056 0.000 1.117 1459 A CA -0.285 51.820 52.037 0.113 0.000 0.624 1459 A CB -0.093 18.907 19.000 0.000 0.000 1.548 1459 A HN 0.869 nan 8.150 nan 0.000 0.723 1460 I N -0.877 119.698 120.570 0.008 0.000 2.296 1460 I HA 0.169 4.340 4.170 0.001 0.000 0.242 1460 I C 0.201 176.323 176.117 0.009 0.000 1.087 1460 I CA 1.926 63.228 61.300 0.004 0.000 1.393 1460 I CB 0.145 38.136 38.000 -0.015 0.000 1.093 1460 I HN 0.506 nan 8.210 nan 0.000 0.421 1461 D N 0.605 121.003 120.400 -0.002 0.000 2.819 1461 D HA 0.318 4.958 4.640 0.001 0.000 0.326 1461 D C -0.686 175.631 176.300 0.027 0.000 1.408 1461 D CA 0.002 54.007 54.000 0.008 0.000 0.811 1461 D CB 0.414 41.209 40.800 -0.008 0.000 1.148 1461 D HN 0.277 nan 8.370 nan 0.000 0.457 1462 Q N -0.323 119.519 119.800 0.069 0.000 2.534 1462 Q HA 0.633 4.973 4.340 0.001 0.000 0.290 1462 Q C -1.571 174.597 176.000 0.279 0.000 0.991 1462 Q CA -0.995 54.904 55.803 0.161 0.000 0.783 1462 Q CB 3.250 32.048 28.738 0.101 0.000 1.470 1462 Q HN -0.087 nan 8.270 nan 0.000 0.406 1463 V N 1.407 121.521 119.914 0.333 0.000 2.668 1463 V HA 0.301 4.421 4.120 0.001 0.000 0.304 1463 V C -0.988 175.162 176.094 0.093 0.000 1.071 1463 V CA -0.686 61.748 62.300 0.224 0.000 0.894 1463 V CB 2.003 33.882 31.823 0.094 0.000 1.008 1463 V HN 0.675 nan 8.190 nan 0.000 0.425 1464 Q N 3.036 122.664 119.800 -0.287 0.000 2.241 1464 Q HA 0.782 5.123 4.340 0.001 0.000 0.254 1464 Q C -0.902 174.885 176.000 -0.356 0.000 0.917 1464 Q CA -0.455 54.929 55.803 -0.698 0.000 0.919 1464 Q CB 2.040 29.809 28.738 -1.615 0.000 1.237 1464 Q HN 0.802 nan 8.270 nan 0.000 0.434 1465 V N -1.647 118.104 119.914 -0.271 0.000 3.102 1465 V HA 0.974 5.095 4.120 0.001 0.000 0.312 1465 V C -0.950 175.058 176.094 -0.143 0.000 1.135 1465 V CA -0.556 61.651 62.300 -0.154 0.000 1.022 1465 V CB 1.264 33.044 31.823 -0.071 0.000 1.056 1465 V HN 0.863 nan 8.190 nan 0.000 0.436 1466 E N 1.939 122.084 120.200 -0.091 0.000 2.238 1466 E HA 0.757 5.107 4.350 0.001 0.000 0.267 1466 E C -0.618 175.962 176.600 -0.033 0.000 0.887 1466 E CA -1.039 55.320 56.400 -0.068 0.000 0.769 1466 E CB 1.674 31.335 29.700 -0.064 0.000 1.187 1466 E HN 0.955 nan 8.360 nan 0.000 0.416 1467 L N 2.249 123.458 121.223 -0.023 0.000 2.467 1467 L HA 0.243 4.584 4.340 0.001 0.000 0.270 1467 L C -1.062 175.808 176.870 0.000 0.000 1.205 1467 L CA -1.322 53.516 54.840 -0.004 0.000 0.828 1467 L CB 0.818 42.876 42.059 -0.000 0.000 1.101 1467 L HN 0.611 nan 8.230 nan 0.000 0.479 1468 P HA -0.066 nan 4.420 nan 0.000 0.233 1468 P C 0.446 177.751 177.300 0.009 0.000 1.167 1468 P CA 0.675 63.782 63.100 0.012 0.000 0.770 1468 P CB 0.101 31.814 31.700 0.022 0.000 0.837 1469 M N 0.043 119.648 119.600 0.008 0.000 2.198 1469 M HA 0.301 4.782 4.480 0.001 0.000 0.315 1469 M C -1.368 174.934 176.300 0.003 0.000 1.134 1469 M CA -1.271 54.034 55.300 0.007 0.000 1.171 1469 M CB -1.743 30.862 32.600 0.008 0.000 1.413 1469 M HN -0.220 nan 8.290 nan 0.000 0.467 1470 P HA -0.148 nan 4.420 nan 0.000 0.224 1470 P C 0.518 177.818 177.300 0.000 0.000 1.142 1470 P CA 1.899 65.000 63.100 0.002 0.000 0.778 1470 P CB -0.205 31.497 31.700 0.003 0.000 0.764 1471 N N -1.739 116.961 118.700 0.001 0.000 2.405 1471 N HA -0.020 4.721 4.740 0.001 0.000 0.175 1471 N C 0.821 176.328 175.510 -0.005 0.000 1.051 1471 N CA 0.503 53.552 53.050 -0.001 0.000 0.899 1471 N CB -1.138 37.349 38.487 0.000 0.000 1.000 1471 N HN -0.125 nan 8.380 nan 0.000 0.451 1472 R N 0.644 121.140 120.500 -0.006 0.000 2.747 1472 R HA -0.249 4.092 4.340 0.001 0.000 0.236 1472 R C 0.018 176.305 176.300 -0.021 0.000 0.819 1472 R CA 1.427 57.519 56.100 -0.013 0.000 0.575 1472 R CB -2.990 27.301 30.300 -0.014 0.000 1.219 1472 R HN 0.820 nan 8.270 nan 0.000 0.518 1473 Q N 0.731 120.519 119.800 -0.020 0.000 2.306 1473 Q HA 0.237 4.578 4.340 0.001 0.000 0.241 1473 Q C -0.310 175.661 176.000 -0.048 0.000 0.948 1473 Q CA -0.632 55.155 55.803 -0.026 0.000 0.886 1473 Q CB 0.734 29.463 28.738 -0.015 0.000 1.227 1473 Q HN 0.716 nan 8.270 nan 0.000 0.457 1474 Q N 1.709 121.473 119.800 -0.060 0.000 2.256 1474 Q HA 0.436 4.776 4.340 0.001 0.000 0.254 1474 Q C -1.261 174.671 176.000 -0.113 0.000 0.916 1474 Q CA -0.246 55.489 55.803 -0.114 0.000 0.932 1474 Q CB 1.917 30.583 28.738 -0.120 0.000 1.207 1474 Q HN 0.443 nan 8.270 nan 0.000 0.426 1475 V N 3.474 123.280 119.914 -0.179 0.000 2.777 1475 V HA 0.420 4.541 4.120 0.001 0.000 0.306 1475 V C -1.806 174.180 176.094 -0.180 0.000 1.112 1475 V CA -0.688 61.546 62.300 -0.109 0.000 0.917 1475 V CB 1.515 33.319 31.823 -0.031 0.000 1.018 1475 V HN 0.803 nan 8.190 nan 0.000 0.426 1476 W N 5.812 127.113 121.300 0.002 0.000 2.313 1476 W HA 0.735 5.395 4.660 0.001 0.000 0.328 1476 W C -0.397 176.119 176.519 -0.005 0.000 1.197 1476 W CA -0.479 56.866 57.345 0.001 0.000 1.235 1476 W CB 1.356 30.818 29.460 0.002 0.000 1.158 1476 W HN 0.400 nan 8.180 nan 0.000 0.578 1477 L N 4.363 125.766 121.223 0.300 0.000 2.406 1477 L HA 0.325 4.666 4.340 0.001 0.000 0.272 1477 L C -2.221 174.734 176.870 0.142 0.000 0.980 1477 L CA -2.255 52.676 54.840 0.151 0.000 0.831 1477 L CB 1.951 44.055 42.059 0.074 0.000 1.253 1477 L HN 0.111 nan 8.230 nan 0.000 0.406 1478 P HA 0.087 nan 4.420 nan 0.000 0.238 1478 P C -0.770 176.570 177.300 0.066 0.000 1.729 1478 P CA 0.271 63.419 63.100 0.080 0.000 1.055 1478 P CB 0.020 31.777 31.700 0.095 0.000 1.980 1479 V N 0.836 120.790 119.914 0.065 0.000 2.808 1479 V HA 0.191 4.312 4.120 0.001 0.000 0.308 1479 V C 0.387 176.510 176.094 0.049 0.000 1.099 1479 V CA -1.028 61.299 62.300 0.045 0.000 0.920 1479 V CB 2.492 34.326 31.823 0.018 0.000 1.014 1479 V HN 0.155 nan 8.190 nan 0.000 0.425 1480 E N 1.460 121.681 120.200 0.036 0.000 2.568 1480 E HA -0.032 4.319 4.350 0.001 0.000 0.262 1480 E C 0.886 177.511 176.600 0.041 0.000 0.961 1480 E CA 0.554 56.974 56.400 0.033 0.000 0.945 1480 E CB 0.747 30.461 29.700 0.023 0.000 0.924 1480 E HN 0.710 nan 8.360 nan 0.000 0.467 1481 S N 2.508 118.235 115.700 0.045 0.000 2.503 1481 S HA 0.062 4.532 4.470 0.001 0.000 0.217 1481 S C 0.898 175.524 174.600 0.044 0.000 0.999 1481 S CA 0.455 58.689 58.200 0.055 0.000 0.914 1481 S CB -0.001 63.239 63.200 0.066 0.000 0.782 1481 S HN 0.561 nan 8.310 nan 0.000 0.520 1482 R N 1.603 122.123 120.500 0.034 0.000 2.638 1482 R HA 0.092 4.433 4.340 0.001 0.000 0.268 1482 R C 0.388 176.707 176.300 0.032 0.000 1.006 1482 R CA 0.687 56.805 56.100 0.030 0.000 1.088 1482 R CB -0.987 29.328 30.300 0.024 0.000 0.950 1482 R HN 0.482 nan 8.270 nan 0.000 0.419 1483 D N -0.038 120.380 120.400 0.030 0.000 2.708 1483 D HA -0.129 4.512 4.640 0.001 0.000 0.236 1483 D C -1.174 175.146 176.300 0.034 0.000 1.146 1483 D CA 1.571 55.590 54.000 0.031 0.000 0.662 1483 D CB -0.964 39.855 40.800 0.032 0.000 1.059 1483 D HN 0.439 nan 8.370 nan 0.000 0.428 1484 V N 0.741 120.676 119.914 0.035 0.000 2.380 1484 V HA 0.611 4.732 4.120 0.001 0.000 0.286 1484 V C 0.811 176.924 176.094 0.032 0.000 1.015 1484 V CA -0.105 62.216 62.300 0.035 0.000 0.834 1484 V CB 1.274 33.121 31.823 0.039 0.000 1.009 1484 V HN 0.334 nan 8.190 nan 0.000 0.428 1485 Q N 3.486 123.302 119.800 0.027 0.000 2.267 1485 Q HA 0.626 4.966 4.340 0.001 0.000 0.255 1485 Q C -0.240 175.770 176.000 0.018 0.000 0.923 1485 Q CA -0.468 55.348 55.803 0.023 0.000 0.925 1485 Q CB 1.423 30.173 28.738 0.020 0.000 1.195 1485 Q HN 0.740 nan 8.270 nan 0.000 0.417 1486 V N 2.184 122.108 119.914 0.016 0.000 2.529 1486 V HA 0.473 4.593 4.120 0.001 0.000 0.292 1486 V C 1.761 177.856 176.094 0.002 0.000 1.028 1486 V CA 1.624 63.928 62.300 0.006 0.000 1.074 1486 V CB 0.218 32.047 31.823 0.009 0.000 0.958 1486 V HN 1.633 nan 8.190 nan 0.000 0.481 1487 G N 3.453 112.249 108.800 -0.006 0.000 2.259 1487 G HA2 -0.076 3.884 3.960 0.001 0.000 0.217 1487 G HA3 -0.076 3.884 3.960 0.001 0.000 0.217 1487 G C 0.474 175.374 174.900 0.000 0.000 1.001 1487 G CA 0.122 45.219 45.100 -0.005 0.000 0.627 1487 G HN 1.436 nan 8.290 nan 0.000 0.501 1488 A N 0.277 123.100 122.820 0.006 0.000 2.425 1488 A HA 0.553 4.874 4.320 0.001 0.000 0.242 1488 A C 0.406 177.999 177.584 0.014 0.000 1.077 1488 A CA 0.198 52.242 52.037 0.012 0.000 0.781 1488 A CB 0.163 19.174 19.000 0.018 0.000 1.020 1488 A HN 0.363 nan 8.150 nan 0.000 0.494 1489 N N 1.130 119.841 118.700 0.019 0.000 2.472 1489 N HA 0.477 5.217 4.740 0.001 0.000 0.277 1489 N C -0.464 175.070 175.510 0.040 0.000 1.081 1489 N CA 0.216 53.281 53.050 0.025 0.000 0.973 1489 N CB 0.981 39.481 38.487 0.022 0.000 1.105 1489 N HN 0.519 nan 8.380 nan 0.000 0.470 1490 M N -0.045 119.585 119.600 0.051 0.000 2.658 1490 M HA 0.290 4.770 4.480 0.001 0.000 0.295 1490 M C -0.316 176.051 176.300 0.112 0.000 1.248 1490 M CA -0.695 54.653 55.300 0.081 0.000 0.843 1490 M CB 1.758 34.398 32.600 0.068 0.000 1.749 1490 M HN 0.232 nan 8.290 nan 0.000 0.464 1491 S N 1.655 117.465 115.700 0.183 0.000 2.566 1491 S HA 0.602 5.073 4.470 0.001 0.000 0.324 1491 S C -1.144 173.684 174.600 0.381 0.000 1.081 1491 S CA -0.640 57.712 58.200 0.253 0.000 1.105 1491 S CB 0.470 63.798 63.200 0.215 0.000 0.981 1491 S HN 0.636 nan 8.310 nan 0.000 0.464 1492 L N 5.825 127.223 121.223 0.291 0.000 2.281 1492 L HA 0.726 5.066 4.340 0.001 0.000 0.285 1492 L C 0.493 177.566 176.870 0.339 0.000 1.074 1492 L CA -0.109 54.885 54.840 0.256 0.000 0.817 1492 L CB 0.457 42.597 42.059 0.135 0.000 1.168 1492 L HN 0.702 nan 8.230 nan 0.000 0.434 1493 G N 5.519 114.560 108.800 0.401 0.000 2.343 1493 G HA2 0.565 4.526 3.960 0.001 0.000 0.319 1493 G HA3 0.565 4.526 3.960 0.001 0.000 0.319 1493 G C -1.367 173.631 174.900 0.163 0.000 1.126 1493 G CA -0.376 44.895 45.100 0.285 0.000 0.889 1493 G HN 0.594 nan 8.290 nan 0.000 0.457 1494 I N 1.134 121.691 120.570 -0.022 0.000 2.571 1494 I HA 0.414 4.584 4.170 0.001 0.000 0.289 1494 I C -0.045 176.018 176.117 -0.089 0.000 1.115 1494 I CA -0.807 60.511 61.300 0.029 0.000 1.045 1494 I CB 1.712 39.737 38.000 0.043 0.000 1.238 1494 I HN 0.497 nan 8.210 nan 0.000 0.424 1495 R N 7.564 128.026 120.500 -0.063 0.000 2.490 1495 R HA 0.285 4.625 4.340 0.001 0.000 0.280 1495 R C -1.775 174.420 176.300 -0.174 0.000 1.077 1495 R CA -1.288 54.678 56.100 -0.224 0.000 1.065 1495 R CB 0.227 30.272 30.300 -0.424 0.000 1.003 1495 R HN 0.405 nan 8.270 nan 0.000 0.470 1496 P HA -0.182 nan 4.420 nan 0.000 0.218 1496 P C 0.234 177.425 177.300 -0.181 0.000 1.146 1496 P CA 1.277 64.279 63.100 -0.163 0.000 0.813 1496 P CB 0.310 31.877 31.700 -0.222 0.000 0.778 1497 E N -1.714 118.342 120.200 -0.239 0.000 2.106 1497 E HA -0.168 4.183 4.350 0.001 0.000 0.192 1497 E C 1.603 178.169 176.600 -0.057 0.000 0.984 1497 E CA 1.139 57.412 56.400 -0.212 0.000 0.806 1497 E CB -0.794 28.741 29.700 -0.275 0.000 0.750 1497 E HN 0.555 nan 8.360 nan 0.000 0.458 1498 H N -0.670 118.428 119.070 0.048 0.000 2.563 1498 H HA 0.194 4.751 4.556 0.001 0.000 0.264 1498 H C -0.018 175.362 175.328 0.088 0.000 0.957 1498 H CA -0.589 55.498 56.048 0.066 0.000 1.173 1498 H CB 0.259 30.048 29.762 0.045 0.000 1.420 1498 H HN 0.002 nan 8.280 nan 0.000 0.551 1499 L N 2.585 123.944 121.223 0.226 0.000 2.462 1499 L HA 0.032 4.372 4.340 0.001 0.000 0.272 1499 L C -0.203 176.829 176.870 0.270 0.000 1.166 1499 L CA 0.013 54.995 54.840 0.236 0.000 0.880 1499 L CB 0.539 42.777 42.059 0.299 0.000 1.142 1499 L HN 0.154 nan 8.230 nan 0.000 0.473 1500 L N 5.224 126.532 121.223 0.142 0.000 2.421 1500 L HA 0.417 4.758 4.340 0.001 0.000 0.263 1500 L C -2.039 174.838 176.870 0.013 0.000 1.122 1500 L CA -1.998 52.904 54.840 0.102 0.000 0.804 1500 L CB 0.482 42.577 42.059 0.060 0.000 1.150 1500 L HN 0.370 nan 8.230 nan 0.000 0.457 1501 P HA 0.158 nan 4.420 nan 0.000 0.274 1501 P C 0.368 177.619 177.300 -0.081 0.000 1.237 1501 P CA -0.114 62.940 63.100 -0.076 0.000 0.793 1501 P CB 0.650 32.333 31.700 -0.028 0.000 0.977 1502 S N 1.523 117.142 115.700 -0.134 0.000 2.380 1502 S HA -0.298 4.173 4.470 0.001 0.000 0.229 1502 S C 1.924 176.481 174.600 -0.070 0.000 1.050 1502 S CA 2.726 60.861 58.200 -0.108 0.000 1.100 1502 S CB -2.169 60.939 63.200 -0.153 0.000 0.984 1502 S HN 0.622 nan 8.310 nan 0.000 0.434 1503 D N -0.020 120.337 120.400 -0.072 0.000 2.354 1503 D HA 0.286 4.927 4.640 0.001 0.000 0.216 1503 D C 1.827 178.112 176.300 -0.026 0.000 0.970 1503 D CA 2.186 56.157 54.000 -0.047 0.000 0.905 1503 D CB -1.090 39.682 40.800 -0.047 0.000 0.903 1503 D HN 0.886 nan 8.370 nan 0.000 0.508 1504 I N -0.265 120.293 120.570 -0.020 0.000 2.512 1504 I HA 0.663 4.833 4.170 0.001 0.000 0.247 1504 I C 2.185 178.303 176.117 0.000 0.000 1.094 1504 I CA 1.116 62.414 61.300 -0.003 0.000 1.427 1504 I CB -0.916 37.090 38.000 0.009 0.000 1.149 1504 I HN 0.630 nan 8.210 nan 0.000 0.438 1505 A N 0.467 123.287 122.820 -0.001 0.000 2.257 1505 A HA 0.526 4.846 4.320 0.001 0.000 0.290 1505 A C 1.354 178.940 177.584 0.004 0.000 1.201 1505 A CA 0.754 52.794 52.037 0.005 0.000 0.863 1505 A CB -0.533 18.471 19.000 0.008 0.000 1.256 1505 A HN 0.851 nan 8.150 nan 0.000 0.506 1506 D N -1.515 118.891 120.400 0.010 0.000 2.431 1506 D HA 0.349 4.990 4.640 0.001 0.000 0.235 1506 D C 0.392 176.698 176.300 0.011 0.000 0.980 1506 D CA 0.909 54.916 54.000 0.012 0.000 0.912 1506 D CB -0.285 40.528 40.800 0.021 0.000 1.056 1506 D HN 0.377 nan 8.370 nan 0.000 0.494 1507 V N 1.141 121.062 119.914 0.013 0.000 2.372 1507 V HA 0.581 4.701 4.120 0.001 0.000 0.261 1507 V C 0.459 176.556 176.094 0.005 0.000 1.055 1507 V CA -0.279 62.027 62.300 0.010 0.000 0.930 1507 V CB -0.065 31.765 31.823 0.013 0.000 1.031 1507 V HN 0.655 nan 8.190 nan 0.000 0.479 1508 I N 5.754 126.324 120.570 0.000 0.000 2.562 1508 I HA 0.911 5.081 4.170 0.001 0.000 0.301 1508 I C -0.542 175.573 176.117 -0.003 0.000 1.003 1508 I CA -0.975 60.322 61.300 -0.006 0.000 1.127 1508 I CB 1.635 39.627 38.000 -0.014 0.000 1.304 1508 I HN 0.640 nan 8.210 nan 0.000 0.446 1509 L N 2.755 123.976 121.223 -0.002 0.000 2.393 1509 L HA 0.954 5.295 4.340 0.001 0.000 0.260 1509 L C 0.152 177.027 176.870 0.009 0.000 1.002 1509 L CA -0.797 54.047 54.840 0.006 0.000 0.818 1509 L CB 1.681 43.748 42.059 0.014 0.000 1.369 1509 L HN 0.994 nan 8.230 nan 0.000 0.412 1510 E N 0.128 120.338 120.200 0.016 0.000 2.383 1510 E HA 0.877 5.228 4.350 0.001 0.000 0.275 1510 E C -0.698 175.925 176.600 0.039 0.000 0.918 1510 E CA -0.226 56.189 56.400 0.025 0.000 0.764 1510 E CB 2.383 32.087 29.700 0.005 0.000 1.252 1510 E HN 1.049 nan 8.360 nan 0.000 0.449 1511 G N -1.352 107.485 108.800 0.061 0.000 2.495 1511 G HA2 0.708 4.668 3.960 0.001 0.000 0.294 1511 G HA3 0.708 4.668 3.960 0.001 0.000 0.294 1511 G C -0.865 174.082 174.900 0.079 0.000 1.397 1511 G CA 0.426 45.561 45.100 0.059 0.000 0.790 1511 G HN 1.108 nan 8.290 nan 0.000 0.486 1512 E N -0.494 119.743 120.200 0.062 0.000 2.197 1512 E HA 0.610 4.960 4.350 0.001 0.000 0.281 1512 E C 0.032 176.669 176.600 0.063 0.000 0.995 1512 E CA -0.736 55.703 56.400 0.065 0.000 0.808 1512 E CB 1.564 31.290 29.700 0.044 0.000 1.093 1512 E HN 1.104 nan 8.360 nan 0.000 0.394 1513 V N 3.645 123.603 119.914 0.073 0.000 2.521 1513 V HA 0.020 4.141 4.120 0.001 0.000 0.286 1513 V C 1.140 177.257 176.094 0.037 0.000 1.034 1513 V CA -0.200 62.129 62.300 0.048 0.000 1.045 1513 V CB 1.070 32.920 31.823 0.045 0.000 0.974 1513 V HN 0.911 nan 8.190 nan 0.000 0.480 1514 Q N 3.242 123.064 119.800 0.036 0.000 2.226 1514 Q HA 0.201 4.542 4.340 0.001 0.000 0.199 1514 Q C 0.007 176.006 176.000 -0.001 0.000 0.945 1514 Q CA 0.864 56.677 55.803 0.017 0.000 0.861 1514 Q CB 0.988 29.734 28.738 0.014 0.000 0.953 1514 Q HN 0.588 nan 8.270 nan 0.000 0.490 1515 V N 1.133 121.058 119.914 0.019 0.000 2.623 1515 V HA 0.301 4.422 4.120 0.001 0.000 0.304 1515 V C -0.737 175.386 176.094 0.049 0.000 1.054 1515 V CA -0.646 61.649 62.300 -0.009 0.000 0.882 1515 V CB 2.327 34.050 31.823 -0.167 0.000 1.002 1515 V HN -0.190 nan 8.190 nan 0.000 0.424 1516 V N 3.717 123.643 119.914 0.020 0.000 2.293 1516 V HA 0.416 4.536 4.120 0.001 0.000 0.275 1516 V C -0.127 175.976 176.094 0.014 0.000 1.021 1516 V CA -0.592 61.718 62.300 0.017 0.000 0.815 1516 V CB 1.345 33.175 31.823 0.011 0.000 1.025 1516 V HN 0.887 nan 8.190 nan 0.000 0.448 1517 E N 3.874 124.091 120.200 0.028 0.000 2.081 1517 E HA 0.317 4.668 4.350 0.001 0.000 0.281 1517 E C -0.377 176.220 176.600 -0.006 0.000 0.986 1517 E CA -0.268 56.139 56.400 0.012 0.000 0.796 1517 E CB 0.676 30.397 29.700 0.036 0.000 1.085 1517 E HN 0.507 nan 8.360 nan 0.000 0.398 1518 Q N 4.725 124.520 119.800 -0.008 0.000 2.331 1518 Q HA 0.249 4.589 4.340 0.001 0.000 0.257 1518 Q C 0.276 176.267 176.000 -0.015 0.000 0.957 1518 Q CA -0.128 55.669 55.803 -0.011 0.000 0.923 1518 Q CB 1.341 30.076 28.738 -0.005 0.000 1.212 1518 Q HN 0.717 nan 8.270 nan 0.000 0.443 1519 L N -0.084 121.127 121.223 -0.021 0.000 2.701 1519 L HA 0.247 4.588 4.340 0.001 0.000 0.238 1519 L C 1.195 178.052 176.870 -0.021 0.000 1.106 1519 L CA 0.522 55.348 54.840 -0.023 0.000 0.898 1519 L CB 0.383 42.423 42.059 -0.031 0.000 1.188 1519 L HN 0.900 nan 8.230 nan 0.000 0.508 1520 G N 2.030 110.819 108.800 -0.019 0.000 3.211 1520 G HA2 -0.341 3.620 3.960 0.001 0.000 0.206 1520 G HA3 -0.341 3.620 3.960 0.001 0.000 0.206 1520 G C 0.668 175.558 174.900 -0.017 0.000 1.418 1520 G CA 0.391 45.483 45.100 -0.015 0.000 0.958 1520 G HN 0.527 nan 8.290 nan 0.000 0.567 1521 N N 1.568 120.254 118.700 -0.023 0.000 2.336 1521 N HA 0.337 5.078 4.740 0.001 0.000 0.189 1521 N C 0.399 175.887 175.510 -0.036 0.000 1.113 1521 N CA 0.817 53.852 53.050 -0.025 0.000 0.858 1521 N CB 0.156 38.627 38.487 -0.025 0.000 0.970 1521 N HN 0.851 nan 8.380 nan 0.000 0.471 1522 E N -0.779 119.394 120.200 -0.044 0.000 2.407 1522 E HA 0.317 4.667 4.350 0.001 0.000 0.279 1522 E C -1.623 174.937 176.600 -0.066 0.000 1.012 1522 E CA -1.064 55.297 56.400 -0.065 0.000 0.800 1522 E CB 1.497 31.148 29.700 -0.082 0.000 1.276 1522 E HN -0.111 nan 8.360 nan 0.000 0.452 1523 T N 1.733 116.232 114.554 -0.092 0.000 2.847 1523 T HA 0.284 4.635 4.350 0.001 0.000 0.291 1523 T C -0.770 173.841 174.700 -0.147 0.000 0.998 1523 T CA -0.696 61.353 62.100 -0.085 0.000 0.967 1523 T CB 1.258 70.098 68.868 -0.047 0.000 0.954 1523 T HN 0.354 nan 8.240 nan 0.000 0.441 1524 Q N 2.850 122.584 119.800 -0.110 0.000 2.314 1524 Q HA 0.456 4.796 4.340 0.001 0.000 0.259 1524 Q C -0.550 175.394 176.000 -0.093 0.000 0.951 1524 Q CA -0.745 54.972 55.803 -0.142 0.000 0.909 1524 Q CB 1.332 30.023 28.738 -0.078 0.000 1.236 1524 Q HN 0.499 nan 8.270 nan 0.000 0.444 1525 I N 3.363 123.831 120.570 -0.170 0.000 2.359 1525 I HA 0.213 4.384 4.170 0.001 0.000 0.284 1525 I C -0.059 175.966 176.117 -0.153 0.000 1.018 1525 I CA -0.467 60.752 61.300 -0.136 0.000 1.173 1525 I CB 0.697 38.546 38.000 -0.252 0.000 1.326 1525 I HN 0.531 nan 8.210 nan 0.000 0.462 1526 H N 7.085 126.102 119.070 -0.088 0.000 2.782 1526 H HA 0.430 4.986 4.556 0.001 0.000 0.285 1526 H C -0.224 175.072 175.328 -0.054 0.000 1.093 1526 H CA -0.227 55.786 56.048 -0.058 0.000 1.410 1526 H CB 1.617 31.352 29.762 -0.045 0.000 1.439 1526 H HN 0.440 nan 8.280 nan 0.000 0.469 1527 I N 3.362 123.947 120.570 0.025 0.000 2.339 1527 I HA 0.029 4.199 4.170 0.001 0.000 0.290 1527 I C 0.550 176.693 176.117 0.043 0.000 0.994 1527 I CA -0.570 60.744 61.300 0.023 0.000 1.191 1527 I CB 1.594 39.597 38.000 0.005 0.000 1.343 1527 I HN 0.363 nan 8.210 nan 0.000 0.458 1528 Q N 7.466 127.294 119.800 0.047 0.000 2.402 1528 Q HA 0.344 4.685 4.340 0.001 0.000 0.238 1528 Q C -0.657 175.366 176.000 0.038 0.000 1.126 1528 Q CA -0.268 55.559 55.803 0.040 0.000 0.904 1528 Q CB 0.567 29.326 28.738 0.034 0.000 1.357 1528 Q HN 0.598 nan 8.270 nan 0.000 0.491 1529 I N 7.676 128.266 120.570 0.035 0.000 2.352 1529 I HA 0.110 4.281 4.170 0.001 0.000 0.290 1529 I C -1.291 174.841 176.117 0.026 0.000 1.036 1529 I CA -1.679 59.640 61.300 0.032 0.000 1.336 1529 I CB 1.320 39.338 38.000 0.030 0.000 1.407 1529 I HN 0.429 nan 8.210 nan 0.000 0.497 1530 P HA -0.026 nan 4.420 nan 0.000 0.221 1530 P C 1.333 178.642 177.300 0.016 0.000 1.155 1530 P CA 0.775 63.886 63.100 0.018 0.000 0.812 1530 P CB 0.308 32.018 31.700 0.016 0.000 0.801 1531 S N 0.776 116.485 115.700 0.015 0.000 2.365 1531 S HA -0.135 4.336 4.470 0.001 0.000 0.221 1531 S C 1.129 175.737 174.600 0.013 0.000 1.037 1531 S CA 1.133 59.340 58.200 0.012 0.000 1.060 1531 S CB -0.998 62.209 63.200 0.012 0.000 0.974 1531 S HN 0.091 nan 8.310 nan 0.000 0.427 1532 I N 1.192 121.772 120.570 0.017 0.000 2.395 1532 I HA 0.341 4.511 4.170 0.001 0.000 0.289 1532 I C 1.346 177.476 176.117 0.021 0.000 1.023 1532 I CA -0.126 61.186 61.300 0.019 0.000 1.350 1532 I CB 0.843 38.857 38.000 0.023 0.000 1.409 1532 I HN 0.131 nan 8.210 nan 0.000 0.507 1533 R N 5.582 126.095 120.500 0.021 0.000 2.362 1533 R HA 0.028 4.369 4.340 0.001 0.000 0.204 1533 R C 0.414 176.728 176.300 0.024 0.000 1.088 1533 R CA 0.818 56.930 56.100 0.020 0.000 1.121 1533 R CB -1.528 28.782 30.300 0.017 0.000 0.954 1533 R HN 0.799 nan 8.270 nan 0.000 0.478 1534 Q N -1.267 118.550 119.800 0.028 0.000 2.544 1534 Q HA 0.448 4.788 4.340 0.001 0.000 0.291 1534 Q C -1.430 174.591 176.000 0.035 0.000 1.068 1534 Q CA -1.159 54.664 55.803 0.033 0.000 0.785 1534 Q CB 1.031 29.794 28.738 0.040 0.000 1.481 1534 Q HN 0.138 nan 8.270 nan 0.000 0.430 1535 N N 0.131 118.855 118.700 0.040 0.000 2.467 1535 N HA 0.486 5.226 4.740 0.001 0.000 0.262 1535 N C -1.348 174.181 175.510 0.031 0.000 1.234 1535 N CA -0.298 52.779 53.050 0.044 0.000 0.952 1535 N CB 0.766 39.293 38.487 0.067 0.000 1.158 1535 N HN 0.547 nan 8.380 nan 0.000 0.463 1536 L N 1.322 122.556 121.223 0.017 0.000 2.446 1536 L HA 0.399 4.739 4.340 0.001 0.000 0.268 1536 L C -1.382 175.457 176.870 -0.051 0.000 0.975 1536 L CA -0.667 54.168 54.840 -0.008 0.000 0.848 1536 L CB 1.463 43.527 42.059 0.008 0.000 1.225 1536 L HN 0.229 nan 8.230 nan 0.000 0.410 1537 V N 5.281 125.122 119.914 -0.122 0.000 2.455 1537 V HA 0.156 4.277 4.120 0.001 0.000 0.273 1537 V C -0.437 175.571 176.094 -0.143 0.000 1.045 1537 V CA -0.219 61.921 62.300 -0.268 0.000 0.976 1537 V CB 0.407 31.988 31.823 -0.404 0.000 0.993 1537 V HN 0.653 nan 8.190 nan 0.000 0.475 1538 Y N 6.348 126.489 120.300 -0.264 0.000 2.420 1538 Y HA 0.743 5.293 4.550 0.001 0.000 0.334 1538 Y C -0.085 175.695 175.900 -0.201 0.000 1.094 1538 Y CA -1.105 56.876 58.100 -0.198 0.000 1.126 1538 Y CB 1.208 39.555 38.460 -0.189 0.000 1.217 1538 Y HN 0.600 nan 8.280 nan 0.000 0.462 1539 R N 4.008 123.911 120.500 -0.995 0.000 2.725 1539 R HA 0.456 4.797 4.340 0.001 0.000 0.277 1539 R C -1.818 173.933 176.300 -0.915 0.000 0.987 1539 R CA -0.805 54.801 56.100 -0.823 0.000 0.901 1539 R CB 2.085 32.137 30.300 -0.413 0.000 1.207 1539 R HN 0.932 nan 8.270 nan 0.000 0.463 1540 Q N 1.244 120.716 119.800 -0.548 0.000 2.391 1540 Q HA 0.319 4.659 4.340 0.001 0.000 0.279 1540 Q C -1.498 174.418 176.000 -0.139 0.000 1.028 1540 Q CA -0.956 54.686 55.803 -0.268 0.000 0.836 1540 Q CB 1.812 30.472 28.738 -0.131 0.000 1.414 1540 Q HN 0.530 nan 8.270 nan 0.000 0.397 1541 N N 1.081 119.736 118.700 -0.074 0.000 2.492 1541 N HA 0.368 5.109 4.740 0.001 0.000 0.262 1541 N C -0.136 175.358 175.510 -0.027 0.000 1.202 1541 N CA 1.558 54.579 53.050 -0.049 0.000 0.926 1541 N CB 0.300 38.769 38.487 -0.030 0.000 1.078 1541 N HN 0.899 nan 8.380 nan 0.000 0.454 1547 E N 2.466 122.713 120.200 0.078 0.000 2.285 1547 E HA 0.747 5.098 4.350 0.001 0.000 0.254 1547 E C -0.098 176.535 176.600 0.054 0.000 1.011 1547 E CA -0.775 55.656 56.400 0.053 0.000 0.873 1547 E CB 0.903 30.627 29.700 0.039 0.000 1.229 1547 E HN 0.790 nan 8.360 nan 0.000 0.422 1548 E N -0.688 119.534 120.200 0.036 0.000 2.360 1548 E HA 0.412 4.763 4.350 0.001 0.000 0.269 1548 E C 0.716 177.337 176.600 0.036 0.000 1.022 1548 E CA 1.106 57.525 56.400 0.032 0.000 0.887 1548 E CB 0.916 30.626 29.700 0.016 0.000 0.990 1548 E HN 0.975 nan 8.360 nan 0.000 0.426 1549 G N 2.266 111.091 108.800 0.042 0.000 2.784 1549 G HA2 -0.268 3.692 3.960 0.001 0.000 0.204 1549 G HA3 -0.268 3.692 3.960 0.001 0.000 0.204 1549 G C 0.403 175.335 174.900 0.053 0.000 1.300 1549 G CA -0.290 44.834 45.100 0.040 0.000 0.863 1549 G HN 0.837 nan 8.290 nan 0.000 0.541 1550 A N 1.315 124.173 122.820 0.064 0.000 2.520 1550 A HA 0.654 4.975 4.320 0.001 0.000 0.235 1550 A C 1.014 178.656 177.584 0.096 0.000 1.065 1550 A CA 1.873 53.951 52.037 0.068 0.000 0.764 1550 A CB -0.429 18.611 19.000 0.068 0.000 1.002 1550 A HN 2.258 nan 8.150 nan 0.000 0.502 1551 T N 1.062 115.656 114.554 0.067 0.000 2.817 1551 T HA 0.452 4.802 4.350 0.001 0.000 0.295 1551 T C -0.265 174.488 174.700 0.089 0.000 0.958 1551 T CA 0.427 62.569 62.100 0.070 0.000 1.157 1551 T CB -0.331 68.552 68.868 0.025 0.000 0.898 1551 T HN 0.505 nan 8.240 nan 0.000 0.536 1552 F N 2.343 122.281 119.950 -0.021 0.000 2.497 1552 F HA 0.658 5.186 4.527 0.001 0.000 0.331 1552 F C 0.153 175.916 175.800 -0.063 0.000 1.060 1552 F CA -0.712 57.262 58.000 -0.044 0.000 0.989 1552 F CB 1.799 40.773 39.000 -0.043 0.000 1.245 1552 F HN 0.679 nan 8.300 nan 0.000 0.486 1553 A N 3.027 125.768 122.820 -0.132 0.000 2.402 1553 A HA 0.776 5.096 4.320 0.001 0.000 0.291 1553 A C -1.282 176.268 177.584 -0.057 0.000 1.051 1553 A CA -0.126 51.871 52.037 -0.066 0.000 0.716 1553 A CB 0.501 19.422 19.000 -0.132 0.000 1.223 1553 A HN 1.202 nan 8.150 nan 0.000 0.425 1554 I N 0.766 121.334 120.570 -0.003 0.000 2.474 1554 I HA 0.899 5.069 4.170 0.001 0.000 0.294 1554 I C 0.474 176.574 176.117 -0.030 0.000 1.005 1554 I CA -0.340 60.930 61.300 -0.051 0.000 1.113 1554 I CB 1.609 39.575 38.000 -0.056 0.000 1.289 1554 I HN 1.208 nan 8.210 nan 0.000 0.436 1555 G N 3.196 111.980 108.800 -0.028 0.000 2.332 1555 G HA2 0.607 4.567 3.960 0.001 0.000 0.310 1555 G HA3 0.607 4.567 3.960 0.001 0.000 0.310 1555 G C -0.742 174.170 174.900 0.020 0.000 1.123 1555 G CA -0.351 44.747 45.100 -0.003 0.000 0.873 1555 G HN 1.344 nan 8.290 nan 0.000 0.460 1556 L N 4.774 126.009 121.223 0.020 0.000 2.265 1556 L HA 0.516 4.857 4.340 0.001 0.000 0.289 1556 L C -2.113 174.769 176.870 0.020 0.000 1.033 1556 L CA -2.145 52.712 54.840 0.028 0.000 0.814 1556 L CB 2.148 44.222 42.059 0.025 0.000 1.203 1556 L HN 0.261 nan 8.230 nan 0.000 0.423 1557 P HA 0.313 nan 4.420 nan 0.000 0.292 1557 P C -2.370 174.912 177.300 -0.029 0.000 1.326 1557 P CA -1.825 61.270 63.100 -0.007 0.000 0.787 1557 P CB 1.018 32.706 31.700 -0.020 0.000 0.903 1558 P HA -0.187 nan 4.420 nan 0.000 0.218 1558 P C 0.900 178.166 177.300 -0.057 0.000 1.148 1558 P CA 1.551 64.646 63.100 -0.008 0.000 0.822 1558 P CB 0.177 31.900 31.700 0.038 0.000 0.784 1559 E N 0.145 120.279 120.200 -0.111 0.000 2.153 1559 E HA -0.120 4.231 4.350 0.001 0.000 0.194 1559 E C 1.654 178.024 176.600 -0.383 0.000 0.988 1559 E CA 0.897 57.150 56.400 -0.245 0.000 0.811 1559 E CB -0.455 29.026 29.700 -0.365 0.000 0.746 1559 E HN 0.292 nan 8.360 nan 0.000 0.466 1560 R N -0.082 120.233 120.500 -0.308 0.000 2.586 1560 R HA 0.268 4.609 4.340 0.001 0.000 0.336 1560 R C -0.762 175.408 176.300 -0.216 0.000 1.060 1560 R CA -0.365 55.532 56.100 -0.339 0.000 1.079 1560 R CB 0.370 30.430 30.300 -0.400 0.000 1.317 1560 R HN 0.083 nan 8.270 nan 0.000 0.568 1561 C N 1.017 120.211 119.300 -0.177 0.000 2.388 1561 C HA 0.332 4.793 4.460 0.001 0.000 0.362 1561 C C 0.419 175.288 174.990 -0.203 0.000 1.266 1561 C CA -0.734 58.230 59.018 -0.091 0.000 2.028 1561 C CB -0.018 27.707 27.740 -0.025 0.000 2.440 1561 C HN 0.462 nan 8.230 nan 0.000 0.547 1562 H N 1.158 120.204 119.070 -0.040 0.000 2.488 1562 H HA 0.699 5.256 4.556 0.001 0.000 0.347 1562 H C -0.457 174.726 175.328 -0.242 0.000 1.174 1562 H CA -0.456 55.491 56.048 -0.168 0.000 1.307 1562 H CB 0.747 30.426 29.762 -0.138 0.000 1.517 1562 H HN 0.487 nan 8.280 nan 0.000 0.554 1563 L N 2.549 123.554 121.223 -0.364 0.000 2.439 1563 L HA 0.440 4.780 4.340 0.001 0.000 0.270 1563 L C -1.875 174.731 176.870 -0.440 0.000 0.972 1563 L CA -0.280 54.409 54.840 -0.251 0.000 0.836 1563 L CB 0.546 42.552 42.059 -0.088 0.000 1.255 1563 L HN 0.484 nan 8.230 nan 0.000 0.404 1564 F N 3.527 123.558 119.950 0.135 0.000 2.495 1564 F HA 0.639 5.166 4.527 0.001 0.000 0.327 1564 F C 0.619 176.456 175.800 0.062 0.000 1.103 1564 F CA -0.733 57.328 58.000 0.101 0.000 0.949 1564 F CB 1.612 40.666 39.000 0.089 0.000 1.142 1564 F HN 0.343 nan 8.300 nan 0.000 0.457 1565 R N 0.623 121.255 120.500 0.219 0.000 2.738 1565 R HA 0.368 4.708 4.340 0.001 0.000 0.275 1565 R C 1.491 177.857 176.300 0.110 0.000 1.121 1565 R CA 0.363 56.541 56.100 0.131 0.000 1.207 1565 R CB 0.164 30.523 30.300 0.098 0.000 1.141 1565 R HN 0.865 nan 8.270 nan 0.000 0.571 1566 E N 1.350 121.590 120.200 0.067 0.000 2.118 1566 E HA -0.227 4.124 4.350 0.001 0.000 0.195 1566 E C 1.357 177.974 176.600 0.027 0.000 0.992 1566 E CA 1.897 58.320 56.400 0.039 0.000 0.804 1566 E CB -0.832 28.884 29.700 0.028 0.000 0.741 1566 E HN 0.822 nan 8.360 nan 0.000 0.458 1567 D N -1.932 118.492 120.400 0.039 0.000 2.219 1567 D HA 0.167 4.808 4.640 0.001 0.000 0.205 1567 D C 1.662 177.980 176.300 0.030 0.000 0.970 1567 D CA 1.860 55.879 54.000 0.030 0.000 0.851 1567 D CB -0.039 40.784 40.800 0.038 0.000 0.943 1567 D HN 0.937 nan 8.370 nan 0.000 0.488 1568 G N -0.473 108.363 108.800 0.059 0.000 2.545 1568 G HA2 -0.196 3.765 3.960 0.001 0.000 0.195 1568 G HA3 -0.196 3.765 3.960 0.001 0.000 0.195 1568 G C 0.526 175.537 174.900 0.185 0.000 1.009 1568 G CA 0.213 45.345 45.100 0.053 0.000 0.703 1568 G HN 0.720 nan 8.290 nan 0.000 0.479 1569 T N 0.068 114.735 114.554 0.189 0.000 2.855 1569 T HA 0.611 4.962 4.350 0.001 0.000 0.314 1569 T C 0.407 175.297 174.700 0.317 0.000 1.077 1569 T CA 0.747 62.987 62.100 0.233 0.000 1.095 1569 T CB 1.876 70.831 68.868 0.145 0.000 0.987 1569 T HN 1.733 nan 8.240 nan 0.000 0.546 1570 A N 0.992 123.971 122.820 0.265 0.000 2.317 1570 A HA 0.570 4.891 4.320 0.001 0.000 0.327 1570 A C 0.329 177.923 177.584 0.017 0.000 1.178 1570 A CA -0.971 51.101 52.037 0.059 0.000 0.817 1570 A CB 0.495 19.508 19.000 0.020 0.000 1.189 1570 A HN 1.074 nan 8.150 nan 0.000 0.489 1571 C N 2.236 121.506 119.300 -0.051 0.000 2.627 1571 C HA 0.373 4.833 4.460 0.001 0.000 0.404 1571 C C 1.140 176.130 174.990 0.000 0.000 1.340 1571 C CA -0.329 58.682 59.018 -0.010 0.000 1.758 1571 C CB -0.965 26.767 27.740 -0.013 0.000 2.501 1571 C HN 0.952 nan 8.230 nan 0.000 0.588 1572 R N 3.366 123.886 120.500 0.033 0.000 2.504 1572 R HA -0.003 4.338 4.340 0.001 0.000 0.291 1572 R C 0.320 176.660 176.300 0.066 0.000 0.974 1572 R CA 0.859 56.992 56.100 0.056 0.000 1.077 1572 R CB 0.115 30.430 30.300 0.024 0.000 0.926 1572 R HN 0.665 nan 8.270 nan 0.000 0.407 1573 R N 4.879 125.464 120.500 0.143 0.000 2.442 1573 R HA 0.063 4.403 4.340 0.001 0.000 0.291 1573 R C 0.525 176.925 176.300 0.166 0.000 1.069 1573 R CA -0.075 56.124 56.100 0.165 0.000 1.022 1573 R CB 0.539 30.978 30.300 0.233 0.000 0.976 1573 R HN 0.707 nan 8.270 nan 0.000 0.443 1574 L N 1.359 122.653 121.223 0.118 0.000 2.408 1574 L HA 0.058 4.398 4.340 0.001 0.000 0.215 1574 L C 1.312 178.243 176.870 0.103 0.000 1.081 1574 L CA 0.041 54.923 54.840 0.071 0.000 0.840 1574 L CB -0.204 41.876 42.059 0.035 0.000 1.002 1574 L HN 0.586 nan 8.230 nan 0.000 0.468 1575 H N 2.858 121.965 119.070 0.062 0.000 3.125 1575 H HA 0.023 4.580 4.556 0.001 0.000 0.310 1575 H C -0.111 175.283 175.328 0.110 0.000 0.980 1575 H CA 0.564 56.639 56.048 0.045 0.000 1.422 1575 H CB 0.626 30.385 29.762 -0.004 0.000 1.432 1575 H HN 0.045 nan 8.280 nan 0.000 0.577 1576 K N 6.270 126.513 120.400 -0.262 0.000 2.250 1576 K HA 0.152 4.473 4.320 0.001 0.000 0.280 1576 K C 0.043 176.585 176.600 -0.097 0.000 1.098 1576 K CA -0.706 55.536 56.287 -0.075 0.000 0.916 1576 K CB 0.127 32.561 32.500 -0.109 0.000 1.209 1576 K HN 0.672 nan 8.250 nan 0.000 0.461 1577 E N 4.108 124.342 120.200 0.056 0.000 2.257 1577 E HA 0.138 4.488 4.350 0.001 0.000 0.278 1577 E C -1.999 174.563 176.600 -0.062 0.000 1.049 1577 E CA -1.711 54.627 56.400 -0.104 0.000 0.876 1577 E CB 0.795 30.127 29.700 -0.614 0.000 1.035 1577 E HN 0.564 nan 8.360 nan 0.000 0.419 1578 P HA 0.121 nan 4.420 nan 0.000 0.264 1578 P C 0.375 177.695 177.300 0.033 0.000 1.193 1578 P CA 0.390 63.492 63.100 0.004 0.000 0.763 1578 P CB 0.634 32.339 31.700 0.010 0.000 0.810 1579 G N 0.000 108.833 108.800 0.055 0.000 5.446 1579 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 1579 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 1579 G CA 0.000 45.150 45.100 0.083 0.000 0.502 1579 G HN 0.000 nan 8.290 nan 0.000 0.925